 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      10.63329    4.43487    4.88678
C     -11.49731    0.50116    0.40322
C     -10.63329   -4.43487   -4.88678
C      11.49731   -0.50116   -0.40322
C      10.02452    2.41073    6.30113
C     -10.88854   -1.52298   -1.01113
C     -10.02452   -2.41073   -6.30113
C      10.88854    1.52298    1.01113
C       9.64055    3.84970    5.86599
C     -10.50457   -0.08400   -0.57600
C      -9.64055   -3.84970   -5.86599
C      10.50457    0.08400    0.57600
C       3.09955    3.98370    6.04099
C      -3.96357    0.05000   -0.75100
C      -3.09955   -3.98370   -6.04099
C       3.96357   -0.05000    0.75100
C       1.77156    3.27770    3.99099
C      -2.63558   -0.65600    1.29900
C      -1.77156   -3.27770   -3.99099
C       2.63558    0.65600   -1.29900
C       3.18056    3.30870    4.64699
C      -4.04457   -0.62500    0.64300
C      -3.18056   -3.30870   -4.64699
C       4.04457    0.62500   -0.64300
C       4.18956    4.03070    3.70699
C      -5.05358    0.09700    1.58300
C      -4.18956   -4.03070   -3.70699
C       5.05358   -0.09700   -1.58300
C       7.67156    2.76170    4.66299
C      -8.53557   -1.17200    0.62700
C      -7.67156   -2.76170   -4.66299
C       8.53557    1.17200   -0.62700
C       6.37156    2.81170    4.14399
C      -7.23558   -1.12200    1.14600
C      -6.37156   -2.81170   -4.14399
C       7.23558    1.12200   -1.14600
C       8.23656    3.88970    5.28799
C      -9.10057   -0.04400    0.00200
C      -8.23656   -3.88970   -5.28799
C       9.10057    0.04400   -0.00200
C       7.46856    5.06170    5.38799
C      -8.33257    1.12800   -0.09800
C      -7.46856   -5.06170   -5.38799
C       8.33257   -1.12800    0.09800
C       5.60856    3.99270    4.23499
C      -6.47258    0.05900    1.05500
C      -5.60856   -3.99270   -4.23499
C       6.47258   -0.05900   -1.05500
C       6.16856    5.11470    4.86899
C      -7.03257    1.18100    0.42100
C      -6.16856   -5.11470   -4.86899
C       7.03257   -1.18100   -0.42100
H      11.49442    6.15871    4.32318
H     -12.35844    2.22501    0.96681
H     -11.49442   -6.15871   -4.32318
H      12.35844   -2.22501   -0.96681
H      10.02143    1.73334    5.44579
H     -10.88545   -2.20036   -0.15580
H     -10.02143   -1.73334   -5.44579
H      10.88545    2.20036    0.15580
H      11.02274    2.41456    6.74546
H     -11.88676   -1.51915   -1.45547
H     -11.02274   -2.41456   -6.74546
H      11.88676    1.51915    1.45547
H       9.31166    2.04653    7.04396
H     -10.17567   -1.88718   -1.75396
H      -9.31166   -2.04653   -7.04396
H      10.17567    1.88718    1.75396
H       9.90255    4.84670    6.22899
H     -10.76657    0.91300   -0.93900
H      -9.90255   -4.84670   -6.22899
H      10.76657   -0.91300    0.93900
H       2.35355    3.47470    6.65400
H      -3.21757   -0.45900   -1.36400
H      -2.35355   -3.47470   -6.65400
H       3.21757    0.45900    1.36400
H       4.06155    3.91770    6.54699
H      -4.92557   -0.01600   -1.25700
H      -4.06155   -3.91770   -6.54699
H       4.92557    0.01600    1.25700
H       2.81855    5.03070    5.93799
H      -3.68257    1.09700   -0.64800
H      -2.81855   -5.03070   -5.93799
H       3.68257   -1.09700    0.64800
H       1.82556    2.76770    3.02499
H      -2.68958   -1.16600    2.26500
H      -1.82556   -2.76770   -3.02499
H       2.68958    1.16600   -2.26500
H       1.07556    2.73670    4.63199
H      -1.93957   -1.19700    0.65800
H      -1.07556   -2.73670   -4.63199
H       1.93957    1.19700   -0.65800
H       1.40256    4.28670    3.83799
H      -2.26658    0.35300    1.45200
H      -1.40256   -4.28670   -3.83799
H       2.26658   -0.35300   -1.45200
H       3.50856    2.27470    4.78499
H      -4.37257   -1.65900    0.50500
H      -3.50856   -2.27470   -4.78499
H       4.37257    1.65900   -0.50500
H       3.88056    5.06770    3.56599
H      -4.74458    1.13400    1.72400
H      -3.88056   -5.06770   -3.56599
H       4.74458   -1.13400   -1.72400
H       4.17756    3.54270    2.72499
H      -5.04158   -0.39100    2.56500
H      -4.17756   -3.54270   -2.72499
H       5.04158    0.39100   -2.56500
H       8.21856    1.86770    4.58499
H      -9.08257   -2.06600    0.70500
H      -8.21856   -1.86770   -4.58499
H       9.08257    2.06600   -0.70500
H       5.96456    1.95870    3.68499
H      -6.82858   -1.97500    1.60500
H      -5.96456   -1.95870   -3.68499
H       6.82858    1.97500   -1.60500
H       7.86556    5.91470    5.85999
H      -8.72957    1.98100   -0.57000
H      -7.86555   -5.91470   -5.85999
H       8.72957   -1.98100    0.57000
H       5.61156    5.99970    4.95999
H      -6.47557    2.06600    0.33000
H      -5.61156   -5.99970   -4.95999
H       6.47557   -2.06600   -0.33000
O      11.25533    3.72084    4.10384
O     -12.11935   -0.21286    1.18615
O     -11.25533   -3.72084   -4.10384
O      12.11935    0.21286   -1.18615
O      10.86950    5.76581    4.90592
O     -11.73352    1.83211    0.38408
O     -10.86950   -5.76581   -4.90592
O      11.73352   -1.83211   -0.38408
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.53293   -2.51308    2.50044
C      -7.39695    1.42062    2.78955
C      -6.53293    2.51308   -2.50044
C       7.39695   -1.42062   -2.78955
C       5.92416   -4.53722    3.91480
C      -6.78818   -0.60352    1.37520
C      -5.92416    4.53722   -3.91480
C       6.78818    0.60352   -1.37520
C       5.54019   -3.09824    3.47966
C      -6.40421    0.83545    1.81033
C      -5.54019    3.09824   -3.47966
C       6.40421   -0.83545   -1.81033
C      -1.00081   -2.96424    3.65466
C       0.13679    0.96945    1.63533
C       1.00081    2.96424   -3.65466
C      -0.13679   -0.96945   -1.63533
C      -2.32880   -3.67024    1.60466
C       1.46478    0.26346    3.68533
C       2.32880    3.67024   -1.60466
C      -1.46478   -0.26346   -3.68533
C      -0.91980   -3.63924    2.26066
C       0.05579    0.29446    3.02933
C       0.91980    3.63924   -2.26066
C      -0.05579   -0.29446   -3.02933
C       0.08920   -2.91724    1.32066
C      -0.95322    1.01646    3.96933
C      -0.08920    2.91724   -1.32066
C       0.95322   -1.01646   -3.96933
C       3.57120   -4.18624    2.27666
C      -4.43521   -0.25254    3.01333
C      -3.57120    4.18624   -2.27666
C       4.43521    0.25254   -3.01333
C       2.27120   -4.13624    1.75766
C      -3.13522   -0.20254    3.53233
C      -2.27120    4.13624   -1.75766
C       3.13522    0.20254   -3.53233
C       4.13620   -3.05824    2.90166
C      -5.00021    0.87546    2.38833
C      -4.13620    3.05824   -2.90166
C       5.00021   -0.87546   -2.38833
C       3.36820   -1.88624    3.00166
C      -4.23221    2.04746    2.28833
C      -3.36820    1.88624   -3.00166
C       4.23221   -2.04746   -2.28833
C       1.50820   -2.95524    1.84866
C      -2.37222    0.97846    3.44133
C      -1.50820    2.95524   -1.84866
C       2.37222   -0.97846   -3.44133
C       2.06820   -1.83324    2.48266
C      -2.93221    2.10046    2.80733
C      -2.06820    1.83324   -2.48266
C       2.93221   -2.10046   -2.80733
H       7.39406   -0.78924    1.93685
H      -8.25808    3.14446    3.35314
H      -7.39406    0.78924   -1.93685
H       8.25808   -3.14446   -3.35314
H       5.92107   -5.21460    3.05946
H      -6.78509   -1.28091    2.23053
H      -5.92107    5.21460   -3.05946
H       6.78509    1.28091   -2.23053
H       6.92238   -4.53339    4.35913
H      -7.78640   -0.59970    0.93086
H      -6.92238    4.53339   -4.35913
H       7.78640    0.59970   -0.93086
H       5.21130   -4.90142    4.65762
H      -6.07531   -0.96773    0.63237
H      -5.21130    4.90142   -4.65762
H       6.07531    0.96773   -0.63237
H       5.80219   -2.10124    3.84266
H      -6.66621    1.83245    1.44733
H      -5.80219    2.10124   -3.84266
H       6.66621   -1.83245   -1.44733
H      -1.74681   -3.47324    4.26766
H       0.88279    0.46045    1.02233
H       1.74681    3.47324   -4.26766
H      -0.88279   -0.46045   -1.02233
H      -0.03881   -3.03024    4.16066
H      -0.82521    0.90345    1.12933
H       0.03881    3.03024   -4.16066
H       0.82521   -0.90345   -1.12933
H      -1.28181   -1.91724    3.55166
H       0.41779    2.01645    1.73833
H       1.28181    1.91724   -3.55166
H      -0.41779   -2.01645   -1.73833
H      -2.27480   -4.18024    0.63866
H       1.41078   -0.24654    4.65133
H       2.27480    4.18024   -0.63866
H      -1.41078    0.24654   -4.65133
H      -3.02480   -4.21124    2.24566
H       2.16078   -0.27754    3.04433
H       3.02480    4.21124   -2.24566
H      -2.16078    0.27754   -3.04433
H      -2.69780   -2.66124    1.45166
H       1.83378    1.27246    3.83833
H       2.69780    2.66124   -1.45166
H      -1.83378   -1.27246   -3.83833
H      -0.59180   -4.67324    2.39866
H      -0.27221   -0.73954    2.89133
H       0.59180    4.67324   -2.39866
H       0.27221    0.73954   -2.89133
H      -0.21980   -1.88024    1.17966
H      -0.64422    2.05346    4.11033
H       0.21980    1.88024   -1.17966
H       0.64422   -2.05346   -4.11033
H       0.07720   -3.40524    0.33866
H      -0.94122    0.52846    4.95133
H      -0.07720    3.40524   -0.33866
H       0.94122   -0.52846   -4.95133
H       4.11820   -5.08024    2.19866
H      -4.98221   -1.14654    3.09133
H      -4.11820    5.08024   -2.19866
H       4.98221    1.14654   -3.09133
H       1.86420   -4.98924    1.29866
H      -2.72822   -1.05554    3.99133
H      -1.86420    4.98924   -1.29866
H       2.72822    1.05554   -3.99133
H       3.76519   -1.03324    3.47366
H      -4.62921    2.90045    1.81633
H      -3.76519    1.03324   -3.47366
H       4.62921   -2.90045   -1.81633
H       1.51120   -0.94824    2.57366
H      -2.37521    2.98546    2.71633
H      -1.51120    0.94824   -2.57366
H       2.37521   -2.98546   -2.71633
O       7.15497   -3.22710    1.71751
O      -8.01899    0.70660    3.57248
O      -7.15497    3.22710   -1.71751
O       8.01899   -0.70660   -3.57248
O       6.76915   -1.18213    2.51959
O      -7.63316    2.75156    2.77041
O      -6.76915    1.18213   -2.51959
O       7.63316   -2.75156   -2.77041
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.53293   -2.51308    2.50044
C      -7.39695    1.42062    2.78955
C      -6.53293    2.51308   -2.50044
C       7.39695   -1.42062   -2.78955
C       5.92416   -4.53722    3.91480
C      -6.78818   -0.60352    1.37520
C      -5.92416    4.53722   -3.91480
C       6.78818    0.60352   -1.37520
C       5.54019   -3.09824    3.47966
C      -6.40421    0.83545    1.81033
C      -5.54019    3.09824   -3.47966
C       6.40421   -0.83545   -1.81033
C      -1.19864   -2.82383    3.55015
C       0.33463    1.10987    1.73985
C       1.19865    2.82383   -3.55015
C      -0.33463   -1.10987   -1.73985
C      -2.25174   -3.90732    1.50527
C       1.38772    0.02638    3.78472
C       2.25174    3.90732   -1.50527
C      -1.38772   -0.02638   -3.78473
C      -0.91980   -3.63924    2.26066
C       0.05579    0.29446    3.02933
C       0.91980    3.63924   -2.26066
C      -0.05579   -0.29446   -3.02933
C       0.08920   -2.91724    1.32066
C      -0.95322    1.01646    3.96933
C      -0.08920    2.91724   -1.32066
C       0.95322   -1.01646   -3.96933
C       3.57120   -4.18624    2.27666
C      -4.43521   -0.25254    3.01333
C      -3.57120    4.18624   -2.27666
C       4.43521    0.25254   -3.01333
C       2.27120   -4.13624    1.75766
C      -3.13522   -0.20254    3.53233
C      -2.27120    4.13624   -1.75766
C       3.13522    0.20254   -3.53233
C       4.13620   -3.05824    2.90166
C      -5.00021    0.87546    2.38833
C      -4.13620    3.05824   -2.90166
C       5.00021   -0.87546   -2.38833
C       3.36820   -1.88624    3.00166
C      -4.23221    2.04746    2.28833
C      -3.36820    1.88624   -3.00166
C       4.23221   -2.04746   -2.28833
C       1.50820   -2.95524    1.84866
C      -2.37222    0.97846    3.44133
C      -1.50820    2.95524   -1.84866
C       2.37222   -0.97846   -3.44133
C       2.06820   -1.83324    2.48266
C      -2.93221    2.10046    2.80733
C      -2.06820    1.83324   -2.48266
C       2.93221   -2.10046   -2.80733
H       7.39406   -0.78924    1.93685
H      -8.25808    3.14446    3.35314
H      -7.39406    0.78924   -1.93685
H       8.25808   -3.14446   -3.35314
H       5.92107   -5.21460    3.05946
H      -6.78509   -1.28091    2.23053
H      -5.92107    5.21460   -3.05946
H       6.78509    1.28091   -2.23053
H       6.92238   -4.53339    4.35913
H      -7.78640   -0.59970    0.93086
H      -6.92238    4.53339   -4.35913
H       7.78640    0.59970   -0.93086
H       5.21130   -4.90142    4.65762
H      -6.07531   -0.96773    0.63237
H      -5.21130    4.90142   -4.65762
H       6.07531    0.96773   -0.63237
H       5.80219   -2.10124    3.84266
H      -6.66621    1.83245    1.44733
H      -5.80219    2.10124   -3.84266
H       6.66621   -1.83245   -1.44733
H      -1.93976   -3.34249    4.16097
H       1.07575    0.59121    1.12903
H       1.93976    3.34249   -4.16097
H      -1.07575   -0.59121   -1.12903
H      -0.28538   -2.72019    4.13413
H      -0.57864    1.21351    1.15586
H       0.28538    2.72019   -4.13413
H       0.57864   -1.21351   -1.15586
H      -1.57783   -1.83489    3.29716
H       0.71381    2.09881    1.99284
H       1.57783    1.83489   -3.29716
H      -0.71381   -2.09881   -1.99284
H      -2.05616   -4.51431    0.61674
H       1.19215   -0.58061    4.67326
H       2.05616    4.51431   -0.61674
H      -1.19215    0.58061   -4.67326
H      -2.94254   -4.44860    2.15165
H       2.07852   -0.51490    3.13835
H       2.94254    4.44860   -2.15165
H      -2.07852    0.51490   -3.13835
H      -2.70948   -2.97174    1.20062
H       1.84547    0.96196    4.08938
H       2.70948    2.97174   -1.20062
H      -1.84547   -0.96196   -4.08938
H      -0.59180   -4.67324    2.39866
H      -0.27221   -0.73954    2.89133
H       0.59180    4.67324   -2.39866
H       0.27221    0.73954   -2.89133
H      -0.21980   -1.88024    1.17966
H      -0.64422    2.05346    4.11033
H       0.21980    1.88024   -1.17966
H       0.64422   -2.05346   -4.11033
H       0.07720   -3.40524    0.33866
H      -0.94122    0.52846    4.95133
H      -0.07720    3.40524   -0.33866
H       0.94122   -0.52846   -4.95133
H       4.11820   -5.08024    2.19866
H      -4.98221   -1.14654    3.09133
H      -4.11820    5.08024   -2.19866
H       4.98221    1.14654   -3.09133
H       1.86420   -4.98924    1.29866
H      -2.72822   -1.05554    3.99133
H      -1.86420    4.98924   -1.29866
H       2.72822    1.05554   -3.99133
H       3.76519   -1.03324    3.47366
H      -4.62921    2.90045    1.81633
H      -3.76519    1.03324   -3.47366
H       4.62921   -2.90045   -1.81633
H       1.51120   -0.94824    2.57366
H      -2.37521    2.98546    2.71633
H      -1.51120    0.94824   -2.57366
H       2.37521   -2.98546   -2.71633
O       7.15497   -3.22710    1.71751
O      -8.01899    0.70660    3.57248
O      -7.15497    3.22710   -1.71751
O       8.01899   -0.70660   -3.57248
O       6.76915   -1.18213    2.51959
O      -7.63316    2.75156    2.77041
O      -6.76915    1.18213   -2.51959
O       7.63316   -2.75156   -2.77041
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.53293   -2.51308    2.50044
C      -7.39695    1.42062    2.78955
C      -6.53293    2.51308   -2.50044
C       7.39695   -1.42062   -2.78955
C       5.92416   -4.53722    3.91480
C      -6.78818   -0.60352    1.37520
C      -5.92416    4.53722   -3.91480
C       6.78818    0.60352   -1.37520
C       5.54019   -3.09824    3.47966
C      -6.40421    0.83545    1.81033
C      -5.54019    3.09824   -3.47966
C       6.40421   -0.83545   -1.81033
C      -1.19864   -2.82383    3.55015
C       0.33463    1.10987    1.73985
C       1.19865    2.82383   -3.55015
C      -0.33463   -1.10987   -1.73985
C      -2.25174   -3.90732    1.50527
C       1.38772    0.02638    3.78472
C       2.25174    3.90732   -1.50527
C      -1.38772   -0.02638   -3.78473
C      -0.91980   -3.63924    2.26066
C       0.05579    0.29446    3.02933
C       0.91980    3.63924   -2.26066
C      -0.05579   -0.29446   -3.02933
C       0.08920   -2.91724    1.32066
C      -0.95322    1.01646    3.96933
C      -0.08920    2.91724   -1.32066
C       0.95322   -1.01646   -3.96933
C       3.57120   -4.18624    2.27666
C      -4.43521   -0.25254    3.01333
C      -3.57120    4.18624   -2.27666
C       4.43521    0.25254   -3.01333
C       2.27120   -4.13624    1.75766
C      -3.13522   -0.20254    3.53233
C      -2.27120    4.13624   -1.75766
C       3.13522    0.20254   -3.53233
C       4.13620   -3.05824    2.90166
C      -5.00021    0.87546    2.38833
C      -4.13620    3.05824   -2.90166
C       5.00021   -0.87546   -2.38833
C       3.36820   -1.88624    3.00166
C      -4.23221    2.04746    2.28833
C      -3.36820    1.88624   -3.00166
C       4.23221   -2.04746   -2.28833
C       1.50820   -2.95524    1.84866
C      -2.37222    0.97846    3.44133
C      -1.50820    2.95524   -1.84866
C       2.37222   -0.97846   -3.44133
C       2.06820   -1.83324    2.48266
C      -2.93221    2.10046    2.80733
C      -2.06820    1.83324   -2.48266
C       2.93221   -2.10046   -2.80733
H       7.68964   -0.90643    2.16647
H      -8.55366    3.02726    3.12353
H      -7.68964    0.90643   -2.16647
H       8.55366   -3.02726   -3.12353
H       5.92107   -5.21460    3.05946
H      -6.78509   -1.28091    2.23053
H      -5.92107    5.21460   -3.05946
H       6.78509    1.28091   -2.23053
H       6.92238   -4.53339    4.35913
H      -7.78640   -0.59970    0.93086
H      -6.92238    4.53339   -4.35913
H       7.78640    0.59970   -0.93086
H       5.21130   -4.90142    4.65762
H      -6.07531   -0.96773    0.63237
H      -5.21130    4.90142   -4.65762
H       6.07531    0.96773   -0.63237
H       5.80219   -2.10124    3.84266
H      -6.66621    1.83245    1.44733
H      -5.80219    2.10124   -3.84266
H       6.66621   -1.83245   -1.44733
H      -1.93976   -3.34249    4.16097
H       1.07575    0.59121    1.12903
H       1.93976    3.34249   -4.16097
H      -1.07575   -0.59121   -1.12903
H      -0.28538   -2.72019    4.13413
H      -0.57864    1.21351    1.15586
H       0.28538    2.72019   -4.13413
H       0.57864   -1.21351   -1.15586
H      -1.57783   -1.83489    3.29716
H       0.71381    2.09881    1.99284
H       1.57783    1.83489   -3.29716
H      -0.71381   -2.09881   -1.99284
H      -2.05616   -4.51431    0.61674
H       1.19215   -0.58061    4.67326
H       2.05616    4.51431   -0.61674
H      -1.19215    0.58061   -4.67326
H      -2.94254   -4.44860    2.15165
H       2.07852   -0.51490    3.13835
H       2.94254    4.44860   -2.15165
H      -2.07852    0.51490   -3.13835
H      -2.70948   -2.97174    1.20062
H       1.84547    0.96196    4.08938
H       2.70948    2.97174   -1.20062
H      -1.84547   -0.96196   -4.08938
H      -0.59180   -4.67324    2.39866
H      -0.27221   -0.73954    2.89133
H       0.59180    4.67324   -2.39866
H       0.27221    0.73954   -2.89133
H      -0.21980   -1.88024    1.17966
H      -0.64422    2.05346    4.11033
H       0.21980    1.88024   -1.17966
H       0.64422   -2.05346   -4.11033
H       0.07720   -3.40524    0.33866
H      -0.94122    0.52846    4.95133
H      -0.07720    3.40524   -0.33866
H       0.94122   -0.52846   -4.95133
H       4.11820   -5.08024    2.19866
H      -4.98221   -1.14654    3.09133
H      -4.11820    5.08024   -2.19866
H       4.98221    1.14654   -3.09133
H       1.86420   -4.98924    1.29866
H      -2.72822   -1.05554    3.99133
H      -1.86420    4.98924   -1.29866
H       2.72822    1.05554   -3.99133
H       3.76519   -1.03324    3.47366
H      -4.62921    2.90045    1.81633
H      -3.76519    1.03324   -3.47366
H       4.62921   -2.90045   -1.81633
H       1.51120   -0.94824    2.57366
H      -2.37521    2.98546    2.71633
H      -1.51120    0.94824   -2.57366
H       2.37521   -2.98546   -2.71633
O       6.90090   -3.14175    1.51093
O      -7.76491    0.79195    3.77906
O      -6.90090    3.14175   -1.51093
O       7.76491   -0.79195   -3.77906
O       7.05594   -1.29077    2.74541
O      -7.91996    2.64293    2.54458
O      -7.05594    1.29077   -2.74541
O       7.91996   -2.64293   -2.54458
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       4.27680   -4.86139    5.98566
C      -5.14082   -0.92770   -0.69567
C      -4.27680    4.86139   -5.98566
C       5.14082    0.92770    0.69567
C       3.01230   -2.73542    6.57681
C      -3.87632    1.19826   -1.28682
C      -3.01230    2.73542   -6.57681
C       3.87632   -1.19826    1.28682
C       3.88325   -3.47512    5.52718
C      -4.74727    0.45857   -0.23719
C      -3.88325    3.47512   -5.52718
C       4.74727   -0.45857    0.23719
C       1.83668   -1.29596   -0.51888
C      -2.70070    2.63775    5.80888
C      -1.83668    1.29596    0.51888
C       2.70070   -2.63775   -5.80888
C      -0.32415   -2.39555   -1.28452
C      -0.53987    1.53815    6.57451
C       0.32415    2.39555    1.28452
C       0.53987   -1.53815   -6.57451
C       0.68697   -2.25421   -0.11225
C      -1.55099    1.67950    5.40225
C      -0.68697    2.25421    0.11225
C       1.55099   -1.67950   -5.40225
C       1.21693   -3.65689    0.30560
C      -2.08094    0.27681    4.98440
C      -1.21693    3.65689   -0.30560
C       2.08094   -0.27681   -4.98440
C       1.77648   -3.52911    4.08966
C      -2.64049    0.40458    1.20033
C      -1.77648    3.52911   -4.08966
C       2.64049   -0.40458   -1.20033
C       1.14445   -3.57837    2.84068
C      -2.00847    0.35532    2.44932
C      -1.14445    3.57837   -2.84068
C       2.00847   -0.35532   -2.44932
C       3.18134   -3.53909    4.18178
C      -4.04536    0.39460    1.10822
C      -3.18134    3.53909   -4.18178
C       4.04536   -0.39460   -1.10822
C       3.93527   -3.59081    2.99758
C      -4.79929    0.34289    2.29242
C      -3.93527    3.59081   -2.99758
C       4.79929   -0.34289   -2.29242
C       1.90359   -3.64269    1.65544
C      -2.76761    0.29101    3.63455
C      -1.90359    3.64269   -1.65544
C       2.76761   -0.29101   -3.63455
C       3.30573   -3.64107    1.74725
C      -4.16975    0.29263    3.54275
C      -3.30573    3.64107   -1.74725
C       4.16975   -0.29263   -3.54275
H       5.85856   -6.07270    6.23388
H      -6.72257   -2.13901   -0.94388
H      -5.85856    6.07270   -6.23388
H       6.72257    2.13901    0.94388
H       2.07207   -3.26378    6.74192
H      -2.93609    0.66990   -1.45192
H      -2.07207    3.26378   -6.74192
H       2.93609   -0.66990    1.45192
H       3.55284   -2.67123    7.52422
H      -4.41686    1.26245   -2.23422
H      -3.55284    2.67123   -7.52422
H       4.41686   -1.26245    2.23422
H       2.79365   -1.72364    6.22882
H      -3.65767    2.21005   -0.93883
H      -2.79365    1.72364   -6.22882
H       3.65767   -2.21005    0.93883
H       4.96026   -3.57352    5.36969
H      -5.82428    0.36017   -0.07970
H      -4.96026    3.57352   -5.36969
H       5.82428   -0.36017    0.07970
H       1.42200   -0.33993   -0.84355
H      -2.28602    3.59378    6.13355
H      -1.42200    0.33993    0.84355
H       2.28602   -3.59378   -6.13355
H       2.49255   -1.11388    0.33112
H      -3.35657    2.81982    4.95887
H      -2.49255    1.11388   -0.33112
H       3.35657   -2.81982   -4.95887
H       2.41611   -1.72583   -1.33452
H      -3.28012    2.20788    6.62451
H      -2.41611    1.72583    1.33452
H       3.28012   -2.20788   -6.62451
H      -1.15263   -3.04189   -0.98114
H       0.28862    0.89182    6.27113
H       1.15263    3.04189    0.98114
H      -0.28861   -0.89182   -6.27113
H      -0.72470   -1.41704   -1.54916
H      -0.13931    2.51667    6.83916
H       0.72470    1.41704    1.54916
H       0.13931   -2.51667   -6.83916
H       0.16135   -2.82749   -2.15364
H      -1.02537    1.10622    7.44364
H      -0.16135    2.82749    2.15364
H       1.02537   -1.10622   -7.44364
H       0.00196   -1.89411    0.66032
H      -0.86597    2.03959    4.62968
H      -0.00196    1.89411   -0.66032
H       0.86597   -2.03959   -4.62968
H       1.90961   -4.02687   -0.45206
H      -2.77363   -0.09317    5.74205
H      -1.90961    4.02687    0.45206
H       2.77363    0.09317   -5.74205
H       0.37497   -4.35756    0.35828
H      -1.23899   -0.42386    4.93171
H      -0.37497    4.35756   -0.35828
H       1.23899    0.42386   -4.93171
H       1.18734   -3.47846    4.95851
H      -2.05136    0.45523    0.33149
H      -1.18734    3.47846   -4.95851
H       2.05136   -0.45523   -0.33149
H       0.09502   -3.56542    2.79101
H      -0.95904    0.36827    2.49899
H      -0.09502    3.56542   -2.79101
H       0.95904   -0.36827   -2.49899
H       4.98701   -3.58899    3.04049
H      -5.85103    0.34470    2.24951
H      -4.98701    3.58899   -3.04049
H       5.85103   -0.34470   -2.24951
H       3.88971   -3.67395    0.87567
H      -4.75373    0.25975    4.41432
H      -3.88971    3.67395   -0.87567
H       4.75373   -0.25975   -4.41432
O       3.44479   -5.64621    6.43463
O      -4.30880   -1.71252   -1.14463
O      -3.44479    5.64621   -6.43463
O       4.30880    1.71252    1.14463
O       5.57804   -5.22494    5.93877
O      -6.44205   -1.29125   -0.64877
O      -5.57804    5.22494   -5.93877
O       6.44205    1.29125    0.64877
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.18712   -4.96762    1.04777
C       3.05113   -1.03393   -6.33776
C       2.18712    4.96762   -1.04777
C      -3.05113    1.03393    6.33776
C      -3.45162   -2.84166    1.63892
C       4.31564    1.09203   -6.92891
C       3.45162    2.84166   -1.63892
C      -4.31564   -1.09203    6.92891
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -4.62724   -1.40219   -5.45678
C       5.49125    2.53151    0.16678
C       4.62724    1.40219    5.45678
C      -5.49125   -2.53151   -0.16678
C      -6.78807   -2.50179   -6.22241
C       7.65208    1.43191    0.93242
C       6.78807    2.50179    6.22241
C      -7.65208   -1.43191   -0.93242
C      -5.77695   -2.36044   -5.05015
C       6.64096    1.57326   -0.23985
C       5.77695    2.36044    5.05015
C      -6.64096   -1.57326    0.23985
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -0.60536   -6.17894    1.29598
H       1.46938   -2.24525   -6.58598
H       0.60536    6.17894   -1.29598
H      -1.46938    2.24525    6.58598
H      -4.39185   -3.37002    1.80402
H       5.25587    0.56367   -7.09402
H       4.39185    3.37002   -1.80402
H      -5.25587   -0.56367    7.09402
H      -2.91108   -2.77747    2.58633
H       3.77509    1.15622   -7.87632
H       2.91108    2.77747   -2.58633
H      -3.77509   -1.15622    7.87632
H      -3.67027   -1.82988    1.29093
H       4.53428    2.10381   -6.58092
H       3.67027    1.82988   -1.29093
H      -4.53428   -2.10381    6.58092
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -5.04192   -0.44616   -5.78145
H       5.90594    3.48754    0.49145
H       5.04192    0.44616    5.78145
H      -5.90594   -3.48754   -0.49145
H      -3.97137   -1.22012   -4.60677
H       4.83539    2.71358   -0.68323
H       3.97137    1.22012    4.60677
H      -4.83539   -2.71358    0.68323
H      -4.04781   -1.83206   -6.27241
H       4.91183    2.10164    0.98242
H       4.04781    1.83206    6.27241
H      -4.91183   -2.10164   -0.98242
H      -7.61655   -3.14813   -5.91903
H       8.48057    0.78558    0.62904
H       7.61655    3.14813    5.91903
H      -8.48057   -0.78558   -0.62904
H      -7.18862   -1.52327   -6.48706
H       8.05264    2.41043    1.19706
H       7.18862    1.52327    6.48706
H      -8.05264   -2.41043   -1.19706
H      -6.30257   -2.93373   -7.09153
H       7.16659    0.99998    1.80154
H       6.30257    2.93373    7.09153
H      -7.16659   -0.99998   -1.80154
H      -6.46196   -2.00034   -4.27758
H       7.32598    1.93336   -1.01242
H       6.46196    2.00034    4.27758
H      -7.32598   -1.93336    1.01242
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -3.01913   -5.75244    1.49673
O       3.88315   -1.81876   -6.78673
O       3.01913    5.75244   -1.49673
O      -3.88315    1.81876    6.78673
O      -0.88588   -5.33118    1.00087
O       1.74990   -1.39749   -6.29087
O       0.88588    5.33118   -1.00087
O      -1.74990    1.39749    6.29087
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.18712   -4.96762    1.04777
C       3.05113   -1.03393   -6.33776
C       2.18712    4.96762   -1.04777
C      -3.05113    1.03393    6.33776
C      -3.45162   -2.84166    1.63892
C       4.31564    1.09203   -6.92891
C       3.45162    2.84166   -1.63892
C      -4.31564   -1.09203    6.92891
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -4.62724   -1.40219   -5.45678
C       5.49125    2.53151    0.16678
C       4.62724    1.40219    5.45678
C      -5.49125   -2.53151   -0.16678
C      -6.78807   -2.50179   -6.22241
C       7.65208    1.43191    0.93242
C       6.78807    2.50179    6.22241
C      -7.65208   -1.43191   -0.93242
C      -5.77695   -2.36044   -5.05015
C       6.64096    1.57326   -0.23985
C       5.77695    2.36044    5.05015
C      -6.64096   -1.57326    0.23985
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -0.62484   -6.22113    1.18514
H       1.48885   -2.28744   -6.47513
H       0.62484    6.22113   -1.18514
H      -1.48885    2.28744    6.47513
H      -4.39185   -3.37002    1.80402
H       5.25587    0.56367   -7.09402
H       4.39185    3.37002   -1.80402
H      -5.25587   -0.56367    7.09402
H      -2.91108   -2.77747    2.58633
H       3.77509    1.15622   -7.87632
H       2.91108    2.77747   -2.58633
H      -3.77509   -1.15622    7.87632
H      -3.67027   -1.82988    1.29093
H       4.53428    2.10381   -6.58092
H       3.67027    1.82988   -1.29093
H      -4.53428   -2.10381    6.58092
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -5.04192   -0.44616   -5.78145
H       5.90594    3.48754    0.49145
H       5.04192    0.44616    5.78145
H      -5.90594   -3.48754   -0.49145
H      -3.97137   -1.22012   -4.60677
H       4.83539    2.71358   -0.68323
H       3.97137    1.22012    4.60677
H      -4.83539   -2.71358    0.68323
H      -4.04781   -1.83206   -6.27241
H       4.91183    2.10164    0.98242
H       4.04781    1.83206    6.27241
H      -4.91183   -2.10164   -0.98242
H      -7.61655   -3.14813   -5.91903
H       8.48057    0.78558    0.62904
H       7.61655    3.14813    5.91903
H      -8.48057   -0.78558   -0.62904
H      -7.18862   -1.52327   -6.48706
H       8.05264    2.41043    1.19706
H       7.18862    1.52327    6.48706
H      -8.05264   -2.41043   -1.19706
H      -6.30257   -2.93373   -7.09153
H       7.16659    0.99998    1.80154
H       6.30257    2.93373    7.09153
H      -7.16659   -0.99998   -1.80154
H      -6.46196   -2.00034   -4.27758
H       7.32598    1.93336   -1.01242
H       6.46196    2.00034    4.27758
H      -7.32598   -1.93336    1.01242
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -2.99711   -5.71504    1.59093
O       3.86113   -1.78136   -6.88092
O       2.99711    5.71504   -1.59093
O      -3.86113    1.78136    6.88092
O      -0.90651   -5.37249    0.89368
O       1.77053   -1.43880   -6.18368
O       0.90651    5.37249   -0.89368
O      -1.77053    1.43880    6.18368
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.39813   -4.52358    0.61504
C       2.26215   -0.58989   -5.90503
C       1.39813    4.52358   -0.61504
C      -2.26215    0.58989    5.90503
C      -3.57310   -3.85385    1.75042
C       4.43712    0.07984   -7.04042
C       3.57310    3.85385   -1.75042
C      -4.43712   -0.07984    7.04042
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -4.62724   -1.40219   -5.45678
C       5.49125    2.53151    0.16678
C       4.62724    1.40219    5.45678
C      -5.49125   -2.53151   -0.16678
C      -6.78807   -2.50179   -6.22241
C       7.65208    1.43191    0.93242
C       6.78807    2.50179    6.22241
C      -7.65208   -1.43191   -0.93242
C      -5.77695   -2.36044   -5.05015
C       6.64096    1.57326   -0.23985
C       5.77695    2.36044    5.05015
C      -6.64096   -1.57326    0.23985
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H       0.60328   -4.57941    0.46637
H       0.26073   -0.64572   -5.75636
H      -0.60328    4.57941   -0.46637
H      -0.26073    0.64572    5.75636
H      -3.99873   -4.85523    1.66955
H       4.86275   -0.92154   -6.95954
H       3.99873    4.85523   -1.66955
H      -4.86275    0.92154    6.95954
H      -3.05284   -3.76708    2.70734
H       3.91686    0.16661   -7.99733
H       3.05284    3.76708   -2.70734
H      -3.91686   -0.16661    7.99733
H      -4.38288   -3.12161    1.72412
H       5.24690    0.81208   -7.01412
H       4.38288    3.12161   -1.72412
H      -5.24690   -0.81208    7.01412
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -5.04192   -0.44616   -5.78145
H       5.90594    3.48754    0.49145
H       5.04192    0.44616    5.78145
H      -5.90594   -3.48754   -0.49145
H      -3.97137   -1.22012   -4.60677
H       4.83539    2.71358   -0.68323
H       3.97137    1.22012    4.60677
H      -4.83539   -2.71358    0.68323
H      -4.04781   -1.83206   -6.27241
H       4.91183    2.10164    0.98242
H       4.04781    1.83206    6.27241
H      -4.91183   -2.10164   -0.98242
H      -7.61655   -3.14813   -5.91903
H       8.48057    0.78558    0.62904
H       7.61655    3.14813    5.91903
H      -8.48057   -0.78558   -0.62904
H      -7.18862   -1.52327   -6.48706
H       8.05264    2.41043    1.19706
H       7.18862    1.52327    6.48706
H      -8.05264   -2.41043   -1.19706
H      -6.30257   -2.93373   -7.09153
H       7.16659    0.99998    1.80154
H       6.30257    2.93373    7.09153
H      -7.16659   -0.99998   -1.80154
H      -6.46196   -2.00034   -4.27758
H       7.32598    1.93336   -1.01242
H       6.46196    2.00034    4.27758
H      -7.32598   -1.93336    1.01242
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -1.54235   -5.72428    0.83241
O       2.40637   -1.79059   -6.12240
O       1.54235    5.72428   -0.83241
O      -2.40637    1.79059    6.12240
O      -0.15475   -4.02352    0.43735
O       1.01877   -0.08983   -5.72735
O       0.15475    4.02352   -0.43735
O      -1.01877    0.08983    5.72735
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -4.62724   -1.40219   -5.45678
C       5.49125    2.53151    0.16678
C       4.62724    1.40219    5.45678
C      -5.49125   -2.53151   -0.16678
C      -6.78807   -2.50179   -6.22241
C       7.65208    1.43191    0.93242
C       6.78807    2.50179    6.22241
C      -7.65208   -1.43191   -0.93242
C      -5.77695   -2.36044   -5.05015
C       6.64096    1.57326   -0.23985
C       5.77695    2.36044    5.05015
C      -6.64096   -1.57326    0.23985
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -0.30707   -5.99049    1.00840
H       1.17109   -2.05680   -6.29840
H       0.30707    5.99049   -1.00840
H      -1.17109    2.05680    6.29840
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -5.04192   -0.44616   -5.78145
H       5.90594    3.48754    0.49145
H       5.04192    0.44616    5.78145
H      -5.90594   -3.48754   -0.49145
H      -3.97137   -1.22012   -4.60677
H       4.83539    2.71358   -0.68323
H       3.97137    1.22012    4.60677
H      -4.83539   -2.71358    0.68323
H      -4.04781   -1.83206   -6.27241
H       4.91183    2.10164    0.98242
H       4.04781    1.83206    6.27241
H      -4.91183   -2.10164   -0.98242
H      -7.61655   -3.14813   -5.91903
H       8.48057    0.78558    0.62904
H       7.61655    3.14813    5.91903
H      -8.48057   -0.78558   -0.62904
H      -7.18862   -1.52327   -6.48706
H       8.05264    2.41043    1.19706
H       7.18862    1.52327    6.48706
H      -8.05264   -2.41043   -1.19706
H      -6.30257   -2.93373   -7.09153
H       7.16659    0.99998    1.80154
H       6.30257    2.93373    7.09153
H      -7.16659   -0.99998   -1.80154
H      -6.46196   -2.00034   -4.27758
H       7.32598    1.93336   -1.01242
H       6.46196    2.00034    4.27758
H      -7.32598   -1.93336    1.01242
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -2.71962   -5.81026    1.45069
O       3.58364   -1.87657   -6.74069
O       2.71962    5.81026   -1.45069
O      -3.58364    1.87657    6.74069
O      -0.69458   -5.16644    0.77333
O       1.55860   -1.23276   -6.06332
O       0.69458    5.16644   -0.77333
O      -1.55860    1.23276    6.06332
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.35891   -2.78549   -6.08741
C       4.22293    1.14821    0.79741
C       3.35891    2.78549    6.08741
C      -4.22293   -1.14821   -0.79741
C      -5.79199   -2.42252   -6.72993
C       6.65601    1.51118    1.43993
C       5.79199    2.42252    6.72993
C      -6.65601   -1.51118   -1.43993
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -0.30707   -5.99049    1.00840
H       1.17109   -2.05680   -6.29840
H       0.30707    5.99049   -1.00840
H      -1.17109    2.05680    6.29840
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.09829   -1.96159   -6.75421
H       3.96231    1.97212    1.46421
H       3.09829    1.96159    6.75421
H      -3.96231   -1.97212   -1.46421
H      -2.64599   -2.79870   -5.26437
H       3.51000    1.13501   -0.02562
H       2.64599    2.79870    5.26437
H      -3.51000   -1.13501    0.02562
H      -3.28954   -3.72227   -6.63825
H       4.15356    0.21144    1.34825
H       3.28954    3.72227    6.63825
H      -4.15356   -0.21144   -1.34825
H      -6.79968   -2.24403   -6.34407
H       7.66370    1.68967    1.05407
H       6.79968    2.24403    6.34407
H      -7.66370   -1.68967   -1.05407
H      -5.49928   -1.57229   -7.34589
H       6.36330    2.36142    2.05590
H       5.49928    1.57229    7.34589
H      -6.36330   -2.36142   -2.05590
H      -5.80142   -3.31831   -7.34241
H       6.66543    0.61540    2.05242
H       5.80141    3.31831    7.34241
H      -6.66543   -0.61540   -2.05242
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -2.71962   -5.81026    1.45069
O       3.58364   -1.87657   -6.74069
O       2.71962    5.81026   -1.45069
O      -3.58364    1.87657    6.74069
O      -0.69458   -5.16644    0.77333
O       1.55860   -1.23276   -6.06332
O       0.69458    5.16644   -0.77333
O      -1.55860    1.23276    6.06332
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.35891   -2.78549   -6.08741
C       4.22293    1.14821    0.79741
C       3.35891    2.78549    6.08741
C      -4.22293   -1.14821   -0.79741
C      -5.79199   -2.42252   -6.72993
C       6.65601    1.51118    1.43993
C       5.79199    2.42252    6.72993
C      -6.65601   -1.51118   -1.43993
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.45246   -6.89347    0.99214
H       3.31648   -2.95978   -6.28214
H       2.45246    6.89347   -0.99214
H      -3.31648    2.95978    6.28214
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.09829   -1.96159   -6.75421
H       3.96231    1.97212    1.46421
H       3.09829    1.96159    6.75421
H      -3.96231   -1.97212   -1.46421
H      -2.64599   -2.79870   -5.26437
H       3.51000    1.13501   -0.02562
H       2.64599    2.79870    5.26437
H      -3.51000   -1.13501    0.02562
H      -3.28954   -3.72227   -6.63825
H       4.15356    0.21144    1.34825
H       3.28954    3.72227    6.63825
H      -4.15356   -0.21144   -1.34825
H      -6.79968   -2.24403   -6.34407
H       7.66370    1.68967    1.05407
H       6.79968    2.24403    6.34407
H      -7.66370   -1.68967   -1.05407
H      -5.49928   -1.57229   -7.34589
H       6.36330    2.36142    2.05590
H       5.49928    1.57229    7.34589
H      -6.36330   -2.36142   -2.05590
H      -5.80142   -3.31831   -7.34241
H       6.66543    0.61540    2.05242
H       5.80141    3.31831    7.34241
H      -6.66543   -0.61540   -2.05242
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.86042   -5.05570    1.36157
O       1.72443   -1.12201   -6.65157
O       0.86042    5.05570   -1.36157
O      -1.72443    1.12201    6.65157
O      -2.78116   -6.03545    0.79156
O       3.64518   -2.10176   -6.08155
O       2.78116    6.03545   -0.79156
O      -3.64518    2.10176    6.08155
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.35891   -2.78549   -6.08741
C       4.22293    1.14821    0.79741
C       3.35891    2.78549    6.08741
C      -4.22293   -1.14821   -0.79741
C      -5.79199   -2.42252   -6.72993
C       6.65601    1.51118    1.43993
C       5.79199    2.42252    6.72993
C      -6.65601   -1.51118   -1.43993
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.53981   -6.82604    1.37618
H       3.40383   -2.89235   -6.66617
H       2.53981    6.82604   -1.37618
H      -3.40383    2.89235    6.66617
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.09829   -1.96159   -6.75421
H       3.96231    1.97212    1.46421
H       3.09829    1.96159    6.75421
H      -3.96231   -1.97212   -1.46421
H      -2.64599   -2.79870   -5.26437
H       3.51000    1.13501   -0.02562
H       2.64599    2.79870    5.26437
H      -3.51000   -1.13501    0.02562
H      -3.28954   -3.72227   -6.63825
H       4.15356    0.21144    1.34825
H       3.28954    3.72227    6.63825
H      -4.15356   -0.21144   -1.34825
H      -6.79968   -2.24403   -6.34407
H       7.66370    1.68967    1.05407
H       6.79968    2.24403    6.34407
H      -7.66370   -1.68967   -1.05407
H      -5.49928   -1.57229   -7.34589
H       6.36330    2.36142    2.05590
H       5.49928    1.57229    7.34589
H      -6.36330   -2.36142   -2.05590
H      -5.80142   -3.31831   -7.34241
H       6.66543    0.61540    2.05242
H       5.80141    3.31831    7.34241
H      -6.66543   -0.61540   -2.05242
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.80158   -5.12134    1.02826
O       1.66560   -1.18765   -6.31825
O       0.80158    5.12134   -1.02826
O      -1.66560    1.18765    6.31825
O      -2.86055   -5.96749    1.16523
O       3.72457   -2.03380   -6.45522
O       2.86055    5.96749   -1.16523
O      -3.72457    2.03380    6.45522
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.53981   -6.82604    1.37618
H       3.40383   -2.89235   -6.66617
H       2.53981    6.82604   -1.37618
H      -3.40383    2.89235    6.66617
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.80158   -5.12134    1.02826
O       1.66560   -1.18765   -6.31825
O       0.80158    5.12134   -1.02826
O      -1.66560    1.18765    6.31825
O      -2.86055   -5.96749    1.16523
O       3.72457   -2.03380   -6.45522
O       2.86055    5.96749   -1.16523
O      -3.72457    2.03380    6.45522
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.47088   -6.88768    1.04200
H       3.33490   -2.95399   -6.33200
H       2.47088    6.88768   -1.04200
H      -3.33490    2.95399    6.33200
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.84661   -5.06174    1.31796
O       1.71063   -1.12805   -6.60795
O       0.84661    5.06174   -1.31796
O      -1.71063    1.12805    6.60795
O      -2.79835   -6.02948    0.84019
O       3.66237   -2.09580   -6.13018
O       2.79835    6.02948   -0.84019
O      -3.66237    2.09580    6.13018
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -1.98602   -6.86097    0.39090
H       2.85004   -2.92728   -5.68089
H       1.98602    6.86097   -0.39090
H      -2.85004    2.92728    5.68089
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -1.23807   -5.06824    1.89927
O       2.10209   -1.13455   -7.18927
O       1.23807    5.06824   -1.89927
O      -2.10209    1.13455    7.18927
O      -2.33625   -6.00899    0.20131
O       3.20027   -2.07530   -5.49130
O       2.33625    6.00899   -0.20131
O      -3.20027    2.07530    5.49130
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.38435   -6.90471    0.84536
H       3.24837   -2.97103   -6.13535
H       2.38435    6.90471   -0.84536
H      -3.24837    2.97103    6.13535
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.91291   -5.04274    1.49064
O       1.77693   -1.10905   -6.78064
O       0.91291    5.04274   -1.49064
O      -1.77693    1.10905    6.78064
O      -2.71705   -6.04745    0.64818
O       3.58107   -2.11376   -5.93817
O       2.71705    6.04745   -0.64818
O      -3.58107    2.11376    5.93817
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.31507   -6.90675    0.73071
H       3.17909   -2.97307   -6.02070
H       2.31508    6.90675   -0.73071
H      -3.17909    2.97307    6.02070
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.96788   -5.03825    1.59223
O       1.83190   -1.10456   -6.88223
O       0.96788    5.03825   -1.59223
O      -1.83190    1.10456    6.88223
O      -2.65133   -6.05033    0.53594
O       3.51535   -2.11664   -5.82593
O       2.65133    6.05033   -0.53594
O      -3.51535    2.11664    5.82593
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -2.01388   -4.93459    0.95583
C       2.87790   -1.00091   -6.24582
C       2.01388    4.93459   -0.95583
C      -2.87790    1.00091    6.24582
C      -3.52605   -3.02471    1.68646
C       4.39007    0.90898   -6.97646
C       3.52605    3.02471   -1.68646
C      -4.39007   -0.90898    6.97646
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.29631   -6.90625    0.70359
H       3.16033   -2.97256   -5.99358
H       2.29631    6.90625   -0.70359
H      -3.16033    2.97256    5.99358
H      -4.39191   -3.67532    1.81858
H       5.25593    0.25836   -7.10857
H       4.39191    3.67532   -1.81858
H      -5.25593   -0.25836    7.10857
H      -2.98824   -2.95495    2.63503
H       3.85226    0.97873   -7.92502
H       2.98824    2.95495   -2.63503
H      -3.85226   -0.97873    7.92502
H      -3.87179   -2.02765    1.40548
H       4.73581    1.90603   -6.69547
H       3.87179    2.02765   -1.40548
H      -4.73581   -1.90603    6.69547
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.98293   -5.03801    1.61638
O       1.84694   -1.10433   -6.90637
O       0.98293    5.03801   -1.61638
O      -1.84694    1.10433    6.90637
O      -2.63348   -6.05006    0.50935
O       3.49750   -2.11637   -5.79935
O       2.63348    6.05006   -0.50935
O      -3.49750    2.11637    5.79935
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.93377   -4.90940    0.91284
C       2.79779   -0.97571   -6.20284
C       1.93377    4.90940   -0.91284
C      -2.79779    0.97571    6.20284
C      -3.55312   -3.11538    1.70490
C       4.41714    0.81831   -6.99489
C       3.55312    3.11538   -1.70490
C      -4.41714   -0.81831    6.99489
C      -2.58066   -3.58136    0.58929
C       3.44468    0.35233   -5.87929
C       2.58066    3.58136   -0.58929
C      -3.44468   -0.35233    5.87929
C      -3.56605   -2.95736   -6.41085
C       4.43007    0.97635    1.12086
C       3.56605    2.95736    6.41085
C      -4.43007   -0.97635   -1.12086
C      -5.97467   -2.14463   -6.46130
C       6.83869    1.78907    1.17130
C       5.97467    2.14463    6.46130
C      -6.83869   -1.78907   -1.17130
C      -4.79828   -2.58521   -5.54562
C       5.66229    1.34850    0.25562
C       4.79828    2.58521    5.54562
C      -5.66229   -1.34850   -0.25562
C      -5.24699   -3.76312   -4.63230
C       6.11101    0.17058   -0.65770
C       5.24699    3.76312    4.63230
C      -6.11101   -0.17058    0.65770
C      -4.68744   -3.63535   -0.84823
C       5.55146    0.29834   -4.44177
C       4.68744    3.63535    0.84823
C      -5.55146   -0.29834    4.44177
C      -5.31947   -3.68461   -2.09722
C       6.18349    0.24909   -3.19278
C       5.31947    3.68461    2.09722
C      -6.18349   -0.24909    3.19278
C      -3.28258   -3.64533   -0.75611
C       4.14659    0.28837   -4.53388
C       3.28258    3.64533    0.75611
C      -4.14659   -0.28837    4.53388
C      -2.52865   -3.69704   -1.94032
C       3.39267    0.23665   -3.34968
C       2.52865    3.69704    1.94032
C      -3.39267   -0.23665    3.34968
C      -4.56033   -3.74893   -3.28245
C       5.42435    0.18477   -2.00754
C       4.56033    3.74893    3.28245
C      -5.42435   -0.18477    2.00754
C      -3.15819   -3.74731   -3.19064
C       4.02220    0.18639   -2.09935
C       3.15819    3.74731    3.19064
C      -4.02220   -0.18639    2.09935
H      -2.10048   -6.88561    0.60044
H       2.96450   -2.95192   -5.89044
H       2.10048    6.88561   -0.60044
H      -2.96450    2.95192    5.89044
H      -4.37864   -3.81969    1.81853
H       5.24266    0.11399   -7.10852
H       4.37864    3.81969   -1.81853
H      -5.24266   -0.11399    7.10852
H      -3.01684   -3.04315    2.65415
H       3.88086    0.89054   -7.94414
H       3.01684    3.04315   -2.65415
H      -3.88086   -0.89054    7.94414
H      -3.95804   -2.13231    1.45546
H       4.82206    1.80138   -6.74545
H       3.95804    2.13231   -1.45546
H      -4.82206   -1.80138    6.74545
H      -1.50366   -3.67975    0.43180
H       2.36768    0.25394   -5.72180
H       1.50366    3.67975   -0.43180
H      -2.36768   -0.25394    5.72180
H      -3.30927   -2.12204   -7.06482
H       4.17329    1.81167    1.77482
H       3.30927    2.12204    7.06482
H      -4.17329   -1.81167   -1.77482
H      -2.70915   -3.16909   -5.77312
H       3.57316    0.76461    0.48313
H       2.70915    3.16909    5.77312
H      -3.57316   -0.76461   -0.48313
H      -3.78396   -3.83168   -7.02229
H       4.64798    0.10202    1.73229
H       3.78396    3.83168    7.02229
H      -4.64798   -0.10202   -1.73229
H      -6.82907   -1.84720   -5.84672
H       7.69309    2.08651    0.55672
H       6.82907    1.84720    5.84672
H      -7.69309   -2.08651   -0.55672
H      -5.67156   -1.29383   -7.07142
H       6.53558    2.63987    1.78143
H       5.67156    1.29383    7.07142
H      -6.53558   -2.63987   -1.78143
H      -6.27399   -2.95975   -7.11217
H       7.13800    0.97395    1.82218
H       6.27399    2.95975    7.11217
H      -7.13800   -0.97395   -1.82218
H      -4.99748   -1.64371   -5.02629
H       5.86149    2.28999   -0.26370
H       4.99748    1.64371    5.02629
H      -5.86149   -2.28999    0.26370
H      -4.55431   -4.13311   -5.38995
H       5.41833   -0.19940    0.09995
H       4.55431    4.13311    5.38995
H      -5.41833    0.19940   -0.09995
H      -6.08895   -4.46380   -4.57961
H       6.95297   -0.53010   -0.71038
H       6.08895    4.46380    4.57961
H      -6.95297    0.53010    0.71038
H      -5.27658   -3.58469    0.02061
H       6.14060    0.34900   -5.31061
H       5.27658    3.58469   -0.02061
H      -6.14060   -0.34900    5.31061
H      -6.36890   -3.67166   -2.14688
H       7.23292    0.26203   -3.14311
H       6.36890    3.67166    2.14688
H      -7.23292   -0.26203    3.14311
H      -1.47691   -3.69523   -1.89740
H       2.34093    0.23847   -3.39259
H       1.47691    3.69523    1.89740
H      -2.34093   -0.23847    3.39259
H      -2.57421   -3.78019   -4.06222
H       3.43823    0.15351   -1.22777
H       2.57421    3.78019    4.06222
H      -3.43823   -0.15351    1.22777
O      -0.89607   -4.97203    1.56793
O       1.76009   -1.03834   -6.85792
O       0.89607    4.97203   -1.56793
O      -1.76009    1.03834    6.85792
O      -2.48823   -6.04525    0.43335
O       3.35224   -2.11156   -5.72334
O       2.48823    6.04525   -0.43335
O      -3.35224    2.11156    5.72334
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.85654   -7.05363   -1.38673
C       2.72056   -3.11994   -3.90327
C       1.85654    7.05363    1.38673
C      -2.72056    3.11994    3.90327
C      -1.92431   -5.55614    0.66780
C       2.78832   -1.62245   -5.95780
C       1.92431    5.55614   -0.66780
C      -2.78832    1.62245    5.95780
C      -1.79196   -5.63162   -0.87628
C       2.65598   -1.69793   -4.41372
C       1.79196    5.63162    0.87628
C      -2.65598    1.69793    4.41372
C      -4.68372   -1.18435   -5.59028
C       5.54774    2.74935    0.30028
C       4.68372    1.18435    5.59028
C      -5.54774   -2.74935   -0.30028
C      -6.16873    0.19980   -4.05946
C       7.03275    4.13349   -1.23053
C       6.16873   -0.19980    4.05946
C      -7.03275   -4.13350    1.23053
C      -5.15512   -0.97684   -4.12733
C       6.01914    2.95686   -1.16267
C       5.15512    0.97684    4.12733
C      -6.01914   -2.95686    1.16267
C      -5.79456   -2.26520   -3.53215
C       6.65858    1.66850   -1.75784
C       5.79456    2.26520    3.53215
C      -6.65858   -1.66850    1.75784
C      -3.97078   -4.30490   -0.85595
C       4.83480   -0.37120   -4.43405
C       3.97078    4.30490    0.85595
C      -4.83480    0.37120    4.43405
C      -4.92667   -3.50598   -1.49615
C       5.79069    0.42772   -3.79384
C       4.92667    3.50598    1.49615
C      -5.79069   -0.42772    3.79384
C      -2.84377   -4.77356   -1.55768
C       3.70778   -0.83986   -3.73231
C       2.84377    4.77356    1.55768
C      -3.70778    0.83986    3.73231
C      -2.69310   -4.41744   -2.90820
C       3.55712   -0.48375   -2.38180
C       2.69310    4.41744    2.90820
C      -3.55712    0.48375    2.38180
C      -4.77878   -3.16094   -2.85420
C       5.64279    0.77276   -2.43579
C       4.77878    3.16094    2.85420
C      -5.64279   -0.77276    2.43579
C      -3.64802   -3.61936   -3.55112
C       4.51204    0.31434   -1.73888
C       3.64802    3.61936    3.55112
C      -4.51204   -0.31434    1.73888
H      -3.11382   -8.42316   -2.14465
H       3.97783   -4.48946   -3.14535
H       3.11382    8.42316    2.14465
H      -3.97783    4.48946    3.14535
H      -2.89380   -5.93684    0.99277
H       3.75782   -2.00315   -6.28277
H       2.89380    5.93684   -0.99277
H      -3.75782    2.00315    6.28277
H      -1.13611   -6.15190    1.13437
H       2.00012   -2.21822   -6.42437
H       1.13611    6.15190   -1.13437
H      -2.00012    2.21822    6.42437
H      -1.82207   -4.52002    0.99738
H       2.68609   -0.58634   -6.28738
H       1.82207    4.52002   -0.99738
H      -2.68609    0.58634    6.28738
H      -1.05425   -5.94432   -1.61954
H       1.91827   -2.01063   -3.67046
H       1.05425    5.94432    1.61954
H      -1.91827    2.01063    3.67046
H      -4.28055   -0.24939   -5.98356
H       5.14457    3.68431    0.69356
H       4.28055    0.24939    5.98356
H      -5.14457   -3.68431   -0.69356
H      -3.89937   -1.93875   -5.62898
H       4.76339    1.99496    0.33899
H       3.89937    1.93875    5.62898
H      -4.76339   -1.99496   -0.33899
H      -5.51790   -1.50062   -6.21470
H       6.38192    2.43309    0.92471
H       5.51790    1.50062    6.21470
H      -6.38192   -2.43309   -0.92471
H      -6.47019    0.36756   -3.02160
H       7.33421    4.30125   -2.26839
H       6.47019   -0.36756    3.02160
H      -7.33421   -4.30126    2.26839
H      -5.70602    1.11063   -4.43928
H       6.57004    5.04433   -0.85071
H       5.70602   -1.11063    4.43928
H      -6.57004   -5.04433    0.85071
H      -7.04991   -0.02456   -4.65177
H       7.91393    3.90914   -0.63823
H       7.04991    0.02456    4.65177
H      -7.91393   -3.90914    0.63823
H      -4.64508   -0.43619   -3.32524
H       5.50910    3.49751   -1.96475
H       4.64508    0.43619    3.32524
H      -5.50910   -3.49751    1.96475
H      -5.70699   -2.36877   -4.61490
H       6.57101    1.56493   -0.67510
H       5.70699    2.36877    4.61490
H      -6.57101   -1.56493    0.67510
H      -6.79631   -2.60631   -3.24446
H       7.66032    1.32738   -2.04553
H       6.79631    2.60631    3.24446
H      -7.66032   -1.32738    2.04553
H      -4.10296   -4.54543    0.15855
H       4.96697   -0.61174   -5.44854
H       4.10296    4.54543   -0.15855
H      -4.96697    0.61174    5.44854
H      -5.75904   -3.16149   -0.95539
H       6.62306    0.77220   -4.33461
H       5.75904    3.16149    0.95539
H      -6.62306   -0.77220    4.33461
H      -1.85368   -4.74726   -3.45096
H       2.71769   -0.81356   -1.83904
H       1.85368    4.74726    3.45096
H      -2.71769    0.81356    1.83904
H      -3.51169   -3.36165   -4.55946
H       4.37571    0.57205   -0.73053
H       3.51169    3.36165    4.55946
H      -4.37571   -0.57205    0.73053
O      -0.84778   -7.75084   -1.46531
O       1.71179   -3.81714   -3.82468
O       0.84777    7.75084    1.46531
O      -1.71179    3.81714    3.82468
O      -3.04291   -7.54935   -1.80421
O       3.90692   -3.61566   -3.48579
O       3.04291    7.54935    1.80421
O      -3.90692    3.61566    3.48579
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.85654   -7.05363   -1.38673
C       2.72056   -3.11994   -3.90327
C       1.85654    7.05363    1.38673
C      -2.72056    3.11994    3.90327
C      -1.92431   -5.55614    0.66780
C       2.78832   -1.62245   -5.95780
C       1.92431    5.55614   -0.66780
C      -2.78832    1.62245    5.95780
C      -1.79196   -5.63162   -0.87628
C       2.65598   -1.69793   -4.41372
C       1.79196    5.63162    0.87628
C      -2.65598    1.69793    4.41372
C      -4.68372   -1.18435   -5.59028
C       5.54774    2.74935    0.30028
C       4.68372    1.18435    5.59028
C      -5.54774   -2.74935   -0.30028
C      -6.16873    0.19980   -4.05946
C       7.03275    4.13349   -1.23053
C       6.16873   -0.19980    4.05946
C      -7.03275   -4.13350    1.23053
C      -5.15512   -0.97684   -4.12733
C       6.01914    2.95686   -1.16267
C       5.15512    0.97684    4.12733
C      -6.01914   -2.95686    1.16267
C      -5.79456   -2.26520   -3.53215
C       6.65858    1.66850   -1.75784
C       5.79456    2.26520    3.53215
C      -6.65858   -1.66850    1.75784
C      -3.97078   -4.30490   -0.85595
C       4.83480   -0.37120   -4.43405
C       3.97078    4.30490    0.85595
C      -4.83480    0.37120    4.43405
C      -4.92667   -3.50598   -1.49615
C       5.79069    0.42772   -3.79384
C       4.92667    3.50598    1.49615
C      -5.79069   -0.42772    3.79384
C      -2.84377   -4.77356   -1.55768
C       3.70778   -0.83986   -3.73231
C       2.84377    4.77356    1.55768
C      -3.70778    0.83986    3.73231
C      -2.69310   -4.41744   -2.90820
C       3.55712   -0.48375   -2.38180
C       2.69310    4.41744    2.90820
C      -3.55712    0.48375    2.38180
C      -4.77878   -3.16094   -2.85420
C       5.64279    0.77276   -2.43579
C       4.77878    3.16094    2.85420
C      -5.64279   -0.77276    2.43579
C      -3.64802   -3.61936   -3.55112
C       4.51204    0.31434   -1.73888
C       3.64802    3.61936    3.55112
C      -4.51204   -0.31434    1.73888
H      -3.13846   -8.52673   -1.85300
H       4.00248   -4.59304   -3.43699
H       3.13846    8.52673    1.85300
H      -4.00248    4.59304    3.43699
H      -2.89380   -5.93684    0.99277
H       3.75782   -2.00315   -6.28277
H       2.89380    5.93684   -0.99277
H      -3.75782    2.00315    6.28277
H      -1.13611   -6.15190    1.13437
H       2.00012   -2.21822   -6.42437
H       1.13611    6.15190   -1.13437
H      -2.00012    2.21822    6.42437
H      -1.82207   -4.52002    0.99738
H       2.68609   -0.58634   -6.28738
H       1.82207    4.52002   -0.99738
H      -2.68609    0.58634    6.28738
H      -1.05425   -5.94432   -1.61954
H       1.91827   -2.01063   -3.67046
H       1.05425    5.94432    1.61954
H      -1.91827    2.01063    3.67046
H      -4.28055   -0.24939   -5.98356
H       5.14457    3.68431    0.69356
H       4.28055    0.24939    5.98356
H      -5.14457   -3.68431   -0.69356
H      -3.89937   -1.93875   -5.62898
H       4.76339    1.99496    0.33899
H       3.89937    1.93875    5.62898
H      -4.76339   -1.99496   -0.33899
H      -5.51790   -1.50062   -6.21470
H       6.38192    2.43309    0.92471
H       5.51790    1.50062    6.21470
H      -6.38192   -2.43309   -0.92471
H      -6.47019    0.36756   -3.02160
H       7.33421    4.30125   -2.26839
H       6.47019   -0.36756    3.02160
H      -7.33421   -4.30126    2.26839
H      -5.70602    1.11063   -4.43928
H       6.57004    5.04433   -0.85071
H       5.70602   -1.11063    4.43928
H      -6.57004   -5.04433    0.85071
H      -7.04991   -0.02456   -4.65177
H       7.91393    3.90914   -0.63823
H       7.04991    0.02456    4.65177
H      -7.91393   -3.90914    0.63823
H      -4.64508   -0.43619   -3.32524
H       5.50910    3.49751   -1.96475
H       4.64508    0.43619    3.32524
H      -5.50910   -3.49751    1.96475
H      -5.70699   -2.36877   -4.61490
H       6.57101    1.56493   -0.67510
H       5.70699    2.36877    4.61490
H      -6.57101   -1.56493    0.67510
H      -6.79631   -2.60631   -3.24446
H       7.66032    1.32738   -2.04553
H       6.79631    2.60631    3.24446
H      -7.66032   -1.32738    2.04553
H      -4.10296   -4.54543    0.15855
H       4.96697   -0.61174   -5.44854
H       4.10296    4.54543   -0.15855
H      -4.96697    0.61174    5.44854
H      -5.75904   -3.16149   -0.95539
H       6.62306    0.77220   -4.33461
H       5.75904    3.16149    0.95539
H      -6.62306   -0.77220    4.33461
H      -1.85368   -4.74726   -3.45096
H       2.71769   -0.81356   -1.83904
H       1.85368    4.74726    3.45096
H      -2.71769    0.81356    1.83904
H      -3.51169   -3.36165   -4.55946
H       4.37571    0.57205   -0.73053
H       3.51169    3.36165    4.55946
H      -4.37571   -0.57205    0.73053
O      -0.84064   -7.66064   -1.71749
O       1.70466   -3.72695   -3.57251
O       0.84064    7.66064    1.71749
O      -1.70466    3.72695    3.57251
O      -3.06218   -7.65022   -1.52075
O       3.92620   -3.71653   -3.76924
O       3.06218    7.65022    1.52075
O      -3.92620    3.71653    3.76924
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.85654   -7.05363   -1.38673
C       2.72056   -3.11994   -3.90327
C       1.85654    7.05363    1.38673
C      -2.72056    3.11994    3.90327
C      -1.92431   -5.55614    0.66780
C       2.78832   -1.62245   -5.95780
C       1.92431    5.55614   -0.66780
C      -2.78832    1.62245    5.95780
C      -1.79196   -5.63162   -0.87628
C       2.65598   -1.69793   -4.41372
C       1.79196    5.63162    0.87628
C      -2.65598    1.69793    4.41372
C      -5.17356   -0.98183   -5.67818
C       6.03758    2.95187    0.38818
C       5.17356    0.98183    5.67818
C      -6.03758   -2.95187   -0.38818
C      -5.89692    0.28040   -3.59298
C       6.76094    4.21410   -1.69701
C       5.89692   -0.28040    3.59298
C      -6.76094   -4.21410    1.69701
C      -5.15512   -0.97684   -4.12733
C       6.01914    2.95686   -1.16267
C       5.15512    0.97684    4.12733
C      -6.01914   -2.95686    1.16267
C      -5.79456   -2.26520   -3.53215
C       6.65858    1.66850   -1.75784
C       5.79456    2.26520    3.53215
C      -6.65858   -1.66850    1.75784
C      -3.97078   -4.30490   -0.85595
C       4.83480   -0.37120   -4.43405
C       3.97078    4.30490    0.85595
C      -4.83480    0.37120    4.43405
C      -4.92667   -3.50598   -1.49615
C       5.79069    0.42772   -3.79384
C       4.92667    3.50598    1.49615
C      -5.79069   -0.42772    3.79384
C      -2.84377   -4.77356   -1.55768
C       3.70778   -0.83986   -3.73231
C       2.84377    4.77356    1.55768
C      -3.70778    0.83986    3.73231
C      -2.69310   -4.41744   -2.90820
C       3.55712   -0.48375   -2.38180
C       2.69310    4.41744    2.90820
C      -3.55712    0.48375    2.38180
C      -4.77878   -3.16094   -2.85420
C       5.64279    0.77276   -2.43579
C       4.77878    3.16094    2.85420
C      -5.64279   -0.77276    2.43579
C      -3.64802   -3.61936   -3.55112
C       4.51204    0.31434   -1.73888
C       3.64802    3.61936    3.55112
C      -4.51204   -0.31434    1.73888
H      -3.13846   -8.52673   -1.85300
H       4.00248   -4.59304   -3.43699
H       3.13846    8.52673    1.85300
H      -4.00248    4.59304    3.43699
H      -2.89380   -5.93684    0.99277
H       3.75782   -2.00315   -6.28277
H       2.89380    5.93684   -0.99277
H      -3.75782    2.00315    6.28277
H      -1.13611   -6.15190    1.13437
H       2.00012   -2.21822   -6.42437
H       1.13611    6.15190   -1.13437
H      -2.00012    2.21822    6.42437
H      -1.82207   -4.52002    0.99738
H       2.68609   -0.58634   -6.28738
H       1.82207    4.52002   -0.99738
H      -2.68609    0.58634    6.28738
H      -1.05425   -5.94432   -1.61954
H       1.91827   -2.01063   -3.67046
H       1.05425    5.94432    1.61954
H      -1.91827    2.01063    3.67046
H      -4.75554   -0.04645   -6.05460
H       5.61956    3.88726    0.76460
H       4.75554    0.04645    6.05460
H      -5.61956   -3.88726   -0.76460
H      -4.56986   -1.80442   -6.05859
H       5.43388    2.12929    0.76859
H       4.56986    1.80442    6.05859
H      -5.43388   -2.12929   -0.76859
H      -6.19410   -1.08589   -6.04349
H       7.05812    2.84781    0.75349
H       6.19410    1.08589    6.04349
H      -7.05812   -2.84781   -0.75349
H      -5.84941    0.30019   -2.50049
H       6.71342    4.23389   -2.78950
H       5.84941   -0.30019    2.50049
H      -6.71342   -4.23389    2.78950
H      -5.42284    1.18291   -3.97860
H       6.28686    5.11661   -1.31140
H       5.42284   -1.18291    3.97860
H      -6.28686   -5.11661    1.31140
H      -6.93725    0.26615   -3.90146
H       7.80127    4.19985   -1.38854
H       6.93726   -0.26615    3.90146
H      -7.80127   -4.19985    1.38854
H      -4.64508   -0.43619   -3.32524
H       5.50910    3.49751   -1.96475
H       4.64508    0.43619    3.32524
H      -5.50910   -3.49751    1.96475
H      -5.70699   -2.36877   -4.61490
H       6.57101    1.56493   -0.67510
H       5.70699    2.36877    4.61490
H      -6.57101   -1.56493    0.67510
H      -6.79631   -2.60631   -3.24446
H       7.66032    1.32738   -2.04553
H       6.79631    2.60631    3.24446
H      -7.66032   -1.32738    2.04553
H      -4.10296   -4.54543    0.15855
H       4.96697   -0.61174   -5.44854
H       4.10296    4.54543   -0.15855
H      -4.96697    0.61174    5.44854
H      -5.75904   -3.16149   -0.95539
H       6.62306    0.77220   -4.33461
H       5.75904    3.16149    0.95539
H      -6.62306   -0.77220    4.33461
H      -1.85368   -4.74726   -3.45096
H       2.71769   -0.81356   -1.83904
H       1.85368    4.74726    3.45096
H      -2.71769    0.81356    1.83904
H      -3.51169   -3.36165   -4.55946
H       4.37571    0.57205   -0.73053
H       3.51169    3.36165    4.55946
H      -4.37571   -0.57205    0.73053
O      -0.84064   -7.66064   -1.71749
O       1.70466   -3.72695   -3.57251
O       0.84064    7.66064    1.71749
O      -1.70466    3.72695    3.57251
O      -3.06218   -7.65022   -1.52075
O       3.92620   -3.71653   -3.76924
O       3.06218    7.65022    1.52075
O      -3.92620    3.71653    3.76924
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.85654   -7.05363   -1.38673
C       2.72056   -3.11994   -3.90327
C       1.85654    7.05363    1.38673
C      -2.72056    3.11994    3.90327
C      -1.92431   -5.55614    0.66780
C       2.78832   -1.62245   -5.95780
C       1.92431    5.55614   -0.66780
C      -2.78832    1.62245    5.95780
C      -1.79196   -5.63162   -0.87628
C       2.65598   -1.69793   -4.41372
C       1.79196    5.63162    0.87628
C      -2.65598    1.69793    4.41372
C      -5.02790   -1.05093   -5.67130
C       5.89192    2.88277    0.38130
C       5.02790    1.05093    5.67130
C      -5.89192   -2.88277   -0.38130
C      -5.99426    0.26807   -3.72427
C       6.85828    4.20177   -1.56572
C       5.99426   -0.26807    3.72427
C      -6.85828   -4.20177    1.56572
C      -5.15512   -0.97684   -4.12733
C       6.01914    2.95686   -1.16267
C       5.15512    0.97684    4.12733
C      -6.01914   -2.95686    1.16267
C      -5.79456   -2.26520   -3.53215
C       6.65858    1.66850   -1.75784
C       5.79456    2.26520    3.53215
C      -6.65858   -1.66850    1.75784
C      -3.97078   -4.30490   -0.85595
C       4.83480   -0.37120   -4.43405
C       3.97078    4.30490    0.85595
C      -4.83480    0.37120    4.43405
C      -4.92667   -3.50598   -1.49615
C       5.79069    0.42772   -3.79384
C       4.92667    3.50598    1.49615
C      -5.79069   -0.42772    3.79384
C      -2.84377   -4.77356   -1.55768
C       3.70778   -0.83986   -3.73231
C       2.84377    4.77356    1.55768
C      -3.70778    0.83986    3.73231
C      -2.69310   -4.41744   -2.90820
C       3.55712   -0.48375   -2.38180
C       2.69310    4.41744    2.90820
C      -3.55712    0.48375    2.38180
C      -4.77878   -3.16094   -2.85420
C       5.64279    0.77276   -2.43579
C       4.77878    3.16094    2.85420
C      -5.64279   -0.77276    2.43579
C      -3.64802   -3.61936   -3.55112
C       4.51204    0.31434   -1.73888
C       3.64802    3.61936    3.55112
C      -4.51204   -0.31434    1.73888
H      -3.13846   -8.52673   -1.85300
H       4.00248   -4.59304   -3.43699
H       3.13846    8.52673    1.85300
H      -4.00248    4.59304    3.43699
H      -2.89380   -5.93684    0.99277
H       3.75782   -2.00315   -6.28277
H       2.89380    5.93684   -0.99277
H      -3.75782    2.00315    6.28277
H      -1.13611   -6.15190    1.13437
H       2.00012   -2.21822   -6.42437
H       1.13611    6.15190   -1.13437
H      -2.00012    2.21822    6.42437
H      -1.82207   -4.52002    0.99738
H       2.68609   -0.58634   -6.28738
H       1.82207    4.52002   -0.99738
H      -2.68609    0.58634    6.28738
H      -1.05425   -5.94432   -1.61954
H       1.91827   -2.01063   -3.67046
H       1.05425    5.94432    1.61954
H      -1.91827    2.01063    3.67046
H      -4.61486   -0.11518   -6.05225
H       5.47888    3.81853    0.76226
H       4.61486    0.11518    6.05225
H      -5.47888   -3.81853   -0.76226
H      -4.35823   -1.86148   -5.95478
H       5.22225    2.07222    0.66479
H       4.35823    1.86148    5.95478
H      -5.22225   -2.07222   -0.66479
H      -6.00463   -1.21677   -6.12326
H       6.86865    2.71693    0.83327
H       6.00463    1.21677    6.12326
H      -6.86865   -2.71693   -0.83327
H      -6.05018    0.33806   -2.63425
H       6.91420    4.27176   -2.65575
H       6.05018   -0.33806    2.63425
H      -6.91420   -4.27176    2.65575
H      -5.52325    1.17314   -4.10765
H       6.38726    5.10684   -1.18234
H       5.52325   -1.17314    4.10765
H      -6.38726   -5.10684    1.18234
H      -6.99966    0.19347   -4.12584
H       7.86368    4.12717   -1.16415
H       6.99966   -0.19347    4.12584
H      -7.86368   -4.12717    1.16415
H      -4.64508   -0.43619   -3.32524
H       5.50910    3.49751   -1.96475
H       4.64508    0.43619    3.32524
H      -5.50910   -3.49751    1.96475
H      -5.70699   -2.36877   -4.61490
H       6.57101    1.56493   -0.67510
H       5.70699    2.36877    4.61490
H      -6.57101   -1.56493    0.67510
H      -6.79631   -2.60631   -3.24446
H       7.66032    1.32738   -2.04553
H       6.79631    2.60631    3.24446
H      -7.66032   -1.32738    2.04553
H      -4.10296   -4.54543    0.15855
H       4.96697   -0.61174   -5.44854
H       4.10296    4.54543   -0.15855
H      -4.96697    0.61174    5.44854
H      -5.75904   -3.16149   -0.95539
H       6.62306    0.77220   -4.33461
H       5.75904    3.16149    0.95539
H      -6.62306   -0.77220    4.33461
H      -1.85368   -4.74726   -3.45096
H       2.71769   -0.81356   -1.83904
H       1.85368    4.74726    3.45096
H      -2.71769    0.81356    1.83904
H      -3.51169   -3.36165   -4.55946
H       4.37571    0.57205   -0.73053
H       3.51169    3.36165    4.55946
H      -4.37571   -0.57205    0.73053
O      -0.84064   -7.66064   -1.71749
O       1.70466   -3.72695   -3.57251
O       0.84064    7.66064    1.71749
O      -1.70466    3.72695    3.57251
O      -3.06218   -7.65022   -1.52075
O       3.92620   -3.71653   -3.76924
O       3.06218    7.65022    1.52075
O      -3.92620    3.71653    3.76924
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.85654   -7.05363   -1.38673
C       2.72056   -3.11994   -3.90327
C       1.85654    7.05363    1.38673
C      -2.72056    3.11994    3.90327
C      -1.92431   -5.55614    0.66780
C       2.78832   -1.62245   -5.95780
C       1.92431    5.55614   -0.66780
C      -2.78832    1.62245    5.95780
C      -1.79196   -5.63162   -0.87628
C       2.65598   -1.69793   -4.41372
C       1.79196    5.63162    0.87628
C      -2.65598    1.69793    4.41372
C      -5.02790   -1.05093   -5.67130
C       5.89192    2.88277    0.38130
C       5.02790    1.05093    5.67130
C      -5.89192   -2.88277   -0.38130
C      -5.99426    0.26807   -3.72427
C       6.85828    4.20177   -1.56572
C       5.99426   -0.26807    3.72427
C      -6.85828   -4.20177    1.56572
C      -5.15512   -0.97684   -4.12733
C       6.01914    2.95686   -1.16267
C       5.15512    0.97684    4.12733
C      -6.01914   -2.95686    1.16267
C      -5.79456   -2.26520   -3.53215
C       6.65858    1.66850   -1.75784
C       5.79456    2.26520    3.53215
C      -6.65858   -1.66850    1.75784
C      -3.97078   -4.30490   -0.85595
C       4.83480   -0.37120   -4.43405
C       3.97078    4.30490    0.85595
C      -4.83480    0.37120    4.43405
C      -4.92667   -3.50598   -1.49615
C       5.79069    0.42772   -3.79384
C       4.92667    3.50598    1.49615
C      -5.79069   -0.42772    3.79384
C      -2.84377   -4.77356   -1.55768
C       3.70778   -0.83986   -3.73231
C       2.84377    4.77356    1.55768
C      -3.70778    0.83986    3.73231
C      -2.69310   -4.41744   -2.90820
C       3.55712   -0.48375   -2.38180
C       2.69310    4.41744    2.90820
C      -3.55712    0.48375    2.38180
C      -4.77878   -3.16094   -2.85420
C       5.64279    0.77276   -2.43579
C       4.77878    3.16094    2.85420
C      -5.64279   -0.77276    2.43579
C      -3.64802   -3.61936   -3.55112
C       4.51204    0.31434   -1.73888
C       3.64802    3.61936    3.55112
C      -4.51204   -0.31434    1.73888
H      -3.12280   -8.57611   -1.71741
H       3.98681   -4.64242   -3.57258
H       3.12280    8.57611    1.71741
H      -3.98682    4.64242    3.57258
H      -2.89380   -5.93684    0.99277
H       3.75782   -2.00315   -6.28277
H       2.89380    5.93684   -0.99277
H      -3.75782    2.00315    6.28277
H      -1.13611   -6.15190    1.13437
H       2.00012   -2.21822   -6.42437
H       1.13611    6.15190   -1.13437
H      -2.00012    2.21822    6.42437
H      -1.82207   -4.52002    0.99738
H       2.68609   -0.58634   -6.28738
H       1.82207    4.52002   -0.99738
H      -2.68609    0.58634    6.28738
H      -1.05425   -5.94432   -1.61954
H       1.91827   -2.01063   -3.67046
H       1.05425    5.94432    1.61954
H      -1.91827    2.01063    3.67046
H      -4.61486   -0.11518   -6.05225
H       5.47888    3.81853    0.76226
H       4.61486    0.11518    6.05225
H      -5.47888   -3.81853   -0.76226
H      -4.35823   -1.86148   -5.95478
H       5.22225    2.07222    0.66479
H       4.35823    1.86148    5.95478
H      -5.22225   -2.07222   -0.66479
H      -6.00463   -1.21677   -6.12326
H       6.86865    2.71693    0.83327
H       6.00463    1.21677    6.12326
H      -6.86865   -2.71693   -0.83327
H      -6.05018    0.33806   -2.63425
H       6.91420    4.27176   -2.65575
H       6.05018   -0.33806    2.63425
H      -6.91420   -4.27176    2.65575
H      -5.52325    1.17314   -4.10765
H       6.38726    5.10684   -1.18234
H       5.52325   -1.17314    4.10765
H      -6.38726   -5.10684    1.18234
H      -6.99966    0.19347   -4.12584
H       7.86368    4.12717   -1.16415
H       6.99966   -0.19347    4.12584
H      -7.86368   -4.12717    1.16415
H      -4.64508   -0.43619   -3.32524
H       5.50910    3.49751   -1.96475
H       4.64508    0.43619    3.32524
H      -5.50910   -3.49751    1.96475
H      -5.70699   -2.36877   -4.61490
H       6.57101    1.56493   -0.67510
H       5.70699    2.36877    4.61490
H      -6.57101   -1.56493    0.67510
H      -6.79631   -2.60631   -3.24446
H       7.66032    1.32738   -2.04553
H       6.79631    2.60631    3.24446
H      -7.66032   -1.32738    2.04553
H      -4.10296   -4.54543    0.15855
H       4.96697   -0.61174   -5.44854
H       4.10296    4.54543   -0.15855
H      -4.96697    0.61174    5.44854
H      -5.75904   -3.16149   -0.95539
H       6.62306    0.77220   -4.33461
H       5.75904    3.16149    0.95539
H      -6.62306   -0.77220    4.33461
H      -1.85368   -4.74726   -3.45096
H       2.71769   -0.81356   -1.83904
H       1.85368    4.74726    3.45096
H      -2.71769    0.81356    1.83904
H      -3.51169   -3.36165   -4.55946
H       4.37571    0.57205   -0.73053
H       3.51169    3.36165    4.55946
H      -4.37571   -0.57205    0.73053
O      -0.86070   -7.61807   -1.83355
O       1.72471   -3.68437   -3.45644
O       0.86070    7.61807    1.83355
O      -1.72471    3.68437    3.45644
O      -3.04480   -7.69818   -1.38936
O       3.90882   -3.76449   -3.90064
O       3.04480    7.69818    1.38936
O      -3.90882    3.76449    3.90064
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -1.85654   -7.05363   -1.38673
C       2.72056   -3.11994   -3.90327
C       1.85654    7.05363    1.38673
C      -2.72056    3.11994    3.90327
C      -1.92431   -5.55614    0.66780
C       2.78832   -1.62245   -5.95780
C       1.92431    5.55614   -0.66780
C      -2.78832    1.62245    5.95780
C      -1.79196   -5.63162   -0.87628
C       2.65598   -1.69793   -4.41372
C       1.79196    5.63162    0.87628
C      -2.65598    1.69793    4.41372
C      -4.98462   -1.06999   -5.66609
C       5.84864    2.86371    0.37609
C       4.98462    1.06999    5.66609
C      -5.84864   -2.86371   -0.37609
C      -6.02043    0.26250   -3.76448
C       6.88445    4.19620   -1.52552
C       6.02043   -0.26250    3.76448
C      -6.88445   -4.19620    1.52552
C      -5.15512   -0.97684   -4.12733
C       6.01914    2.95686   -1.16267
C       5.15512    0.97684    4.12733
C      -6.01914   -2.95686    1.16267
C      -5.79456   -2.26520   -3.53215
C       6.65858    1.66850   -1.75784
C       5.79456    2.26520    3.53215
C      -6.65858   -1.66850    1.75784
C      -3.97078   -4.30490   -0.85595
C       4.83480   -0.37120   -4.43405
C       3.97078    4.30490    0.85595
C      -4.83480    0.37120    4.43405
C      -4.92667   -3.50598   -1.49615
C       5.79069    0.42772   -3.79384
C       4.92667    3.50598    1.49615
C      -5.79069   -0.42772    3.79384
C      -2.84377   -4.77356   -1.55768
C       3.70778   -0.83986   -3.73231
C       2.84377    4.77356    1.55768
C      -3.70778    0.83986    3.73231
C      -2.69310   -4.41744   -2.90820
C       3.55712   -0.48375   -2.38180
C       2.69310    4.41744    2.90820
C      -3.55712    0.48375    2.38180
C      -4.77878   -3.16094   -2.85420
C       5.64279    0.77276   -2.43579
C       4.77878    3.16094    2.85420
C      -5.64279   -0.77276    2.43579
C      -3.64802   -3.61936   -3.55112
C       4.51204    0.31434   -1.73888
C       3.64802    3.61936    3.55112
C      -4.51204   -0.31434    1.73888
H      -3.12280   -8.57611   -1.71741
H       3.98681   -4.64242   -3.57258
H       3.12280    8.57611    1.71741
H      -3.98682    4.64242    3.57258
H      -2.89380   -5.93684    0.99277
H       3.75782   -2.00315   -6.28277
H       2.89380    5.93684   -0.99277
H      -3.75782    2.00315    6.28277
H      -1.13611   -6.15190    1.13437
H       2.00012   -2.21822   -6.42437
H       1.13611    6.15190   -1.13437
H      -2.00012    2.21822    6.42437
H      -1.82207   -4.52002    0.99738
H       2.68609   -0.58634   -6.28738
H       1.82207    4.52002   -0.99738
H      -2.68609    0.58634    6.28738
H      -1.05425   -5.94432   -1.61954
H       1.91827   -2.01063   -3.67046
H       1.05425    5.94432    1.61954
H      -1.91827    2.01063    3.67046
H      -4.57297   -0.13421   -6.04847
H       5.43698    3.79950    0.75848
H       4.57297    0.13421    6.04847
H      -5.43698   -3.79950   -0.75848
H      -4.29738   -1.87561   -5.92002
H       5.16139    2.05809    0.63002
H       4.29738    1.87561    5.92002
H      -5.16139   -2.05809   -0.63002
H      -5.94643   -1.25440   -6.14221
H       6.81045    2.67931    0.85221
H       5.94643    1.25440    6.14221
H      -6.81045   -2.67931   -0.85221
H      -6.10712    0.34637   -2.67745
H       6.97114    4.28007   -2.61255
H       6.10712   -0.34637    2.67745
H      -6.97114   -4.28007    2.61255
H      -5.55038    1.16831   -4.14728
H       6.41440    5.10201   -1.14271
H       5.55038   -1.16831    4.14728
H      -6.41440   -5.10201    1.14271
H      -7.01342    0.16963   -4.19226
H       7.87743    4.10333   -1.09773
H       7.01342   -0.16963    4.19226
H      -7.87743   -4.10333    1.09773
H      -4.64508   -0.43619   -3.32524
H       5.50910    3.49751   -1.96475
H       4.64508    0.43619    3.32524
H      -5.50910   -3.49751    1.96475
H      -5.70699   -2.36877   -4.61490
H       6.57101    1.56493   -0.67510
H       5.70699    2.36877    4.61490
H      -6.57101   -1.56493    0.67510
H      -6.79631   -2.60631   -3.24446
H       7.66032    1.32738   -2.04553
H       6.79631    2.60631    3.24446
H      -7.66032   -1.32738    2.04553
H      -4.10296   -4.54543    0.15855
H       4.96697   -0.61174   -5.44854
H       4.10296    4.54543   -0.15855
H      -4.96697    0.61174    5.44854
H      -5.75904   -3.16149   -0.95539
H       6.62306    0.77220   -4.33461
H       5.75904    3.16149    0.95539
H      -6.62306   -0.77220    4.33461
H      -1.85368   -4.74726   -3.45096
H       2.71769   -0.81356   -1.83904
H       1.85368    4.74726    3.45096
H      -2.71769    0.81356    1.83904
H      -3.51169   -3.36165   -4.55946
H       4.37571    0.57205   -0.73053
H       3.51169    3.36165    4.55946
H      -4.37571   -0.57205    0.73053
O      -0.86070   -7.61807   -1.83355
O       1.72471   -3.68437   -3.45644
O       0.86070    7.61807    1.83355
O      -1.72471    3.68437    3.45644
O      -3.04480   -7.69818   -1.38936
O       3.90882   -3.76449   -3.90064
O       3.04480    7.69818    1.38936
O      -3.90882    3.76449    3.90064
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -0.96483   -1.86966   -4.81524
C       1.82884    2.06404   -0.47475
C       0.96483    1.86966    4.81524
C      -1.82884   -2.06404    0.47475
C      -1.40793    0.10139   -3.27149
C       2.27195    4.03508   -2.01850
C       1.40793   -0.10139    3.27149
C      -2.27195   -4.03508    2.01850
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -7.80282   -6.95539   -3.14866
H       8.66684   -3.02169   -2.14133
H       7.80282    6.95539    3.14866
H      -8.66684    3.02169    2.14133
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.10204   -1.71946   -4.64031
H       0.76197    2.21424   -0.64969
H      -0.10204    1.71946    4.64031
H      -0.76197   -2.21424    0.64969
H      -1.13901   -2.93222   -4.97786
H       2.00303    1.00148   -0.31213
H       1.13901    2.93222    4.97786
H      -2.00303   -1.00148    0.31213
H      -1.25883   -1.31665   -5.70603
H       2.12285    2.61706    0.41604
H       1.25883    1.31665    5.70603
H      -2.12285   -2.61706   -0.41604
H      -1.95010    0.43351   -2.38159
H       2.81412    4.36721   -2.90841
H       1.95010   -0.43351    2.38159
H      -2.81412   -4.36721    2.90841
H      -0.33840    0.18806   -3.08025
H       1.20242    4.12176   -2.20974
H       0.33840   -0.18806    3.08025
H      -1.20242   -4.12176    2.20974
H      -1.67252    0.74214   -4.10640
H       2.53654    4.67584   -1.18360
H       1.67252   -0.74214    4.10640
H      -2.53654   -4.67584    1.18360
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -6.07733   -8.19266   -1.90758
O       6.94134   -4.25896   -3.38241
O       6.07733    8.19266    1.90758
O      -6.94134    4.25896    3.38241
O      -7.29072   -6.43670   -2.55438
O       8.15474   -2.50300   -2.73562
O       7.29072    6.43670    2.55438
O      -8.15474    2.50300    2.73562
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -1.04557   -0.88173   -4.86357
C       1.90959    3.05197   -0.42642
C       1.04557    0.88173    4.86357
C      -1.90959   -3.05197    0.42642
C      -1.48517   -0.40750   -2.40463
C       2.34919    3.52619   -2.88537
C       1.48517    0.40750    2.40463
C      -2.34919   -3.52619    2.88537
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -7.80282   -6.95539   -3.14866
H       8.66684   -3.02169   -2.14133
H       7.80282    6.95539    3.14866
H      -8.66684    3.02169    2.14133
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.01959   -0.76014   -4.65863
H       0.84442    3.17356   -0.63137
H      -0.01959    0.76014    4.65863
H      -0.84442   -3.17356    0.63137
H      -1.15915   -1.60902   -5.66605
H       2.02317    2.32468    0.37606
H       1.15915    1.60902    5.66605
H      -2.02317   -2.32468   -0.37606
H      -1.45581    0.07461   -5.18433
H       2.31983    4.00831   -0.10566
H       1.45581   -0.07461    5.18433
H      -2.31983   -4.00831    0.10566
H      -1.96746   -0.77994   -1.49640
H       2.83148    3.15376   -3.79359
H       1.96746    0.77994    1.49640
H      -2.83148   -3.15376    3.79359
H      -0.41147   -0.34450   -2.22802
H       1.27549    3.58919   -3.06197
H       0.41147    0.34450    2.22802
H      -1.27549   -3.58919    3.06197
H      -1.86730    0.58356   -2.62694
H       2.73132    4.51725   -2.66306
H       1.86730   -0.58356    2.62694
H      -2.73132   -4.51725    2.66306
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -6.07733   -8.19266   -1.90758
O       6.94134   -4.25896   -3.38241
O       6.07733    8.19266    1.90758
O      -6.94134    4.25896    3.38241
O      -7.29072   -6.43670   -2.55438
O       8.15474   -2.50300   -2.73562
O       7.29072    6.43670    2.55438
O      -8.15474    2.50300    2.73562
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -1.03919   -0.93064   -4.87788
C       1.90321    3.00306   -0.41211
C       1.03919    0.93064    4.87788
C      -1.90321   -3.00306    0.41211
C      -1.48387   -0.36792   -2.43859
C       2.34789    3.56578   -2.85141
C       1.48387    0.36792    2.43859
C      -2.34788   -3.56578    2.85141
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -7.80282   -6.95539   -3.14866
H       8.66684   -3.02169   -2.14133
H       7.80282    6.95539    3.14866
H      -8.66684    3.02169    2.14133
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.02594   -0.80715   -4.67393
H       0.83807    3.12656   -0.61606
H      -0.02594    0.80715    4.67393
H      -0.83807   -3.12656    0.61606
H      -1.15399   -1.68518   -5.65461
H       2.01801    2.24852    0.36462
H       1.15399    1.68518    5.65461
H      -2.01801   -2.24852   -0.36462
H      -1.44365    0.01581   -5.23344
H       2.30766    3.94952   -0.05656
H       1.44365   -0.01581    5.23344
H      -2.30766   -3.94952    0.05656
H      -1.97078   -0.70575   -1.51936
H       2.83480    3.22794   -3.77063
H       1.97078    0.70575    1.51936
H      -2.83480   -3.22794    3.77063
H      -0.41041   -0.30402   -2.26086
H       1.27443    3.62968   -3.02913
H       0.41041    0.30402    2.26086
H      -1.27443   -3.62968    3.02913
H      -1.86033    0.61656   -2.69689
H       2.72435    4.55025   -2.59311
H       1.86033   -0.61656    2.69689
H      -2.72435   -4.55026    2.59311
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -6.07733   -8.19266   -1.90758
O       6.94134   -4.25896   -3.38241
O       6.07733    8.19266    1.90758
O      -6.94134    4.25896    3.38241
O      -7.29072   -6.43670   -2.55438
O       8.15474   -2.50300   -2.73562
O       7.29072    6.43670    2.55438
O      -8.15474    2.50300    2.73562
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -0.98527   -1.47292   -4.91909
C       1.84929    2.46078   -0.37091
C       0.98527    1.47292    4.91909
C      -1.84929   -2.46078    0.37091
C      -1.45174   -0.03024   -2.87810
C       2.31576    3.90346   -2.41189
C       1.45174    0.03024    2.87810
C      -2.31576   -3.90346    2.41189
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -7.80282   -6.95539   -3.14866
H       8.66684   -3.02169   -2.14133
H       7.80282    6.95539    3.14866
H      -8.66684    3.02169    2.14133
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.08034   -1.33174   -4.72960
H       0.78368    2.60196   -0.56040
H      -0.08034    1.33174    4.72960
H      -0.78368   -2.60196    0.56040
H      -1.12611   -2.45470   -5.36864
H       1.99012    1.47900    0.07864
H       1.12611    2.45470    5.36864
H      -1.99012   -1.47900   -0.07864
H      -1.32578   -0.70699   -5.61419
H       2.18980    3.22671    0.32420
H       1.32578    0.70699    5.61419
H      -2.18980   -3.22671   -0.32420
H      -1.97824    0.01755   -1.92065
H       2.84226    3.95124   -3.36934
H       1.97824   -0.01755    1.92065
H      -2.84226   -3.95124    3.36934
H      -0.38070    0.04556   -2.69075
H       1.24472    3.97926   -2.59925
H       0.38070   -0.04556    2.69075
H      -1.24472   -3.97926    2.59925
H      -1.76432    0.80559   -3.49561
H       2.62833    4.73929   -1.79438
H       1.76432   -0.80559    3.49561
H      -2.62833   -4.73929    1.79438
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -6.07733   -8.19266   -1.90758
O       6.94134   -4.25896   -3.38241
O       6.07733    8.19266    1.90758
O      -6.94134    4.25896    3.38241
O      -7.29072   -6.43670   -2.55438
O       8.15474   -2.50300   -2.73562
O       7.29072    6.43670    2.55438
O      -8.15474    2.50300    2.73562
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -0.98527   -1.47292   -4.91909
C       1.84929    2.46078   -0.37091
C       0.98527    1.47292    4.91909
C      -1.84929   -2.46078    0.37091
C      -1.45174   -0.03024   -2.87810
C       2.31576    3.90346   -2.41189
C       1.45174    0.03024    2.87810
C      -2.31576   -3.90346    2.41189
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -8.18073   -7.63773   -2.15520
H       9.04475   -3.70403   -3.13479
H       8.18073    7.63773    2.15520
H      -9.04474    3.70403    3.13479
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.08034   -1.33174   -4.72960
H       0.78368    2.60196   -0.56040
H      -0.08034    1.33174    4.72960
H      -0.78368   -2.60196    0.56040
H      -1.12611   -2.45470   -5.36864
H       1.99012    1.47900    0.07864
H       1.12611    2.45470    5.36864
H      -1.99012   -1.47900   -0.07864
H      -1.32578   -0.70699   -5.61419
H       2.18980    3.22671    0.32420
H       1.32578    0.70699    5.61419
H      -2.18980   -3.22671   -0.32420
H      -1.97824    0.01755   -1.92065
H       2.84226    3.95124   -3.36934
H       1.97824   -0.01755    1.92065
H      -2.84226   -3.95124    3.36934
H      -0.38070    0.04556   -2.69075
H       1.24472    3.97926   -2.59925
H       0.38070   -0.04556    2.69075
H      -1.24472   -3.97926    2.59925
H      -1.76432    0.80559   -3.49561
H       2.62833    4.73929   -1.79438
H       1.76432   -0.80559    3.49561
H      -2.62833   -4.73929    1.79438
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -5.79711   -7.56973   -2.75701
O       6.66112   -3.63603   -2.53299
O       5.79711    7.56973    2.75701
O      -6.66112    3.63603    2.53299
O      -7.64266   -7.11071   -1.59198
O       8.50668   -3.17702   -3.69801
O       7.64266    7.11071    1.59198
O      -8.50668    3.17702    3.69801
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -0.98527   -1.47292   -4.91909
C       1.84929    2.46078   -0.37091
C       0.98527    1.47292    4.91909
C      -1.84929   -2.46078    0.37091
C      -1.45174   -0.03024   -2.87810
C       2.31576    3.90346   -2.41189
C       1.45174    0.03024    2.87810
C      -2.31576   -3.90346    2.41189
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -8.15674   -7.24366   -2.55646
H       9.02076   -3.30996   -2.73353
H       8.15674    7.24366    2.55646
H      -9.02076    3.30996    2.73353
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.08034   -1.33174   -4.72960
H       0.78368    2.60196   -0.56040
H      -0.08034    1.33174    4.72960
H      -0.78368   -2.60196    0.56040
H      -1.12611   -2.45470   -5.36864
H       1.99012    1.47900    0.07864
H       1.12611    2.45470    5.36864
H      -1.99012   -1.47900   -0.07864
H      -1.32578   -0.70699   -5.61419
H       2.18980    3.22671    0.32420
H       1.32578    0.70699    5.61419
H      -2.18980   -3.22671   -0.32420
H      -1.97824    0.01755   -1.92065
H       2.84226    3.95124   -3.36934
H       1.97824   -0.01755    1.92065
H      -2.84226   -3.95124    3.36934
H      -0.38070    0.04556   -2.69075
H       1.24472    3.97926   -2.59925
H       0.38070   -0.04556    2.69075
H      -1.24472   -3.97926    2.59925
H      -1.76432    0.80559   -3.49561
H       2.62833    4.73929   -1.79438
H       1.76432   -0.80559    3.49561
H      -2.62833   -4.73929    1.79438
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -5.79609   -7.91986   -2.42027
O       6.66011   -3.98616   -2.86972
O       5.79609    7.91986    2.42027
O      -6.66011    3.98616    2.86972
O      -7.62651   -6.72462   -1.97860
O       8.49053   -2.79093   -3.31139
O       7.62651    6.72462    1.97860
O      -8.49053    2.79093    3.31139
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.31287   -6.99114   -1.80349
C       7.17689   -3.05745   -3.48650
C       6.31287    6.99114    1.80349
C      -7.17689    3.05745    3.48650
C      -6.30492   -5.65326    0.35941
C       7.16894   -1.71957   -5.64941
C       6.30492    5.65326   -0.35941
C      -7.16894    1.71957    5.64941
C      -5.49855   -6.10665   -0.88622
C       6.36257   -2.17295   -4.40377
C       5.49855    6.10665    0.88622
C      -6.36257    2.17295    4.40377
C      -0.98527   -1.47292   -4.91909
C       1.84929    2.46078   -0.37091
C       0.98527    1.47292    4.91909
C      -1.84929   -2.46078    0.37091
C      -1.45174   -0.03024   -2.87810
C       2.31576    3.90346   -2.41189
C       1.45174    0.03024    2.87810
C      -2.31576   -3.90346    2.41189
C      -1.77143   -1.37700   -3.58552
C       2.63544    2.55670   -1.70447
C       1.77143    1.37700    3.58552
C      -2.63544   -2.55670    1.70447
C      -3.30683   -1.51314   -3.80228
C       4.17085    2.42056   -1.48772
C       3.30683    1.51314    3.80228
C      -4.17085   -2.42056    1.48772
C      -5.44593   -3.61318   -1.42263
C       6.30995    0.32052   -3.86736
C       5.44593    3.61318    1.42263
C      -6.30995   -0.32052    3.86736
C      -4.92315   -2.52030   -2.12561
C       5.78716    1.41339   -3.16439
C       4.92315    2.52030    2.12561
C      -5.78716   -1.41339    3.16439
C      -4.95092   -4.91188   -1.64749
C       5.81494   -0.97819   -3.64250
C       4.95092    4.91188    1.64749
C      -5.81494    0.97819    3.64250
C      -3.91812   -5.08817   -2.58326
C       4.78214   -1.15447   -2.70673
C       3.91812    5.08817    2.58326
C      -4.78214    1.15447    2.70673
C      -3.89579   -2.70240   -3.07249
C       4.75980    1.23130   -2.21750
C       3.89579    2.70240    3.07249
C      -4.75980   -1.23130    2.21750
C      -3.39412   -3.99708   -3.28832
C       4.25814   -0.06338   -2.00167
C       3.39412    3.99708    3.28832
C      -4.25814    0.06338    2.00167
H      -8.13055   -7.18873   -2.63266
H       8.99457   -3.25504   -2.65733
H       8.13055    7.18873    2.63266
H      -8.99457    3.25504    2.65733
H      -7.16600   -5.05106    0.06557
H       8.03002   -1.11737   -5.35557
H       7.16600    5.05106   -0.06557
H      -8.03002    1.11737    5.35557
H      -6.65729   -6.52957    0.90878
H       7.52130   -2.59588   -6.19877
H       6.65729    6.52957   -0.90878
H      -7.52130    2.59588    6.19877
H      -5.66617   -5.06050    1.01762
H       6.53019   -1.12681   -6.30762
H       5.66617    5.06050   -1.01762
H      -6.53019    1.12681    6.30762
H      -5.03064   -7.01633   -1.27088
H       5.89466   -3.08263   -4.01911
H       5.03064    7.01633    1.27088
H      -5.89466    3.08263    4.01911
H       0.08034   -1.33174   -4.72960
H       0.78368    2.60196   -0.56040
H      -0.08034    1.33174    4.72960
H      -0.78368   -2.60196    0.56040
H      -1.12611   -2.45470   -5.36864
H       1.99012    1.47900    0.07864
H       1.12611    2.45470    5.36864
H      -1.99012   -1.47900   -0.07864
H      -1.32578   -0.70699   -5.61419
H       2.18980    3.22671    0.32420
H       1.32578    0.70699    5.61419
H      -2.18980   -3.22671   -0.32420
H      -1.97824    0.01755   -1.92065
H       2.84226    3.95124   -3.36934
H       1.97824   -0.01755    1.92065
H      -2.84226   -3.95124    3.36934
H      -0.38070    0.04556   -2.69075
H       1.24472    3.97926   -2.59925
H       0.38070   -0.04556    2.69075
H      -1.24472   -3.97926    2.59925
H      -1.76432    0.80559   -3.49561
H       2.62833    4.73929   -1.79438
H       1.76432   -0.80559    3.49561
H      -2.62833   -4.73929    1.79438
H      -1.57442   -1.30180   -2.51253
H       2.43843    2.63190   -2.77746
H       1.57442    1.30180    2.51253
H      -2.43843   -2.63190    2.77746
H      -2.78112   -1.85666   -4.69466
H       3.64514    2.07704   -0.59533
H       2.78112    1.85666    4.69466
H      -3.64514   -2.07704    0.59533
H      -4.13273   -0.86975   -4.12872
H       4.99675    3.06395   -1.16128
H       4.13273    0.86975    4.12872
H      -4.99675   -3.06395    1.16128
H      -6.20980   -3.45001   -0.71948
H       7.07382    0.48368   -4.57051
H       6.20980    3.45001    0.71948
H      -7.07382   -0.48368    4.57051
H      -5.30172   -1.55765   -1.94142
H       6.16573    2.37604   -3.34858
H       5.30172    1.55765    1.94142
H      -6.16573   -2.37604    3.34858
H      -3.52466   -6.04815   -2.76112
H       4.38867   -2.11445   -2.52888
H       3.52466    6.04815    2.76112
H      -4.38867    2.11445    2.52888
H      -2.61899   -4.15222   -3.97887
H       3.48301   -0.21852   -1.31112
H       2.61899    4.15222    3.97887
H      -3.48301    0.21852    1.31112
O      -5.81507   -7.96979   -2.35525
O       6.67909   -4.03610   -2.93474
O       5.81507    7.96979    2.35525
O      -6.67909    4.03610    2.93474
O      -7.60225   -6.67044   -2.05237
O       8.46627   -2.73674   -3.23762
O       7.60225    6.67044    2.05237
O      -8.46627    2.73674    3.23762
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.45052   -3.26293    0.86964
C       5.58650   -7.19663    4.42035
C       6.45052    3.26293   -0.86964
C      -5.58650    7.19663   -4.42035
C      -6.44257   -1.92505    3.03255
C       5.57855   -5.85875    2.25745
C       6.44257    1.92505   -3.03255
C      -5.57855    5.85875   -2.25745
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.12292    2.25529   -2.24596
C       0.25890   -1.67840    7.53595
C       1.12292   -2.25529    2.24596
C      -0.25890    1.67840   -7.53595
C      -1.58939    3.69797   -0.20497
C       0.72537   -0.23572    5.49496
C       1.58939   -3.69797    0.20497
C      -0.72537    0.23572   -5.49496
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -8.26820   -3.46052    0.04047
H       7.40418   -7.39421    5.24953
H       8.26820    3.46052   -0.04047
H      -7.40418    7.39421   -5.24953
H      -7.30365   -1.32285    2.73870
H       6.43963   -5.25655    2.55129
H       7.30365    1.32285   -2.73870
H      -6.43963    5.25655   -2.55129
H      -6.79493   -2.80136    3.58191
H       5.93092   -6.73506    1.70808
H       6.79493    2.80136   -3.58191
H      -5.93092    6.73506   -1.70809
H      -5.80382   -1.33229    3.69075
H       4.93980   -5.26599    1.59924
H       5.80382    1.33229   -3.69075
H      -4.93981    5.26599   -1.59924
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05731    2.39647   -2.05647
H      -0.80671   -1.53721    7.34646
H       0.05731   -2.39647    2.05647
H       0.80671    1.53721   -7.34646
H      -1.26375    1.27351   -2.69550
H       0.39974   -2.66018    7.98550
H       1.26375   -1.27351    2.69550
H      -0.39974    2.66018   -7.98550
H      -1.46343    3.02122   -2.94106
H       0.59941   -0.91246    8.23106
H       1.46343   -3.02122    2.94106
H      -0.59941    0.91246   -8.23106
H      -2.11589    3.74576    0.75248
H       1.25187   -0.18793    4.53752
H       2.11589   -3.74576   -0.75248
H      -1.25187    0.18793   -4.53752
H      -0.51835    3.77377   -0.01762
H      -0.34567   -0.15992    5.30761
H       0.51835   -3.77377    0.01762
H       0.34567    0.15992   -5.30761
H      -1.90197    4.53380   -0.82248
H       1.03795    0.60012    6.11247
H       1.90197   -4.53380    0.82248
H      -1.03795   -0.60012   -6.11247
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.95272   -4.24158    0.31788
O       5.08870   -8.17527    4.97212
O       5.95272    4.24158   -0.31788
O      -5.08870    8.17527   -4.97212
O      -7.73990   -2.94223    0.62076
O       6.87588   -6.87592    4.66924
O       7.73990    2.94223   -0.62076
O      -6.87588    6.87592   -4.66924
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.15815   -3.42403    0.82714
C       5.29413   -7.35772    4.46285
C       6.15815    3.42403   -0.82714
C      -5.29413    7.35772   -4.46285
C      -6.71027   -1.93964    2.81709
C       5.84625   -5.87333    2.47290
C       6.71027    1.93964   -2.81709
C      -5.84625    5.87333   -2.47290
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.12292    2.25529   -2.24596
C       0.25890   -1.67840    7.53595
C       1.12292   -2.25529    2.24596
C      -0.25890    1.67840   -7.53595
C      -1.58939    3.69797   -0.20497
C       0.72537   -0.23572    5.49496
C       1.58939   -3.69797    0.20497
C      -0.72537    0.23572   -5.49496
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.75131   -3.91026   -0.29353
H       6.88729   -7.84395    5.58352
H       7.75131    3.91026    0.29353
H      -6.88729    7.84395   -5.58352
H      -7.56056   -1.47434    2.31614
H       6.69655   -5.40804    2.97385
H       7.56056    1.47434   -2.31614
H      -6.69655    5.40804   -2.97385
H      -7.06213   -2.81039    3.37554
H       6.19811   -6.74409    1.91445
H       7.06213    2.81039   -3.37554
H      -6.19811    6.74409   -1.91445
H      -6.27805   -1.22395    3.51965
H       5.41403   -5.15765    1.77035
H       6.27805    1.22395   -3.51965
H      -5.41403    5.15765   -1.77035
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05731    2.39647   -2.05647
H      -0.80671   -1.53721    7.34646
H       0.05731   -2.39647    2.05647
H       0.80671    1.53721   -7.34646
H      -1.26375    1.27351   -2.69550
H       0.39974   -2.66018    7.98550
H       1.26375   -1.27351    2.69550
H      -0.39974    2.66018   -7.98550
H      -1.46343    3.02122   -2.94106
H       0.59941   -0.91246    8.23106
H       1.46343   -3.02122    2.94106
H      -0.59941    0.91246   -8.23106
H      -2.11589    3.74576    0.75248
H       1.25187   -0.18793    4.53752
H       2.11589   -3.74576   -0.75248
H      -1.25187    0.18793   -4.53752
H      -0.51835    3.77377   -0.01762
H      -0.34567   -0.15992    5.30761
H       0.51835   -3.77377    0.01762
H       0.34567    0.15992   -5.30761
H      -1.90197    4.53380   -0.82248
H       1.03795    0.60012    6.11247
H       1.90197   -4.53380    0.82248
H      -1.03795   -0.60012   -6.11247
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.45949   -4.37010    0.47101
O       4.59547   -8.30379    4.81899
O       5.45949    4.37010   -0.47101
O      -4.59547    8.30379   -4.81899
O      -7.40376   -3.28795    0.31999
O       6.53975   -7.22164    4.97001
O       7.40376    3.28795   -0.31999
O      -6.53974    7.22164   -4.97001
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.15815   -3.42403    0.82714
C       5.29413   -7.35772    4.46285
C       6.15815    3.42403   -0.82714
C      -5.29413    7.35772   -4.46285
C      -6.71027   -1.93964    2.81709
C       5.84625   -5.87333    2.47290
C       6.71027    1.93964   -2.81709
C      -5.84625    5.87333   -2.47290
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.12292    2.25529   -2.24596
C       0.25890   -1.67840    7.53595
C       1.12292   -2.25529    2.24596
C      -0.25890    1.67840   -7.53595
C      -1.58939    3.69797   -0.20497
C       0.72537   -0.23572    5.49496
C       1.58939   -3.69797    0.20497
C      -0.72537    0.23572   -5.49496
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.67138   -3.82512   -0.42976
H       6.80736   -7.75881    5.71975
H       7.67137    3.82512    0.42976
H      -6.80736    7.75881   -5.71975
H      -7.56056   -1.47434    2.31614
H       6.69655   -5.40804    2.97385
H       7.56056    1.47434   -2.31614
H      -6.69655    5.40804   -2.97385
H      -7.06213   -2.81039    3.37554
H       6.19811   -6.74409    1.91445
H       7.06213    2.81039   -3.37554
H      -6.19811    6.74409   -1.91445
H      -6.27805   -1.22395    3.51965
H       5.41403   -5.15765    1.77035
H       6.27805    1.22395   -3.51965
H      -5.41403    5.15765   -1.77035
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05731    2.39647   -2.05647
H      -0.80671   -1.53721    7.34646
H       0.05731   -2.39647    2.05647
H       0.80671    1.53721   -7.34646
H      -1.26375    1.27351   -2.69550
H       0.39974   -2.66018    7.98550
H       1.26375   -1.27351    2.69550
H      -0.39974    2.66018   -7.98550
H      -1.46343    3.02122   -2.94106
H       0.59941   -0.91246    8.23106
H       1.46343   -3.02122    2.94106
H      -0.59941    0.91246   -8.23106
H      -2.11589    3.74576    0.75248
H       1.25187   -0.18793    4.53752
H       2.11589   -3.74576   -0.75248
H      -1.25187    0.18793   -4.53752
H      -0.51835    3.77377   -0.01762
H      -0.34567   -0.15992    5.30761
H       0.51835   -3.77377    0.01762
H       0.34567    0.15992   -5.30761
H      -1.90197    4.53380   -0.82248
H       1.03795    0.60012    6.11247
H       1.90197   -4.53380    0.82248
H      -1.03795   -0.60012   -6.11247
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.52162   -4.44794    0.58960
O       4.65761   -8.38163    4.70040
O       5.52162    4.44794   -0.58960
O      -4.65761    8.38163   -4.70040
O      -7.32838   -3.20381    0.18732
O       6.46436   -7.13750    5.10267
O       7.32838    3.20381   -0.18732
O      -6.46436    7.13750   -5.10267
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.12292    2.25529   -2.24596
C       0.25890   -1.67840    7.53595
C       1.12292   -2.25529    2.24596
C      -0.25890    1.67840   -7.53595
C      -1.58939    3.69797   -0.20497
C       0.72537   -0.23572    5.49496
C       1.58939   -3.69797    0.20497
C      -0.72537    0.23572   -5.49496
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.84232   -3.69374   -0.34652
H       6.97830   -7.62743    5.63652
H       7.84232    3.69374    0.34652
H      -6.97830    7.62743   -5.63652
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05731    2.39647   -2.05647
H      -0.80671   -1.53721    7.34646
H       0.05731   -2.39647    2.05647
H       0.80671    1.53721   -7.34646
H      -1.26375    1.27351   -2.69550
H       0.39974   -2.66018    7.98550
H       1.26375   -1.27351    2.69550
H      -0.39974    2.66018   -7.98550
H      -1.46343    3.02122   -2.94106
H       0.59941   -0.91246    8.23106
H       1.46343   -3.02122    2.94106
H      -0.59941    0.91246   -8.23106
H      -2.11589    3.74576    0.75248
H       1.25187   -0.18793    4.53752
H       2.11589   -3.74576   -0.75248
H      -1.25187    0.18793   -4.53752
H      -0.51835    3.77377   -0.01762
H      -0.34567   -0.15992    5.30761
H       0.51835   -3.77377    0.01762
H       0.34567    0.15992   -5.30761
H      -1.90197    4.53380   -0.82248
H       1.03795    0.60012    6.11247
H       1.90197   -4.53380    0.82248
H      -1.03795   -0.60012   -6.11247
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.66342   -4.41809    0.53446
O       4.79940   -8.35178    4.75553
O       5.66342    4.41809   -0.53446
O      -4.79940    8.35178   -4.75553
O      -7.44331   -3.10142    0.26536
O       6.57929   -7.03511    5.02463
O       7.44331    3.10142   -0.26536
O      -6.57929    7.03511   -5.02463
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.12292    2.25529   -2.24596
C       0.25890   -1.67840    7.53595
C       1.12292   -2.25529    2.24596
C      -0.25890    1.67840   -7.53595
C      -1.58939    3.69797   -0.20497
C       0.72537   -0.23572    5.49496
C       1.58939   -3.69797    0.20497
C      -0.72537    0.23572   -5.49496
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.86161   -3.71219   -0.31480
H       6.99759   -7.64588    5.60480
H       7.86161    3.71219    0.31480
H      -6.99759    7.64588   -5.60480
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05731    2.39647   -2.05647
H      -0.80671   -1.53721    7.34646
H       0.05731   -2.39647    2.05647
H       0.80671    1.53721   -7.34646
H      -1.26375    1.27351   -2.69550
H       0.39974   -2.66018    7.98550
H       1.26375   -1.27351    2.69550
H      -0.39974    2.66018   -7.98550
H      -1.46343    3.02122   -2.94106
H       0.59941   -0.91246    8.23106
H       1.46343   -3.02122    2.94106
H      -0.59941    0.91246   -8.23106
H      -2.11589    3.74576    0.75248
H       1.25187   -0.18793    4.53752
H       2.11589   -3.74576   -0.75248
H      -1.25187    0.18793   -4.53752
H      -0.51835    3.77377   -0.01762
H      -0.34567   -0.15992    5.30761
H       0.51835   -3.77377    0.01762
H       0.34567    0.15992   -5.30761
H      -1.90197    4.53380   -0.82248
H       1.03795    0.60012    6.11247
H       1.90197   -4.53380    0.82248
H      -1.03795   -0.60012   -6.11247
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.64830   -4.40104    0.50688
O       4.78429   -8.33473    4.78311
O       5.64830    4.40104   -0.50688
O      -4.78429    8.33473   -4.78311
O      -7.46155   -3.11971    0.29624
O       6.59754   -7.05340    4.99375
O       7.46156    3.11971   -0.29624
O      -6.59754    7.05340   -4.99375
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.11620    2.15554   -2.23098
C       0.25218   -1.77814    7.52098
C       1.11620   -2.15554    2.23098
C      -0.25218    1.77814   -7.52098
C      -1.58007    3.74066   -0.29790
C       0.71605   -0.19303    5.58790
C       1.58007   -3.74066    0.29790
C      -0.71605    0.19303   -5.58790
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.86161   -3.71219   -0.31480
H       6.99759   -7.64588    5.60480
H       7.86161    3.71219    0.31480
H      -6.99759    7.64588   -5.60480
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05035    2.29932   -2.04482
H      -0.81367   -1.63437    7.33482
H       0.05035   -2.29932    2.04482
H       0.81367    1.63437   -7.33482
H      -1.26423    1.14635   -2.61234
H       0.40021   -2.78734    7.90234
H       1.26423   -1.14635    2.61234
H      -0.40021    2.78734   -7.90234
H      -1.44499    2.87466   -2.97967
H       0.58097   -1.05902    8.26966
H       1.44499   -2.87466    2.97967
H      -0.58097    1.05902   -8.26966
H      -2.11162    3.85975    0.65050
H       1.24760   -0.07395    4.63950
H       2.11162   -3.85975   -0.65050
H      -1.24760    0.07395   -4.63950
H      -0.50943    3.81901   -0.10931
H      -0.35459   -0.11468    5.39931
H       0.50943   -3.81901    0.10931
H       0.35459    0.11468   -5.39931
H      -1.88068    4.53462   -0.97384
H       1.01666    0.60093    6.26384
H       1.88068   -4.53462    0.97384
H      -1.01666   -0.60093   -6.26384
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.64830   -4.40104    0.50688
O       4.78429   -8.33473    4.78311
O       5.64830    4.40104   -0.50688
O      -4.78429    8.33473   -4.78311
O      -7.46155   -3.11971    0.29624
O       6.59754   -7.05340    4.99375
O       7.46156    3.11971   -0.29624
O      -6.59754    7.05340   -4.99375
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.11729    2.17265   -2.23406
C       0.25327   -1.76103    7.52405
C       1.11729   -2.17265    2.23406
C      -0.25327    1.76103   -7.52405
C      -1.58176    3.73377   -0.28169
C       0.71774   -0.19992    5.57169
C       1.58176   -3.73377    0.28169
C      -0.71774    0.19992   -5.57169
C      -1.90908    2.35121   -0.91239
C       1.04506   -1.58248    6.20239
C       1.90907   -2.35121    0.91239
C      -1.04506    1.58248   -6.20239
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.86161   -3.71219   -0.31480
H       6.99759   -7.64588    5.60480
H       7.86161    3.71219    0.31480
H      -6.99759    7.64588   -5.60480
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.05148    2.31600   -2.04731
H      -0.81254   -1.61769    7.33731
H       0.05148   -2.31600    2.04731
H       0.81254    1.61769   -7.33731
H      -1.26403    1.16783   -2.62729
H       0.40001   -2.76585    7.91729
H       1.26403   -1.16783    2.62729
H      -0.40001    2.76585   -7.91729
H      -1.44809    2.90011   -2.97375
H       0.58407   -1.03358    8.26375
H       1.44809   -2.90011    2.97375
H      -0.58407    1.03358   -8.26375
H      -2.11249    3.84062    0.66862
H       1.24848   -0.09307    4.62137
H       2.11249   -3.84062   -0.66862
H      -1.24848    0.09307   -4.62137
H      -0.51105    3.81168   -0.09330
H      -0.35297   -0.12201    5.38329
H       0.51105   -3.81168    0.09330
H       0.35297    0.12201   -5.38329
H      -1.88442    4.53524   -0.94778
H       1.02041    0.60155    6.23777
H       1.88442   -4.53524    0.94778
H      -1.02041   -0.60155   -6.23777
H      -1.71206    2.42641    0.16060
H       0.84805   -1.50728    5.12939
H       1.71206   -2.42641   -0.16060
H      -0.84805    1.50728   -5.12939
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.64830   -4.40104    0.50688
O       4.78429   -8.33473    4.78311
O       5.64830    4.40104   -0.50688
O      -4.78429    8.33473   -4.78311
O      -7.46155   -3.11971    0.29624
O       6.59754   -7.05340    4.99375
O       7.46156    3.11971   -0.29624
O      -6.59754    7.05340   -4.99375
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.07993    2.20421   -2.15247
C       0.21591   -1.72947    7.44247
C       1.07993   -2.20421    2.15247
C      -0.21591    1.72947   -7.44247
C      -1.64451    3.78747   -0.24483
C       0.78050   -0.14622    5.53482
C       1.64451   -3.78747    0.24483
C      -0.78050    0.14622   -5.53482
C      -1.92073    2.38781   -0.86214
C       1.05671   -1.54588    6.15213
C       1.92073   -2.38781    0.86214
C      -1.05671    1.54588   -6.15213
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.86161   -3.71219   -0.31480
H       6.99759   -7.64588    5.60480
H       7.86161    3.71219    0.31480
H      -6.99759    7.64588   -5.60480
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.02449    2.37356   -1.93172
H      -0.83953   -1.56013    7.22172
H       0.02449   -2.37356    1.93172
H       0.83953    1.56013   -7.22172
H      -1.19187    1.19002   -2.53289
H       0.32785   -2.74366    7.82289
H       1.19187   -1.19002    2.53289
H      -0.32785    2.74366   -7.82289
H      -1.39996    2.91189   -2.91571
H       0.53595   -1.02179    8.20571
H       1.39996   -2.91189    2.91571
H      -0.53595    1.02179   -8.20571
H      -2.21007    3.89878    0.68466
H       1.34605   -0.03491    4.60533
H       2.21007   -3.89878   -0.68466
H      -1.34605    0.03491   -4.60533
H      -0.58286    3.89153   -0.02112
H      -0.28116   -0.04216    5.31112
H       0.58286   -3.89153    0.02112
H       0.28116    0.04216   -5.31112
H      -1.94055    4.57097   -0.93484
H       1.07653    0.63728    6.22484
H       1.94055   -4.57097    0.93484
H      -1.07653   -0.63728   -6.22484
H      -1.76274    2.48520    0.21552
H       0.89872   -1.44849    5.07448
H       1.76274   -2.48520   -0.21552
H      -0.89872    1.44849   -5.07448
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.64830   -4.40104    0.50688
O       4.78429   -8.33473    4.78311
O       5.64830    4.40104   -0.50688
O      -4.78429    8.33473   -4.78311
O      -7.46155   -3.11971    0.29624
O       6.59754   -7.05340    4.99375
O       7.46156    3.11971   -0.29624
O      -6.59754    7.05340   -4.99375
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.07440    2.13002   -2.13606
C       0.21038   -1.80367    7.42605
C       1.07440   -2.13002    2.13606
C      -0.21038    1.80367   -7.42605
C      -1.63510    3.81508   -0.31651
C       0.77108   -0.11861    5.60651
C       1.63510   -3.81508    0.31651
C      -0.77108    0.11861   -5.60651
C      -1.92073    2.38781   -0.86214
C       1.05671   -1.54588    6.15213
C       1.92073   -2.38781    0.86214
C      -1.05671    1.54588   -6.15213
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.86161   -3.71219   -0.31480
H       6.99759   -7.64588    5.60480
H       7.86161    3.71219    0.31480
H      -6.99759    7.64588   -5.60480
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.01870    2.30115   -1.91794
H      -0.84531   -1.63254    7.20793
H       0.01870   -2.30115    1.91794
H       0.84531    1.63254   -7.20793
H      -1.19355    1.09850   -2.46409
H       0.32954   -2.83518    7.75408
H       1.19355   -1.09850    2.46409
H      -0.32954    2.83518   -7.75408
H      -1.38357    2.79998   -2.93689
H       0.51956   -1.13370    8.22688
H       1.38357   -2.79998    2.93689
H      -0.51956    1.13370   -8.22688
H      -2.20484    3.97952    0.60248
H       1.34082    0.04582    4.68751
H       2.20484   -3.97952   -0.60248
H      -1.34082   -0.04582   -4.68751
H      -0.57381    3.92112   -0.09201
H      -0.29021   -0.01257    5.38201
H       0.57381   -3.92112    0.09201
H       0.29021    0.01257   -5.38201
H      -1.91998    4.56435   -1.04800
H       1.05596    0.63066    6.33799
H       1.91998   -4.56435    1.04800
H      -1.05596   -0.63066   -6.33799
H      -1.76274    2.48520    0.21552
H       0.89872   -1.44849    5.07448
H       1.76274   -2.48520   -0.21552
H      -0.89872    1.44849   -5.07448
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.64830   -4.40104    0.50688
O       4.78429   -8.33473    4.78311
O       5.64830    4.40104   -0.50688
O      -4.78429    8.33473   -4.78311
O      -7.46155   -3.11971    0.29624
O       6.59754   -7.05340    4.99375
O       7.46156    3.11971   -0.29624
O      -6.59754    7.05340   -4.99375
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.07440    2.13002   -2.13606
C       0.21038   -1.80367    7.42605
C       1.07440   -2.13002    2.13606
C      -0.21038    1.80367   -7.42605
C      -1.63510    3.81508   -0.31651
C       0.77108   -0.11861    5.60651
C       1.63510   -3.81508    0.31651
C      -0.77108    0.11861   -5.60651
C      -1.92073    2.38781   -0.86214
C       1.05671   -1.54588    6.15213
C       1.92073   -2.38781    0.86214
C      -1.05671    1.54588   -6.15213
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.87657   -3.72792   -0.28872
H       7.01255   -7.66161    5.57872
H       7.87657    3.72792    0.28872
H      -7.01255    7.66161   -5.57872
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.01870    2.30115   -1.91794
H      -0.84531   -1.63254    7.20793
H       0.01870   -2.30115    1.91794
H       0.84531    1.63254   -7.20793
H      -1.19355    1.09850   -2.46409
H       0.32954   -2.83518    7.75408
H       1.19355   -1.09850    2.46409
H      -0.32954    2.83518   -7.75408
H      -1.38357    2.79998   -2.93689
H       0.51956   -1.13370    8.22688
H       1.38357   -2.79998    2.93689
H      -0.51956    1.13370   -8.22688
H      -2.20484    3.97952    0.60248
H       1.34082    0.04582    4.68751
H       2.20484   -3.97952   -0.60248
H      -1.34082   -0.04582   -4.68751
H      -0.57381    3.92112   -0.09201
H      -0.29021   -0.01257    5.38201
H       0.57381   -3.92112    0.09201
H       0.29021    0.01257   -5.38201
H      -1.91998    4.56435   -1.04800
H       1.05596    0.63066    6.33799
H       1.91998   -4.56435    1.04800
H      -1.05596   -0.63066   -6.33799
H      -1.76274    2.48520    0.21552
H       0.89872   -1.44849    5.07448
H       1.76274   -2.48520   -0.21552
H      -0.89872    1.44849   -5.07448
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.63668   -4.38657    0.48425
O       4.77266   -8.32026    4.80575
O       5.63668    4.38657   -0.48425
O      -4.77266    8.32026   -4.80575
O      -7.47567   -3.13528    0.32162
O       6.61165   -7.06897    4.96838
O       7.47567    3.13528   -0.32162
O      -6.61165    7.06897   -4.96838
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.24818   -3.37927    0.83262
C       5.38417   -7.31297    4.45737
C       6.24818    3.37927   -0.83262
C      -5.38417    7.31297   -4.45737
C      -6.63489   -1.93000    2.88645
C       5.77087   -5.86369    2.40354
C       6.63489    1.93000   -2.88645
C      -5.77087    5.86369   -2.40354
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.07689    2.16447   -2.14419
C       0.21287   -1.76922    7.43418
C       1.07689   -2.16447    2.14419
C      -0.21287    1.76922   -7.43418
C      -1.63958    3.80270   -0.28296
C       0.77557   -0.13099    5.57296
C       1.63958   -3.80270    0.28296
C      -0.77557    0.13099   -5.57296
C      -1.92073    2.38781   -0.86214
C       1.05671   -1.54588    6.15213
C       1.92073   -2.38781    0.86214
C      -1.05671    1.54588   -6.15213
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.87657   -3.72792   -0.28872
H       7.01255   -7.66161    5.57872
H       7.87657    3.72792    0.28872
H      -7.01255    7.66161   -5.57872
H      -7.49418   -1.42216    2.44581
H       6.63016   -5.35585    2.84419
H       7.49418    1.42216   -2.44581
H      -6.63016    5.35585   -2.84419
H      -6.98666   -2.80250    3.44224
H       6.12264   -6.73619    1.84776
H       6.98666    2.80250   -3.44224
H      -6.12264    6.73619   -1.84776
H      -6.13869   -1.24878    3.58095
H       5.27467   -5.18248    1.70905
H       6.13869    1.24878   -3.58095
H      -5.27467    5.18248   -1.70905
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.02132    2.33478   -1.92483
H      -0.84270   -1.59890    7.21482
H       0.02132   -2.33478    1.92483
H       0.84270    1.59890   -7.21482
H      -1.19262    1.14067   -2.49672
H       0.32861   -2.79301    7.78671
H       1.19262   -1.14067    2.49672
H      -0.32861    2.79301   -7.78671
H      -1.39110    2.85225   -2.92776
H       0.52709   -1.08144    8.21776
H       1.39110   -2.85225    2.92776
H      -0.52709    1.08144   -8.21776
H      -2.20745    3.94246    0.64127
H       1.34343    0.00877    4.64873
H       2.20745   -3.94246   -0.64127
H      -1.34343   -0.00877   -4.64873
H      -0.57813    3.90781   -0.05882
H      -0.28589   -0.02588    5.34881
H       0.57813   -3.90781    0.05882
H       0.28589    0.02588   -5.34881
H      -1.92965    4.56819   -0.99537
H       1.06563    0.63450    6.28536
H       1.92965   -4.56819    0.99537
H      -1.06563   -0.63450   -6.28536
H      -1.76274    2.48520    0.21552
H       0.89872   -1.44849    5.07448
H       1.76274   -2.48520   -0.21552
H      -0.89872    1.44849   -5.07448
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.63668   -4.38657    0.48425
O       4.77266   -8.32026    4.80575
O       5.63668    4.38657   -0.48425
O      -4.77266    8.32026   -4.80575
O      -7.47567   -3.13528    0.32162
O       6.61165   -7.06897    4.96838
O       7.47567    3.13528   -0.32162
O      -6.61165    7.06897   -4.96838
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.26958   -3.36804    0.83487
C       5.40557   -7.30173    4.45513
C       6.26958    3.36804   -0.83487
C      -5.40557    7.30173   -4.45513
C      -6.61613   -1.92834    2.90256
C       5.75211   -5.86204    2.38744
C       6.61613    1.92834   -2.90256
C      -5.75211    5.86204   -2.38744
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.07689    2.16447   -2.14419
C       0.21287   -1.76922    7.43418
C       1.07689   -2.16447    2.14419
C      -0.21287    1.76922   -7.43418
C      -1.63958    3.80270   -0.28296
C       0.77557   -0.13099    5.57296
C       1.63958   -3.80270    0.28296
C      -0.77557    0.13099   -5.57296
C      -1.92073    2.38781   -0.86214
C       1.05671   -1.54588    6.15213
C       1.92073   -2.38781    0.86214
C      -1.05671    1.54588   -6.15213
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.91584   -3.69577   -0.26651
H       7.05182   -7.62946    5.55650
H       7.91584    3.69577    0.26651
H      -7.05182    7.62946   -5.55650
H      -7.47686   -1.41045    2.47666
H       6.61284   -5.34414    2.81333
H       7.47686    1.41045   -2.47666
H      -6.61284    5.34414   -2.81333
H      -6.96791   -2.80125    3.45769
H       6.10389   -6.73495    1.83230
H       6.96791    2.80125   -3.45769
H      -6.10389    6.73495   -1.83230
H      -6.10478   -1.25573    3.59444
H       5.24076   -5.18943    1.69555
H       6.10478    1.25573   -3.59444
H      -5.24076    5.18943   -1.69555
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.02132    2.33478   -1.92483
H      -0.84270   -1.59890    7.21482
H       0.02132   -2.33478    1.92483
H       0.84270    1.59890   -7.21482
H      -1.19262    1.14067   -2.49672
H       0.32861   -2.79301    7.78671
H       1.19262   -1.14067    2.49672
H      -0.32861    2.79301   -7.78671
H      -1.39110    2.85225   -2.92776
H       0.52709   -1.08144    8.21776
H       1.39110   -2.85225    2.92776
H      -0.52709    1.08144   -8.21776
H      -2.20745    3.94246    0.64127
H       1.34343    0.00877    4.64873
H       2.20745   -3.94246   -0.64127
H      -1.34343   -0.00877   -4.64873
H      -0.57813    3.90781   -0.05882
H      -0.28589   -0.02588    5.34881
H       0.57813   -3.90781    0.05882
H       0.28589    0.02588   -5.34881
H      -1.92965    4.56819   -0.99537
H       1.06563    0.63450    6.28536
H       1.92965   -4.56819    0.99537
H      -1.06563   -0.63450   -6.28536
H      -1.76274    2.48520    0.21552
H       0.89872   -1.44849    5.07448
H       1.76274   -2.48520   -0.21552
H      -0.89872    1.44849   -5.07448
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.67153   -4.37833    0.47211
O       4.80751   -8.31202    4.81788
O       5.67153    4.37833   -0.47211
O      -4.80751    8.31202   -4.81788
O      -7.50168   -3.11039    0.34198
O       6.63766   -7.04408    4.94802
O       7.50168    3.11039   -0.34198
O      -6.63766    7.04408   -4.94802
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.26958   -3.36804    0.83487
C       5.40557   -7.30173    4.45513
C       6.26958    3.36804   -0.83487
C      -5.40557    7.30173   -4.45513
C      -6.61613   -1.92834    2.90256
C       5.75211   -5.86204    2.38744
C       6.61613    1.92834   -2.90256
C      -5.75211    5.86204   -2.38744
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.07689    2.16447   -2.14419
C       0.21287   -1.76922    7.43418
C       1.07689   -2.16447    2.14419
C      -0.21287    1.76922   -7.43418
C      -1.63958    3.80270   -0.28296
C       0.77557   -0.13099    5.57296
C       1.63958   -3.80270    0.28296
C      -0.77557    0.13099   -5.57296
C      -1.92073    2.38781   -0.86214
C       1.05671   -1.54588    6.15213
C       1.92073   -2.38781    0.86214
C      -1.05671    1.54588   -6.15213
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.90999   -3.68933   -0.27710
H       7.04597   -7.62302    5.56709
H       7.90999    3.68933    0.27710
H      -7.04597    7.62302   -5.56709
H      -7.47686   -1.41045    2.47666
H       6.61284   -5.34414    2.81333
H       7.47686    1.41045   -2.47666
H      -6.61284    5.34414   -2.81333
H      -6.96791   -2.80125    3.45769
H       6.10389   -6.73495    1.83230
H       6.96791    2.80125   -3.45769
H      -6.10389    6.73495   -1.83230
H      -6.10478   -1.25573    3.59444
H       5.24076   -5.18943    1.69555
H       6.10478    1.25573   -3.59444
H      -5.24076    5.18943   -1.69555
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.02132    2.33478   -1.92483
H      -0.84270   -1.59890    7.21482
H       0.02132   -2.33478    1.92483
H       0.84270    1.59890   -7.21482
H      -1.19262    1.14067   -2.49672
H       0.32861   -2.79301    7.78671
H       1.19262   -1.14067    2.49672
H      -0.32861    2.79301   -7.78671
H      -1.39110    2.85225   -2.92776
H       0.52709   -1.08144    8.21776
H       1.39110   -2.85225    2.92776
H      -0.52709    1.08144   -8.21776
H      -2.20745    3.94246    0.64127
H       1.34343    0.00877    4.64873
H       2.20745   -3.94246   -0.64127
H      -1.34343   -0.00877   -4.64873
H      -0.57813    3.90781   -0.05882
H      -0.28589   -0.02588    5.34881
H       0.57813   -3.90781    0.05882
H       0.28589    0.02588   -5.34881
H      -1.92965    4.56819   -0.99537
H       1.06563    0.63450    6.28536
H       1.92965   -4.56819    0.99537
H      -1.06563   -0.63450   -6.28536
H      -1.76274    2.48520    0.21552
H       0.89872   -1.44849    5.07448
H       1.76274   -2.48520   -0.21552
H      -0.89872    1.44849   -5.07448
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.67609   -4.38425    0.48129
O       4.81207   -8.31794    4.80870
O       5.67609    4.38425   -0.48129
O      -4.81207    8.31794   -4.80870
O      -7.49616   -3.10402    0.33168
O       6.63215   -7.03771    4.95832
O       7.49616    3.10402   -0.33168
O      -6.63215    7.03771   -4.95832
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.26958   -3.36804    0.83487
C       5.40557   -7.30173    4.45513
C       6.26958    3.36804   -0.83487
C      -5.40557    7.30173   -4.45513
C      -6.61613   -1.92834    2.90256
C       5.75211   -5.86204    2.38744
C       6.61613    1.92834   -2.90256
C      -5.75211    5.86204   -2.38744
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.08053    2.16119   -2.15246
C       0.21651   -1.77249    7.44245
C       1.08053   -2.16119    2.15246
C      -0.21651    1.77249   -7.44245
C      -1.63331    3.79741   -0.28650
C       0.76929   -0.13627    5.57649
C       1.63331   -3.79741    0.28650
C      -0.76929    0.13627   -5.57649
C      -1.91946    2.38412   -0.86712
C       1.05544   -1.54957    6.15711
C       1.91946   -2.38412    0.86712
C      -1.05544    1.54957   -6.15711
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.90999   -3.68933   -0.27710
H       7.04597   -7.62302    5.56709
H       7.90999    3.68933    0.27710
H      -7.04597    7.62302   -5.56709
H      -7.47686   -1.41045    2.47666
H       6.61284   -5.34414    2.81333
H       7.47686    1.41045   -2.47666
H      -6.61284    5.34414   -2.81333
H      -6.96791   -2.80125    3.45769
H       6.10389   -6.73495    1.83230
H       6.96791    2.80125   -3.45769
H      -6.10389    6.73495   -1.83230
H      -6.10478   -1.25573    3.59444
H       5.24076   -5.18943    1.69555
H       6.10478    1.25573   -3.59444
H      -5.24076    5.18943   -1.69555
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.02385    2.32889   -1.93646
H      -0.84017   -1.60479    7.22645
H       0.02385   -2.32889    1.93646
H       0.84017    1.60479   -7.22645
H      -1.19966    1.13825   -2.50633
H       0.33564   -2.79543    7.79633
H       1.19966   -1.13825    2.50633
H      -0.33564    2.79543   -7.79633
H      -1.39599    2.85098   -2.93377
H       0.53197   -1.08270    8.22376
H       1.39599   -2.85098    2.93377
H      -0.53197    1.08270   -8.22376
H      -2.19768    3.93680    0.63993
H       1.33367    0.00310    4.65007
H       2.19768   -3.93680   -0.63993
H      -1.33367   -0.00310   -4.65007
H      -0.57087    3.89990   -0.06585
H      -0.29315   -0.03379    5.35585
H       0.57087   -3.89990    0.06585
H       0.29315    0.03379   -5.35585
H      -1.92421    4.56474   -0.99659
H       1.06019    0.63105    6.28658
H       1.92421   -4.56474    0.99659
H      -1.06019   -0.63105   -6.28658
H      -1.75755    2.47933    0.21015
H       0.89353   -1.45436    5.07984
H       1.75755   -2.47933   -0.21015
H      -0.89353    1.45436   -5.07984
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.67609   -4.38425    0.48129
O       4.81207   -8.31794    4.80870
O       5.67609    4.38425   -0.48129
O      -4.81207    8.31794   -4.80870
O      -7.49616   -3.10402    0.33168
O       6.63215   -7.03771    4.95832
O       7.49616    3.10402   -0.33168
O      -6.63215    7.03771   -4.95832
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -6.26958   -3.36804    0.83487
C       5.40557   -7.30173    4.45513
C       6.26958    3.36804   -0.83487
C      -5.40557    7.30173   -4.45513
C      -6.61613   -1.92834    2.90256
C       5.75211   -5.86204    2.38744
C       6.61613    1.92834   -2.90256
C      -5.75211    5.86204   -2.38744
C      -5.63620   -2.37843    1.78691
C       4.77218   -6.31213    3.50308
C       5.63620    2.37843   -1.78691
C      -4.77218    6.31213   -3.50308
C      -1.08039    2.15909   -2.15199
C       0.21637   -1.77460    7.44198
C       1.08039   -2.15909    2.15199
C      -0.21637    1.77460   -7.44198
C      -1.63306    3.79820   -0.28853
C       0.76904   -0.13549    5.57853
C       1.63306   -3.79820    0.28853
C      -0.76904    0.13549   -5.57853
C      -1.91946    2.38412   -0.86712
C       1.05544   -1.54957    6.15711
C       1.91946   -2.38412    0.86712
C      -1.05544    1.54957   -6.15711
C      -3.44448    2.21507   -1.12914
C       2.58047   -1.71862    6.41914
C       3.44448   -2.21507    1.12914
C      -2.58047    1.71862   -6.41914
C      -5.58358    0.11503    1.25050
C       4.71956   -3.81866    4.03950
C       5.58358   -0.11503   -1.25050
C      -4.71956    3.81866   -4.03950
C      -5.06079    1.20791    0.54752
C       4.19678   -2.72578    4.74247
C       5.06079   -1.20791   -0.54752
C      -4.19678    2.72578   -4.74247
C      -5.08857   -1.18367    1.02564
C       4.22455   -5.11736    4.26435
C       5.08857    1.18367   -1.02564
C      -4.22455    5.11736   -4.26435
C      -4.05577   -1.35996    0.08987
C       3.19175   -5.29365    5.20012
C       4.05577    1.35996   -0.08987
C      -3.19175    5.29365   -5.20012
C      -4.03343    1.02581   -0.39936
C       3.16942   -2.90788    5.68936
C       4.03343   -1.02581    0.39936
C      -3.16942    2.90788   -5.68936
C      -3.53177   -0.26887   -0.61519
C       2.66775   -4.20256    5.90518
C       3.53177    0.26887    0.61519
C      -2.66775    4.20256   -5.90518
H      -7.90999   -3.68933   -0.27710
H       7.04597   -7.62302    5.56709
H       7.90999    3.68933    0.27710
H      -7.04597    7.62302   -5.56709
H      -7.47686   -1.41045    2.47666
H       6.61284   -5.34414    2.81333
H       7.47686    1.41045   -2.47666
H      -6.61284    5.34414   -2.81333
H      -6.96791   -2.80125    3.45769
H       6.10389   -6.73495    1.83230
H       6.96791    2.80125   -3.45769
H      -6.10389    6.73495   -1.83230
H      -6.10478   -1.25573    3.59444
H       5.24076   -5.18943    1.69555
H       6.10478    1.25573   -3.59444
H      -5.24076    5.18943   -1.69555
H      -5.16829   -3.28812    1.40225
H       4.30427   -7.22181    3.88775
H       5.16829    3.28812   -1.40225
H      -4.30427    7.22181   -3.88775
H      -0.02370    2.32684   -1.93607
H      -0.84032   -1.60684    7.22606
H       0.02370   -2.32684    1.93607
H       0.84032    1.60684   -7.22606
H      -1.19971    1.13566   -2.50438
H       0.33570   -2.79802    7.79437
H       1.19971   -1.13566    2.50438
H      -0.33570    2.79802   -7.79437
H      -1.39554    2.84781   -2.93436
H       0.53152   -1.08588    8.22436
H       1.39554   -2.84781    2.93436
H      -0.53152    1.08588   -8.22436
H      -2.19755    3.93908    0.63760
H       1.33353    0.00539    4.65240
H       2.19755   -3.93908   -0.63760
H      -1.33353   -0.00539   -4.65240
H      -0.57063    3.90073   -0.06786
H      -0.29339   -0.03296    5.35786
H       0.57063   -3.90073    0.06786
H       0.29339    0.03296   -5.35786
H      -1.92364    4.56455   -0.99980
H       1.05963    0.63086    6.28979
H       1.92364   -4.56455    0.99980
H      -1.05963   -0.63086   -6.28979
H      -1.75755    2.47933    0.21015
H       0.89353   -1.45436    5.07984
H       1.75755   -2.47933   -0.21015
H      -0.89353    1.45436   -5.07984
H      -2.91877    1.87155   -2.02153
H       2.05475   -2.06214    7.31152
H       2.91877   -1.87155    2.02153
H      -2.05475    2.06214   -7.31152
H      -4.27038    2.85846   -1.45559
H       3.40636   -1.07523    6.74558
H       4.27038   -2.85846    1.45559
H      -3.40636    1.07523   -6.74558
H      -6.34745    0.27820    1.95365
H       5.48343   -3.65550    3.33635
H       6.34745   -0.27820   -1.95365
H      -5.48343    3.65550   -3.33635
H      -5.43936    2.17056    0.73171
H       4.57535   -1.76313    4.55828
H       5.43936   -2.17056   -0.73171
H      -4.57535    1.76313   -4.55828
H      -3.66230   -2.31994   -0.08798
H       2.79829   -6.25363    5.37798
H       3.66230    2.31994    0.08798
H      -2.79829    6.25363   -5.37798
H      -2.75664   -0.42401   -1.30574
H       1.89262   -4.35769    6.59574
H       2.75664    0.42401    1.30574
H      -1.89262    4.35769   -6.59574
O      -5.67609   -4.38425    0.48129
O       4.81207   -8.31794    4.80870
O       5.67609    4.38425   -0.48129
O      -4.81207    8.31794   -4.80870
O      -7.49616   -3.10402    0.33168
O       6.63215   -7.03771    4.95832
O       7.49616    3.10402   -0.33168
O      -6.63215    7.03771   -4.95832
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49114   -7.32913    5.93833
C      -1.35515   -3.39544   -0.64834
C      -0.49114    7.32913   -5.93833
C       1.35515    3.39544    0.64834
C       0.14459   -5.88943    8.00603
C      -1.00861   -1.95574   -2.71603
C      -0.14459    5.88943   -8.00603
C       1.00861    1.95574    2.71603
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.68033   -1.80199    2.95148
C      -6.54435    2.13170    2.33852
C      -5.68033    1.80199   -2.95148
C       6.54435   -2.13170   -2.33852
C       5.12766   -0.16289    4.81493
C      -5.99168    3.77080    0.47506
C      -5.12766    0.16289   -4.81493
C       5.99168   -3.77080   -0.47506
C       4.84126   -1.57696    4.23635
C      -5.70528    2.35673    1.05364
C      -4.84126    1.57696   -4.23635
C       5.70528   -2.35673   -1.05364
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H      -1.14927   -7.65041    4.82637
H       0.28525   -3.71672    0.46363
H       1.14927    7.65041   -4.82637
H      -0.28525    3.71672   -0.46363
H      -0.71614   -5.37153    7.58013
H      -0.14788   -1.43785   -2.29014
H       0.71614    5.37153   -7.58013
H       0.14788    1.43785    2.29014
H      -0.20719   -6.76234    8.56116
H      -0.65683   -2.82865   -3.27116
H       0.20719    6.76234   -8.56116
H       0.65683    2.82865    3.27116
H       0.65594   -5.21681    8.69791
H      -1.51996   -1.28313   -3.40792
H      -0.65594    5.21681   -8.69791
H       1.51996    1.28313    3.40792
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.73702   -1.63424    3.16740
H      -7.60104    2.29945    2.12259
H      -6.73702    1.63424   -3.16740
H       7.60104   -2.29945   -2.12259
H       5.56101   -2.82542    2.59909
H      -6.42502    1.10827    2.69091
H      -5.56101    2.82542   -2.59909
H       6.42502   -1.10827   -2.69091
H       5.36518   -1.11328    2.16910
H      -6.22920    2.82042    3.12089
H      -5.36518    1.11328   -2.16910
H       6.22920   -2.82042   -3.12089
H       4.56317   -0.02200    5.74106
H      -5.42719    3.91169   -0.45107
H      -4.56317    0.02200   -5.74106
H       5.42719   -3.91169    0.45107
H       6.19009   -0.06035    5.03561
H      -7.05411    3.87334    0.25439
H      -6.19009    0.06035   -5.03561
H       7.05411   -3.87334   -0.25439
H       4.83708    0.60347    4.10367
H      -5.70109    4.53716    1.18632
H      -4.83708   -0.60347   -4.10367
H       5.70109   -4.53716   -1.18632
H       5.00317   -1.48176    5.31362
H      -5.86719    2.45193   -0.02362
H      -5.00317    1.48176   -5.31362
H       5.86719   -2.45193    0.02362
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O       1.08463   -8.34533    5.58476
O      -1.94865   -4.41164   -0.29477
O      -1.08463    8.34533   -5.58476
O       1.94865    4.41164    0.29477
O      -0.73544   -7.06510    5.43514
O      -0.12857   -3.13141   -0.14515
O       0.73544    7.06510   -5.43514
O       0.12857    3.13141    0.14515
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.37323   -7.26280    5.95762
C      -1.23725   -3.32911   -0.66763
C      -0.37323    7.26280   -5.95762
C       1.23725    3.32911    0.66763
C       0.25446   -5.88500    8.09203
C      -1.11848   -1.95132   -2.80204
C      -0.25446    5.88500   -8.09203
C       1.11848    1.95132    2.80204
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.68033   -1.80199    2.95148
C      -6.54435    2.13170    2.33852
C      -5.68033    1.80199   -2.95148
C       6.54435   -2.13170   -2.33852
C       5.12766   -0.16289    4.81493
C      -5.99168    3.77080    0.47506
C      -5.12766    0.16289   -4.81493
C       5.99168   -3.77080   -0.47506
C       4.84126   -1.57696    4.23635
C      -5.70528    2.35673    1.05364
C      -4.84126    1.57696   -4.23635
C       5.70528   -2.35673   -1.05364
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H      -1.35980   -7.46581    4.96465
H       0.49578   -3.53212    0.32534
H       1.35980    7.46581   -4.96465
H      -0.49578    3.53212   -0.32534
H      -0.60901   -5.31202    7.75062
H      -0.25501   -1.37834   -2.46062
H       0.60901    5.31202   -7.75062
H       0.25501    1.37834    2.46062
H      -0.09759   -6.76014    8.64347
H      -0.76642   -2.82646   -3.35347
H       0.09759    6.76014   -8.64347
H       0.76642    2.82646    3.35347
H       0.84895   -5.26290    8.76446
H      -1.71297   -1.32922   -3.47447
H      -0.84895    5.26290   -8.76446
H       1.71297    1.32922    3.47447
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.73702   -1.63424    3.16740
H      -7.60104    2.29945    2.12259
H      -6.73702    1.63424   -3.16740
H       7.60104   -2.29945   -2.12259
H       5.56101   -2.82542    2.59909
H      -6.42502    1.10827    2.69091
H      -5.56101    2.82542   -2.59909
H       6.42502   -1.10827   -2.69091
H       5.36518   -1.11328    2.16910
H      -6.22920    2.82042    3.12089
H      -5.36518    1.11328   -2.16910
H       6.22920   -2.82042   -3.12089
H       4.56317   -0.02200    5.74106
H      -5.42719    3.91169   -0.45107
H      -4.56317    0.02200   -5.74106
H       5.42719   -3.91169    0.45107
H       6.19009   -0.06035    5.03561
H      -7.05411    3.87334    0.25439
H      -6.19009    0.06035   -5.03561
H       7.05411   -3.87334   -0.25439
H       4.83708    0.60347    4.10367
H      -5.70109    4.53716    1.18632
H      -4.83708   -0.60347   -4.10367
H       5.70109   -4.53716   -1.18632
H       5.00317   -1.48176    5.31362
H      -5.86719    2.45193   -0.02362
H      -5.00317    1.48176   -5.31362
H       5.86719   -2.45193    0.02362
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O       0.88742   -8.29216    5.52637
O      -1.75144   -4.35847   -0.23638
O      -0.88742    8.29216   -5.52637
O       1.75144    4.35847    0.23638
O      -0.87299   -6.92324    5.55886
O       0.00898   -2.98955   -0.26886
O       0.87299    6.92324   -5.55886
O      -0.00898    2.98955    0.26886
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.37323   -7.26280    5.95762
C      -1.23725   -3.32911   -0.66763
C      -0.37323    7.26280   -5.95762
C       1.23725    3.32911    0.66763
C       0.25446   -5.88500    8.09203
C      -1.11848   -1.95132   -2.80204
C      -0.25446    5.88500   -8.09203
C       1.11848    1.95132    2.80204
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.68033   -1.80199    2.95148
C      -6.54435    2.13170    2.33852
C      -5.68033    1.80199   -2.95148
C       6.54435   -2.13170   -2.33852
C       5.12766   -0.16289    4.81493
C      -5.99168    3.77080    0.47506
C      -5.12766    0.16289   -4.81493
C       5.99168   -3.77080   -0.47506
C       4.84126   -1.57696    4.23635
C      -5.70528    2.35673    1.05364
C      -4.84126    1.57696   -4.23635
C       5.70528   -2.35673   -1.05364
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H       0.56058   -8.95208    4.88905
H      -1.42459   -5.01839    0.40095
H      -0.56058    8.95208   -4.88905
H       1.42459    5.01839   -0.40095
H      -0.60901   -5.31202    7.75062
H      -0.25501   -1.37834   -2.46062
H       0.60901    5.31202   -7.75062
H       0.25501    1.37834    2.46062
H      -0.09759   -6.76014    8.64347
H      -0.76642   -2.82646   -3.35347
H       0.09759    6.76014   -8.64347
H       0.76642    2.82646    3.35347
H       0.84895   -5.26290    8.76446
H      -1.71297   -1.32922   -3.47447
H      -0.84895    5.26290   -8.76446
H       1.71297    1.32922    3.47447
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.73702   -1.63424    3.16740
H      -7.60104    2.29945    2.12259
H      -6.73702    1.63424   -3.16740
H       7.60104   -2.29945   -2.12259
H       5.56101   -2.82542    2.59909
H      -6.42502    1.10827    2.69091
H      -5.56101    2.82542   -2.59909
H       6.42502   -1.10827   -2.69091
H       5.36518   -1.11328    2.16910
H      -6.22920    2.82042    3.12089
H      -5.36518    1.11328   -2.16910
H       6.22920   -2.82042   -3.12089
H       4.56317   -0.02200    5.74106
H      -5.42719    3.91169   -0.45107
H      -4.56317    0.02200   -5.74106
H       5.42719   -3.91169    0.45107
H       6.19009   -0.06035    5.03561
H      -7.05411    3.87334    0.25439
H      -6.19009    0.06035   -5.03561
H       7.05411   -3.87334   -0.25439
H       4.83708    0.60347    4.10367
H      -5.70109    4.53716    1.18632
H      -4.83708   -0.60347   -4.10367
H       5.70109   -4.53716   -1.18632
H       5.00317   -1.48176    5.31362
H      -5.86719    2.45193   -0.02362
H      -5.00317    1.48176   -5.31362
H       5.86719   -2.45193    0.02362
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O      -0.80745   -7.06713    5.67888
O      -0.05657   -3.13344   -0.38889
O       0.80745    7.06713   -5.67888
O       0.05657    3.13344    0.38889
O       1.00477   -8.34795    5.45664
O      -1.86879   -4.41426   -0.16664
O      -1.00477    8.34795   -5.45664
O       1.86879    4.41426    0.16664
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.37323   -7.26280    5.95762
C      -1.23725   -3.32911   -0.66763
C      -0.37323    7.26280   -5.95762
C       1.23725    3.32911    0.66763
C       0.25446   -5.88500    8.09203
C      -1.11848   -1.95132   -2.80204
C      -0.25446    5.88500   -8.09203
C       1.11848    1.95132    2.80204
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.71185   -1.77164    3.02639
C      -6.57587    2.16205    2.26361
C      -5.71185    1.77164   -3.02639
C       6.57587   -2.16205   -2.26361
C       5.07015   -0.11552    4.84574
C      -5.93416    3.81817    0.44426
C      -5.07015    0.11552   -4.84574
C       5.93416   -3.81817   -0.44426
C       4.82880   -1.54348    4.28088
C      -5.69282    2.39021    1.00911
C      -4.82880    1.54348   -4.28088
C       5.69282   -2.39021   -1.00911
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H       0.56058   -8.95208    4.88905
H      -1.42459   -5.01839    0.40095
H      -0.56058    8.95208   -4.88905
H       1.42459    5.01839   -0.40095
H      -0.60901   -5.31202    7.75062
H      -0.25501   -1.37834   -2.46062
H       0.60901    5.31202   -7.75062
H       0.25501    1.37834    2.46062
H      -0.09759   -6.76014    8.64347
H      -0.76642   -2.82646   -3.35347
H       0.09759    6.76014   -8.64347
H       0.76642    2.82646    3.35347
H       0.84895   -5.26290    8.76446
H      -1.71297   -1.32922   -3.47447
H      -0.84895    5.26290   -8.76446
H       1.71297    1.32922    3.47447
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.75789   -1.58019    3.27234
H      -7.62191    2.35351    2.01765
H      -6.75789    1.58019   -3.27234
H       7.62191   -2.35351   -2.01765
H       5.62300   -2.80242    2.68662
H      -6.48701    1.13128    2.60337
H      -5.62300    2.80242   -2.68662
H       6.48701   -1.13128   -2.60337
H       5.40842   -1.10110    2.22385
H      -6.27243    2.83260    3.06614
H      -5.40842    1.10110   -2.22385
H       6.27243   -2.83260   -3.06614
H       4.47434    0.02842    5.75156
H      -5.33836    3.96211   -0.46156
H      -4.47434   -0.02842   -5.75156
H       5.33836   -3.96211    0.46156
H       6.12301    0.01093    5.09765
H      -6.98703    3.94462    0.19235
H      -6.12301   -0.01093   -5.09765
H       6.98703   -3.94462   -0.19235
H       4.78757    0.63420    4.11381
H      -5.65158    4.56789    1.17618
H      -4.78757   -0.63420   -4.11381
H       5.65158   -4.56789   -1.17618
H       4.95504   -1.42884    5.36102
H      -5.81906    2.50485   -0.07103
H      -4.95504    1.42884   -5.36102
H       5.81906   -2.50485    0.07103
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O      -0.80745   -7.06713    5.67888
O      -0.05657   -3.13344   -0.38889
O       0.80745    7.06713   -5.67888
O       0.05657    3.13344    0.38889
O       1.00477   -8.34795    5.45664
O      -1.86879   -4.41426   -0.16664
O      -1.00477    8.34795   -5.45664
O       1.86879    4.41426    0.16664
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.37323   -7.26280    5.95762
C      -1.23725   -3.32911   -0.66763
C      -0.37323    7.26280   -5.95762
C       1.23725    3.32911    0.66763
C       0.25446   -5.88500    8.09203
C      -1.11848   -1.95132   -2.80204
C      -0.25446    5.88500   -8.09203
C       1.11848    1.95132    2.80204
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.71185   -1.77164    3.02639
C      -6.57587    2.16205    2.26361
C      -5.71185    1.77164   -3.02639
C       6.57587   -2.16205   -2.26361
C       5.07015   -0.11552    4.84574
C      -5.93416    3.81817    0.44426
C      -5.07015    0.11552   -4.84574
C       5.93416   -3.81817   -0.44426
C       4.82880   -1.54348    4.28088
C      -5.69282    2.39021    1.00911
C      -4.82880    1.54348   -4.28088
C       5.69282   -2.39021   -1.00911
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H       0.54113   -8.98171    4.93402
H      -1.40515   -5.04802    0.35597
H      -0.54113    8.98171   -4.93402
H       1.40515    5.04802   -0.35597
H      -0.60901   -5.31202    7.75062
H      -0.25501   -1.37834   -2.46062
H       0.60901    5.31202   -7.75062
H       0.25501    1.37834    2.46062
H      -0.09759   -6.76014    8.64347
H      -0.76642   -2.82646   -3.35347
H       0.09759    6.76014   -8.64347
H       0.76642    2.82646    3.35347
H       0.84895   -5.26290    8.76446
H      -1.71297   -1.32922   -3.47447
H      -0.84895    5.26290   -8.76446
H       1.71297    1.32922    3.47447
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.75789   -1.58019    3.27234
H      -7.62191    2.35351    2.01765
H      -6.75789    1.58019   -3.27234
H       7.62191   -2.35351   -2.01765
H       5.62300   -2.80242    2.68662
H      -6.48701    1.13128    2.60337
H      -5.62300    2.80242   -2.68662
H       6.48701   -1.13128   -2.60337
H       5.40842   -1.10110    2.22385
H      -6.27243    2.83260    3.06614
H      -5.40842    1.10110   -2.22385
H       6.27243   -2.83260   -3.06614
H       4.47434    0.02842    5.75156
H      -5.33836    3.96211   -0.46156
H      -4.47434   -0.02842   -5.75156
H       5.33836   -3.96211    0.46156
H       6.12301    0.01093    5.09765
H      -6.98703    3.94462    0.19235
H      -6.12301   -0.01093   -5.09765
H       6.98703   -3.94462   -0.19235
H       4.78757    0.63420    4.11381
H      -5.65158    4.56789    1.17618
H      -4.78757   -0.63420   -4.11381
H       5.65158   -4.56789   -1.17618
H       4.95504   -1.42884    5.36102
H      -5.81906    2.50485   -0.07103
H      -4.95504    1.42884   -5.36102
H       5.81906   -2.50485    0.07103
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O      -0.79283   -7.04002    5.64025
O      -0.07119   -3.10633   -0.35026
O       0.79283    7.04002   -5.64025
O       0.07119    3.10633    0.35026
O       0.98658   -8.37724    5.50026
O      -1.85060   -4.44355   -0.21027
O      -0.98658    8.37724   -5.50026
O       1.85060    4.44355    0.21027
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.37323   -7.26280    5.95762
C      -1.23725   -3.32911   -0.66763
C      -0.37323    7.26280   -5.95762
C       1.23725    3.32911    0.66763
C       0.25446   -5.88500    8.09203
C      -1.11848   -1.95132   -2.80204
C      -0.25446    5.88500   -8.09203
C       1.11848    1.95132    2.80204
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.71185   -1.77164    3.02639
C      -6.57587    2.16205    2.26361
C      -5.71185    1.77164   -3.02639
C       6.57587   -2.16205   -2.26361
C       5.07015   -0.11552    4.84574
C      -5.93416    3.81817    0.44426
C      -5.07015    0.11552   -4.84574
C       5.93416   -3.81817   -0.44426
C       4.82880   -1.54348    4.28088
C      -5.69282    2.39021    1.00911
C      -4.82880    1.54348   -4.28088
C       5.69282   -2.39021   -1.00911
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H       0.47344   -9.05763    5.06366
H      -1.33746   -5.12393    0.22633
H      -0.47344    9.05763   -5.06366
H       1.33746    5.12393   -0.22633
H      -0.60901   -5.31202    7.75062
H      -0.25501   -1.37834   -2.46062
H       0.60901    5.31202   -7.75062
H       0.25501    1.37834    2.46062
H      -0.09759   -6.76014    8.64347
H      -0.76642   -2.82646   -3.35347
H       0.09759    6.76014   -8.64347
H       0.76642    2.82646    3.35347
H       0.84895   -5.26290    8.76446
H      -1.71297   -1.32922   -3.47447
H      -0.84895    5.26290   -8.76446
H       1.71297    1.32922    3.47447
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.75789   -1.58019    3.27234
H      -7.62191    2.35351    2.01765
H      -6.75789    1.58019   -3.27234
H       7.62191   -2.35351   -2.01765
H       5.62300   -2.80242    2.68662
H      -6.48701    1.13128    2.60337
H      -5.62300    2.80242   -2.68662
H       6.48701   -1.13128   -2.60337
H       5.40842   -1.10110    2.22385
H      -6.27243    2.83260    3.06614
H      -5.40842    1.10110   -2.22385
H       6.27243   -2.83260   -3.06614
H       4.47434    0.02842    5.75156
H      -5.33836    3.96211   -0.46156
H      -4.47434   -0.02842   -5.75156
H       5.33836   -3.96211    0.46156
H       6.12301    0.01093    5.09765
H      -6.98703    3.94462    0.19235
H      -6.12301   -0.01093   -5.09765
H       6.98703   -3.94462   -0.19235
H       4.78757    0.63420    4.11381
H      -5.65158    4.56789    1.17618
H      -4.78757   -0.63420   -4.11381
H       5.65158   -4.56789   -1.17618
H       4.95504   -1.42884    5.36102
H      -5.81906    2.50485   -0.07103
H      -4.95504    1.42884   -5.36102
H       5.81906   -2.50485    0.07103
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O      -0.74030   -6.96974    5.52835
O      -0.12372   -3.03605   -0.23836
O       0.74030    6.96974   -5.52835
O       0.12372    3.03605    0.23836
O       0.92276   -8.45254    5.62620
O      -1.78677   -4.51885   -0.33620
O      -0.92276    8.45254   -5.62620
O       1.78677    4.51885    0.33620
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.37323   -7.26280    5.95762
C      -1.23725   -3.32911   -0.66763
C      -0.37323    7.26280   -5.95762
C       1.23725    3.32911    0.66763
C       0.25446   -5.88500    8.09203
C      -1.11848   -1.95132   -2.80204
C      -0.25446    5.88500   -8.09203
C       1.11848    1.95132    2.80204
C       1.12452   -6.33952    6.89038
C      -1.98854   -2.40583   -1.60038
C      -1.12452    6.33952   -6.89038
C       1.98854    2.40583    1.60038
C       5.71185   -1.77164    3.02639
C      -6.57587    2.16205    2.26361
C      -5.71185    1.77164   -3.02639
C       6.57587   -2.16205   -2.26361
C       5.07015   -0.11552    4.84574
C      -5.93416    3.81817    0.44426
C      -5.07015    0.11552   -4.84574
C       5.93416   -3.81817   -0.44426
C       4.82880   -1.54348    4.28088
C      -5.69282    2.39021    1.00911
C      -4.82880    1.54348   -4.28088
C       5.69282   -2.39021   -1.00911
C       3.31624   -1.74601    3.97432
C      -4.18025    2.18768    1.31567
C      -3.31624    1.74601   -3.97432
C       4.18025   -2.18768   -1.31567
C       1.17714   -3.84605    6.35396
C      -2.04116    0.08764   -1.06397
C      -1.17714    3.84605   -6.35396
C       2.04116   -0.08764    1.06397
C       1.69993   -2.75318    5.65099
C      -2.56394    1.18051   -0.36100
C      -1.69993    2.75318   -5.65099
C       2.56394   -1.18051    0.36100
C       1.67215   -5.14476    6.12911
C      -2.53617   -1.21107   -0.83911
C      -1.67215    5.14476   -6.12911
C       2.53617    1.21107    0.83911
C       2.70495   -5.32104    5.19334
C      -3.56897   -1.38735    0.09666
C      -2.70495    5.32104   -5.19334
C       3.56897    1.38735   -0.09666
C       2.72729   -2.93527    4.70410
C      -3.59130    0.99842    0.58589
C      -2.72729    2.93527   -4.70410
C       3.59130   -0.99842   -0.58589
C       3.22895   -4.22995    4.48828
C      -4.09297   -0.29626    0.80172
C      -3.22895    4.22995   -4.48828
C       4.09297    0.29626   -0.80172
H       0.50875   -9.02218    5.00012
H      -1.37277   -5.08849    0.28987
H      -0.50875    9.02218   -5.00012
H       1.37277    5.08849   -0.28987
H      -0.60901   -5.31202    7.75062
H      -0.25501   -1.37834   -2.46062
H       0.60901    5.31202   -7.75062
H       0.25501    1.37834    2.46062
H      -0.09759   -6.76014    8.64347
H      -0.76642   -2.82646   -3.35347
H       0.09759    6.76014   -8.64347
H       0.76642    2.82646    3.35347
H       0.84895   -5.26290    8.76446
H      -1.71297   -1.32922   -3.47447
H      -0.84895    5.26290   -8.76446
H       1.71297    1.32922    3.47447
H       1.59243   -7.24920    6.50571
H      -2.45645   -3.31551   -1.21572
H      -1.59243    7.24920   -6.50571
H       2.45645    3.31551    1.21572
H       6.75789   -1.58019    3.27234
H      -7.62191    2.35351    2.01765
H      -6.75789    1.58019   -3.27234
H       7.62191   -2.35351   -2.01765
H       5.62300   -2.80242    2.68662
H      -6.48701    1.13128    2.60337
H      -5.62300    2.80242   -2.68662
H       6.48701   -1.13128   -2.60337
H       5.40842   -1.10110    2.22385
H      -6.27243    2.83260    3.06614
H      -5.40842    1.10110   -2.22385
H       6.27243   -2.83260   -3.06614
H       4.47434    0.02842    5.75156
H      -5.33836    3.96211   -0.46156
H      -4.47434   -0.02842   -5.75156
H       5.33836   -3.96211    0.46156
H       6.12301    0.01093    5.09765
H      -6.98703    3.94462    0.19235
H      -6.12301   -0.01093   -5.09765
H       6.98703   -3.94462   -0.19235
H       4.78757    0.63420    4.11381
H      -5.65158    4.56789    1.17618
H      -4.78757   -0.63420   -4.11381
H       5.65158   -4.56789   -1.17618
H       4.95504   -1.42884    5.36102
H      -5.81906    2.50485   -0.07103
H      -4.95504    1.42884   -5.36102
H       5.81906   -2.50485    0.07103
H       3.84195   -2.08954    3.08194
H      -4.70597    1.84416    2.20806
H      -3.84195    2.08954   -3.08194
H       4.70597   -1.84416   -2.20806
H       2.49034   -1.10263    3.64788
H      -3.35436    2.83107    1.64211
H      -2.49034    1.10263   -3.64788
H       3.35436   -2.83107   -1.64211
H       0.41327   -3.68289    7.05712
H      -1.27729    0.25080   -1.76712
H      -0.41327    3.68289   -7.05712
H       1.27729   -0.25080    1.76712
H       1.32136   -1.79053    5.83518
H      -2.18537    2.14316   -0.54519
H      -1.32136    1.79053   -5.83518
H       2.18537   -2.14316    0.54519
H       3.09842   -6.28102    5.01548
H      -3.96243   -2.34733    0.27451
H      -3.09842    6.28102   -5.01548
H       3.96243    2.34733   -0.27451
H       4.00408   -4.38509    3.79772
H      -4.86810   -0.45140    1.49227
H      -4.00408    4.38509   -3.79772
H       4.86810    0.45140   -1.49227
O      -0.76800   -7.00273    5.58331
O      -0.09602   -3.06904   -0.29331
O       0.76800    7.00273   -5.58331
O       0.09602    3.06904    0.29331
O       0.95612   -8.41732    5.56444
O      -1.82014   -4.48363   -0.27444
O      -0.95612    8.41732   -5.56444
O       1.82014    4.48363    0.27444
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.10127   -7.26282   -4.62237
C      -1.23725   -3.32911   -0.66763
C      -2.10127    7.26282    4.62237
C       1.23725    3.32911    0.66763
C       1.98249   -5.88501   -2.48795
C      -1.11848   -1.95132   -2.80204
C      -1.98249    5.88501    2.48795
C       1.11848    1.95132    2.80204
C       2.85255   -6.33953   -3.68961
C      -1.98854   -2.40583   -1.60038
C      -2.85255    6.33953    3.68961
C       1.98854    2.40583    1.60038
C       7.42213   -1.59105   -7.58541
C      -6.55811    2.34266    2.29541
C      -7.42213    1.59105    7.58541
C       6.55811   -2.34266   -2.29541
C       6.77385   -0.19079   -5.56462
C      -5.90983    3.74291    0.27462
C      -6.77385    0.19079    5.56462
C       5.90983   -3.74291   -0.27462
C       6.55684   -1.54349   -6.29911
C      -5.69282    2.39021    1.00911
C      -6.55684    1.54349    6.29911
C       5.69282   -2.39021   -1.00911
C       5.04427   -1.74603   -6.60567
C      -4.18025    2.18768    1.31567
C      -5.04427    1.74603    6.60567
C       4.18025   -2.18768   -1.31567
C       2.90517   -3.84606   -4.22602
C      -2.04116    0.08764   -1.06397
C      -2.90517    3.84606    4.22602
C       2.04116   -0.08764    1.06397
C       3.42796   -2.75319   -4.92900
C      -2.56394    1.18051   -0.36100
C      -3.42796    2.75319    4.92900
C       2.56394   -1.18051    0.36100
C       3.40019   -5.14477   -4.45088
C      -2.53617   -1.21107   -0.83911
C      -3.40019    5.14477    4.45088
C       2.53617    1.21107    0.83911
C       4.43299   -5.32105   -5.38665
C      -3.56897   -1.38735    0.09666
C      -4.43299    5.32105    5.38665
C       3.56897    1.38735   -0.09666
C       4.45532   -2.93528   -5.87588
C      -3.59130    0.99842    0.58589
C      -4.45532    2.93528    5.87589
C       3.59130   -0.99842   -0.58589
C       4.95699   -4.22996   -6.09171
C      -4.09297   -0.29626    0.80172
C      -4.95699    4.22996    6.09171
C       4.09297    0.29626   -0.80172
H       2.23679   -9.02219   -5.57987
H      -1.37277   -5.08849    0.28987
H      -2.23679    9.02219    5.57987
H       1.37277    5.08849   -0.28987
H       1.11903   -5.31203   -2.82937
H      -0.25501   -1.37834   -2.46062
H      -1.11903    5.31203    2.82937
H       0.25501    1.37834    2.46062
H       1.63044   -6.76015   -1.93652
H      -0.76642   -2.82646   -3.35347
H      -1.63044    6.76015    1.93652
H       0.76642    2.82646    3.35347
H       2.57699   -5.26291   -1.81553
H      -1.71297   -1.32922   -3.47447
H      -2.57699    5.26291    1.81553
H       1.71297    1.32922    3.47447
H       3.32046   -7.24921   -4.07427
H      -2.45645   -3.31551   -1.21572
H      -3.32046    7.24921    4.07427
H       2.45645    3.31551    1.21572
H       8.46755   -1.40422   -7.33332
H      -7.60353    2.52948    2.04333
H      -8.46755    1.40422    7.33332
H       7.60353   -2.52948   -2.04333
H       7.35202   -2.57369   -8.04944
H      -6.48800    1.36002    2.75945
H      -7.35202    2.57369    8.04944
H       6.48800   -1.36002   -2.75945
H       7.08803   -0.83433   -8.29358
H      -6.22401    3.09938    3.00358
H      -7.08803    0.83433    8.29358
H       6.22401   -3.09938   -3.00358
H       6.19133   -0.17600   -4.63905
H      -5.32732    3.75770   -0.65094
H      -6.19133    0.17600    4.63905
H       5.32732   -3.75770    0.65094
H       7.82777   -0.06900   -5.31482
H      -6.96375    3.86470    0.02482
H      -7.82777    0.06900    5.31482
H       6.96375   -3.86470   -0.02482
H       6.45998    0.63626   -6.19320
H      -5.59596    4.56996    0.90320
H      -6.45998   -0.63626    6.19320
H       5.59596   -4.56996   -0.90320
H       6.68308   -1.42886   -5.21897
H      -5.81906    2.50485   -0.07103
H      -6.68308    1.42886    5.21897
H       5.81906   -2.50485    0.07103
H       5.56999   -2.08955   -7.49805
H      -4.70597    1.84416    2.20806
H      -5.56999    2.08955    7.49805
H       4.70597   -1.84416   -2.20806
H       4.21838   -1.10264   -6.93211
H      -3.35436    2.83107    1.64211
H      -4.21838    1.10264    6.93211
H       3.35436   -2.83107   -1.64211
H       2.14131   -3.68290   -3.52287
H      -1.27729    0.25080   -1.76712
H      -2.14131    3.68290    3.52287
H       1.27729   -0.25080    1.76712
H       3.04939   -1.79054   -4.74481
H      -2.18537    2.14316   -0.54519
H      -3.04939    1.79054    4.74481
H       2.18537   -2.14316    0.54519
H       4.82645   -6.28103   -5.56451
H      -3.96243   -2.34733    0.27451
H      -4.82645    6.28103    5.56451
H       3.96243    2.34733   -0.27451
H       5.73212   -4.38510   -6.78226
H      -4.86810   -0.45140    1.49227
H      -5.73212    4.38510    6.78226
H       4.86810    0.45140   -1.49227
O       0.96004   -7.00274   -4.99668
O      -0.09602   -3.06904   -0.29331
O      -0.96004    7.00274    4.99668
O       0.09602    3.06904    0.29331
O       2.68416   -8.41733   -5.01555
O      -1.82014   -4.48363   -0.27444
O      -2.68416    8.41733    5.01555
O       1.82014    4.48363    0.27444
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.10127   -7.26282   -4.62237
C      -1.23725   -3.32911   -0.66763
C      -2.10127    7.26282    4.62237
C       1.23725    3.32911    0.66763
C       1.98249   -5.88501   -2.48795
C      -1.11848   -1.95132   -2.80204
C      -1.98249    5.88501    2.48795
C       1.11848    1.95132    2.80204
C       2.85255   -6.33953   -3.68961
C      -1.98854   -2.40583   -1.60038
C      -2.85255    6.33953    3.68961
C       1.98854    2.40583    1.60038
C       7.42213   -1.59105   -7.58541
C      -6.55811    2.34266    2.29541
C      -7.42213    1.59105    7.58541
C       6.55811   -2.34266   -2.29541
C       6.77385   -0.19079   -5.56462
C      -5.90983    3.74291    0.27462
C      -6.77385    0.19079    5.56462
C       5.90983   -3.74291   -0.27462
C       6.55684   -1.54349   -6.29911
C      -5.69282    2.39021    1.00911
C      -6.55684    1.54349    6.29911
C       5.69282   -2.39021   -1.00911
C       5.04427   -1.74603   -6.60567
C      -4.18025    2.18768    1.31567
C      -5.04427    1.74603    6.60567
C       4.18025   -2.18768   -1.31567
C       2.90517   -3.84606   -4.22602
C      -2.04116    0.08764   -1.06397
C      -2.90517    3.84606    4.22602
C       2.04116   -0.08764    1.06397
C       3.42796   -2.75319   -4.92900
C      -2.56394    1.18051   -0.36100
C      -3.42796    2.75319    4.92900
C       2.56394   -1.18051    0.36100
C       3.40019   -5.14477   -4.45088
C      -2.53617   -1.21107   -0.83911
C      -3.40019    5.14477    4.45088
C       2.53617    1.21107    0.83911
C       4.43299   -5.32105   -5.38665
C      -3.56897   -1.38735    0.09666
C      -4.43299    5.32105    5.38665
C       3.56897    1.38735   -0.09666
C       4.45532   -2.93528   -5.87588
C      -3.59130    0.99842    0.58589
C      -4.45532    2.93528    5.87589
C       3.59130   -0.99842   -0.58589
C       4.95699   -4.22996   -6.09171
C      -4.09297   -0.29626    0.80172
C      -4.95699    4.22996    6.09171
C       4.09297    0.29626   -0.80172
H       2.21772   -9.04223   -5.54469
H      -1.35370   -5.10853    0.25469
H      -2.21772    9.04223    5.54469
H       1.35370    5.10853   -0.25469
H       1.11903   -5.31203   -2.82937
H      -0.25501   -1.37834   -2.46062
H      -1.11903    5.31203    2.82937
H       0.25501    1.37834    2.46062
H       1.63044   -6.76015   -1.93652
H      -0.76642   -2.82646   -3.35347
H      -1.63044    6.76015    1.93652
H       0.76642    2.82646    3.35347
H       2.57699   -5.26291   -1.81553
H      -1.71297   -1.32922   -3.47447
H      -2.57699    5.26291    1.81553
H       1.71297    1.32922    3.47447
H       3.32046   -7.24921   -4.07427
H      -2.45645   -3.31551   -1.21572
H      -3.32046    7.24921    4.07427
H       2.45645    3.31551    1.21572
H       8.46755   -1.40422   -7.33332
H      -7.60353    2.52948    2.04333
H      -8.46755    1.40422    7.33332
H       7.60353   -2.52948   -2.04333
H       7.35202   -2.57369   -8.04944
H      -6.48800    1.36002    2.75945
H      -7.35202    2.57369    8.04944
H       6.48800   -1.36002   -2.75945
H       7.08803   -0.83433   -8.29358
H      -6.22401    3.09938    3.00358
H      -7.08803    0.83433    8.29358
H       6.22401   -3.09938   -3.00358
H       6.19133   -0.17600   -4.63905
H      -5.32732    3.75770   -0.65094
H      -6.19133    0.17600    4.63905
H       5.32732   -3.75770    0.65094
H       7.82777   -0.06900   -5.31482
H      -6.96375    3.86470    0.02482
H      -7.82777    0.06900    5.31482
H       6.96375   -3.86470   -0.02482
H       6.45998    0.63626   -6.19320
H      -5.59596    4.56996    0.90320
H      -6.45998   -0.63626    6.19320
H       5.59596   -4.56996   -0.90320
H       6.68308   -1.42886   -5.21897
H      -5.81906    2.50485   -0.07103
H      -6.68308    1.42886    5.21897
H       5.81906   -2.50485    0.07103
H       5.56999   -2.08955   -7.49805
H      -4.70597    1.84416    2.20806
H      -5.56999    2.08955    7.49805
H       4.70597   -1.84416   -2.20806
H       4.21838   -1.10264   -6.93211
H      -3.35436    2.83107    1.64211
H      -4.21838    1.10264    6.93211
H       3.35436   -2.83107   -1.64211
H       2.14131   -3.68290   -3.52287
H      -1.27729    0.25080   -1.76712
H      -2.14131    3.68290    3.52287
H       1.27729   -0.25080    1.76712
H       3.04939   -1.79054   -4.74481
H      -2.18537    2.14316   -0.54519
H      -3.04939    1.79054    4.74481
H       2.18537   -2.14316    0.54519
H       4.82645   -6.28103   -5.56451
H      -3.96243   -2.34733    0.27451
H      -4.82645    6.28103    5.56451
H       3.96243    2.34733   -0.27451
H       5.73212   -4.38510   -6.78226
H      -4.86810   -0.45140    1.49227
H      -5.73212    4.38510    6.78226
H       4.86810    0.45140   -1.49227
O       0.97488   -6.98412   -5.02708
O      -0.11086   -3.05042   -0.26291
O      -0.97488    6.98412    5.02708
O       0.11086    3.05042    0.26291
O       2.66615   -8.43723   -4.98137
O      -1.80213   -4.50353   -0.30862
O      -2.66615    8.43723    4.98137
O       1.80213    4.50353    0.30862
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.10127   -7.26282   -4.62237
C      -1.23725   -3.32911   -0.66763
C      -2.10127    7.26282    4.62237
C       1.23725    3.32911    0.66763
C       1.98249   -5.88501   -2.48795
C      -1.11848   -1.95132   -2.80204
C      -1.98249    5.88501    2.48795
C       1.11848    1.95132    2.80204
C       2.85255   -6.33953   -3.68961
C      -1.98854   -2.40583   -1.60038
C      -2.85255    6.33953    3.68961
C       1.98854    2.40583    1.60038
C       7.43229   -1.57950   -7.55837
C      -6.56828    2.35420    2.26837
C      -7.43229    1.57950    7.55837
C       6.56828   -2.35420   -2.26837
C       6.75027   -0.17233   -5.55355
C      -5.88626    3.76137    0.26355
C      -6.75027    0.17233    5.55355
C       5.88626   -3.76137   -0.26355
C       6.55162   -1.53079   -6.28259
C      -5.68760    2.40292    0.99260
C      -6.55162    1.53079    6.28259
C       5.68760   -2.40292   -0.99260
C       5.04427   -1.74603   -6.60567
C      -4.18025    2.18768    1.31567
C      -5.04427    1.74603    6.60567
C       4.18025   -2.18768   -1.31567
C       2.90517   -3.84606   -4.22602
C      -2.04116    0.08764   -1.06397
C      -2.90517    3.84606    4.22602
C       2.04116   -0.08764    1.06397
C       3.42796   -2.75319   -4.92900
C      -2.56394    1.18051   -0.36100
C      -3.42796    2.75319    4.92900
C       2.56394   -1.18051    0.36100
C       3.40019   -5.14477   -4.45088
C      -2.53617   -1.21107   -0.83911
C      -3.40019    5.14477    4.45088
C       2.53617    1.21107    0.83911
C       4.43299   -5.32105   -5.38665
C      -3.56897   -1.38735    0.09666
C      -4.43299    5.32105    5.38665
C       3.56897    1.38735   -0.09666
C       4.45532   -2.93528   -5.87588
C      -3.59130    0.99842    0.58589
C      -4.45532    2.93528    5.87589
C       3.59130   -0.99842   -0.58589
C       4.95699   -4.22996   -6.09171
C      -4.09297   -0.29626    0.80172
C      -4.95699    4.22996    6.09171
C       4.09297    0.29626   -0.80172
H       2.21772   -9.04223   -5.54469
H      -1.35370   -5.10853    0.25469
H      -2.21772    9.04223    5.54469
H       1.35370    5.10853   -0.25469
H       1.11903   -5.31203   -2.82937
H      -0.25501   -1.37834   -2.46062
H      -1.11903    5.31203    2.82937
H       0.25501    1.37834    2.46062
H       1.63044   -6.76015   -1.93652
H      -0.76642   -2.82646   -3.35347
H      -1.63044    6.76015    1.93652
H       0.76642    2.82646    3.35347
H       2.57699   -5.26291   -1.81553
H      -1.71297   -1.32922   -3.47447
H      -2.57699    5.26291    1.81553
H       1.71297    1.32922    3.47447
H       3.32046   -7.24921   -4.07427
H      -2.45645   -3.31551   -1.21572
H      -3.32046    7.24921    4.07427
H       2.45645    3.31551    1.21572
H       8.47331   -1.38366   -7.29515
H      -7.60929    2.55005    2.00515
H      -8.47331    1.38366    7.29515
H       7.60929   -2.55005   -2.00515
H       7.37469   -2.56528   -8.01743
H      -6.51067    1.36843    2.72744
H      -7.37469    2.56528    8.01743
H       6.51067   -1.36843   -2.72744
H       7.10113   -0.82932   -8.27482
H      -6.23711    3.10439    2.98483
H      -7.10113    0.82932    8.27482
H       6.23711   -3.10439   -2.98483
H       6.15682   -0.15642   -4.63497
H      -5.29280    3.77729   -0.65502
H      -6.15682    0.15642    4.63497
H       5.29280   -3.77729    0.65502
H       7.80028   -0.04147   -5.29213
H      -6.93626    3.89223    0.00214
H      -7.80028    0.04147    5.29213
H       6.93626   -3.89223   -0.00214
H       6.43789    0.64878   -6.19059
H      -5.57387    4.58248    0.90060
H      -6.43789   -0.64878    6.19059
H       5.57387   -4.58248   -0.90060
H       6.66432   -1.40901   -5.20174
H      -5.80030    2.52469   -0.08825
H      -6.66432    1.40901    5.20174
H       5.80030   -2.52469    0.08825
H       5.56999   -2.08955   -7.49805
H      -4.70597    1.84416    2.20806
H      -5.56999    2.08955    7.49805
H       4.70597   -1.84416   -2.20806
H       4.21838   -1.10264   -6.93211
H      -3.35436    2.83107    1.64211
H      -4.21838    1.10264    6.93211
H       3.35436   -2.83107   -1.64211
H       2.14131   -3.68290   -3.52287
H      -1.27729    0.25080   -1.76712
H      -2.14131    3.68290    3.52287
H       1.27729   -0.25080    1.76712
H       3.04939   -1.79054   -4.74481
H      -2.18537    2.14316   -0.54519
H      -3.04939    1.79054    4.74481
H       2.18537   -2.14316    0.54519
H       4.82645   -6.28103   -5.56451
H      -3.96243   -2.34733    0.27451
H      -4.82645    6.28103    5.56451
H       3.96243    2.34733   -0.27451
H       5.73212   -4.38510   -6.78226
H      -4.86810   -0.45140    1.49227
H      -5.73212    4.38510    6.78226
H       4.86810    0.45140   -1.49227
O       0.97488   -6.98412   -5.02708
O      -0.11086   -3.05042   -0.26291
O      -0.97488    6.98412    5.02708
O       0.11086    3.05042    0.26291
O       2.66615   -8.43723   -4.98137
O      -1.80213   -4.50353   -0.30862
O      -2.66615    8.43723    4.98137
O       1.80213    4.50353    0.30862
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.10127   -7.26282   -4.62237
C      -1.23725   -3.32911   -0.66763
C      -2.10127    7.26282    4.62237
C       1.23725    3.32911    0.66763
C       1.98249   -5.88501   -2.48795
C      -1.11848   -1.95132   -2.80204
C      -1.98249    5.88501    2.48795
C       1.11848    1.95132    2.80204
C       2.85255   -6.33953   -3.68961
C      -1.98854   -2.40583   -1.60038
C      -2.85255    6.33953    3.68961
C       1.98854    2.40583    1.60038
C       7.43517   -1.60462   -7.55515
C      -6.57115    2.32909    2.26516
C      -7.43517    1.60462    7.55515
C       6.57115   -2.32909   -2.26516
C       6.75351   -0.16075   -5.57647
C      -5.88949    3.77295    0.28648
C      -6.75351    0.16075    5.57647
C       5.88949   -3.77295   -0.28648
C       6.55162   -1.53079   -6.28259
C      -5.68760    2.40292    0.99260
C      -6.55162    1.53079    6.28259
C       5.68760   -2.40292   -0.99260
C       5.04427   -1.74603   -6.60567
C      -4.18025    2.18768    1.31567
C      -5.04427    1.74603    6.60567
C       4.18025   -2.18768   -1.31567
C       2.90517   -3.84606   -4.22602
C      -2.04116    0.08764   -1.06397
C      -2.90517    3.84606    4.22602
C       2.04116   -0.08764    1.06397
C       3.42796   -2.75319   -4.92900
C      -2.56394    1.18051   -0.36100
C      -3.42796    2.75319    4.92900
C       2.56394   -1.18051    0.36100
C       3.40019   -5.14477   -4.45088
C      -2.53617   -1.21107   -0.83911
C      -3.40019    5.14477    4.45088
C       2.53617    1.21107    0.83911
C       4.43299   -5.32105   -5.38665
C      -3.56897   -1.38735    0.09666
C      -4.43299    5.32105    5.38665
C       3.56897    1.38735   -0.09666
C       4.45532   -2.93528   -5.87588
C      -3.59130    0.99842    0.58589
C      -4.45532    2.93528    5.87589
C       3.59130   -0.99842   -0.58589
C       4.95699   -4.22996   -6.09171
C      -4.09297   -0.29626    0.80172
C      -4.95699    4.22996    6.09171
C       4.09297    0.29626   -0.80172
H       2.21772   -9.04223   -5.54469
H      -1.35370   -5.10853    0.25469
H      -2.21772    9.04223    5.54469
H       1.35370    5.10853   -0.25469
H       1.11903   -5.31203   -2.82937
H      -0.25501   -1.37834   -2.46062
H      -1.11903    5.31203    2.82937
H       0.25501    1.37834    2.46062
H       1.63044   -6.76015   -1.93652
H      -0.76642   -2.82646   -3.35347
H      -1.63044    6.76015    1.93652
H       0.76642    2.82646    3.35347
H       2.57699   -5.26291   -1.81553
H      -1.71297   -1.32922   -3.47447
H      -2.57699    5.26291    1.81553
H       1.71297    1.32922    3.47447
H       3.32046   -7.24921   -4.07427
H      -2.45645   -3.31551   -1.21572
H      -3.32046    7.24921    4.07427
H       2.45645    3.31551    1.21572
H       8.47626   -1.40809   -7.29275
H      -7.61225    2.52561    2.00276
H      -8.47626    1.40809    7.29275
H       7.61225   -2.52561   -2.00276
H       7.37503   -2.59791   -7.99738
H      -6.51102    1.33579    2.70738
H      -7.37503    2.59791    7.99738
H       6.51102   -1.33579   -2.70738
H       7.10852   -0.86564   -8.28520
H      -6.24451    3.06807    2.99520
H      -7.10852    0.86564    8.28520
H       6.24451   -3.06807   -2.99520
H       6.15789   -0.12690   -4.65978
H      -5.29388    3.80681   -0.63021
H      -6.15789    0.12690    4.65978
H       5.29388   -3.80681    0.63021
H       7.80336   -0.02927   -5.31474
H      -6.93934    3.90444    0.02474
H      -7.80336    0.02927    5.31474
H       6.93934   -3.90444   -0.02474
H       6.44571    0.65044   -6.22829
H      -5.58169    4.58415    0.93829
H      -6.44571   -0.65044    6.22829
H       5.58169   -4.58415   -0.93829
H       6.66432   -1.40901   -5.20174
H      -5.80030    2.52469   -0.08825
H      -6.66432    1.40901    5.20174
H       5.80030   -2.52469    0.08825
H       5.56999   -2.08955   -7.49805
H      -4.70597    1.84416    2.20806
H      -5.56999    2.08955    7.49805
H       4.70597   -1.84416   -2.20806
H       4.21838   -1.10264   -6.93211
H      -3.35436    2.83107    1.64211
H      -4.21838    1.10264    6.93211
H       3.35436   -2.83107   -1.64211
H       2.14131   -3.68290   -3.52287
H      -1.27729    0.25080   -1.76712
H      -2.14131    3.68290    3.52287
H       1.27729   -0.25080    1.76712
H       3.04939   -1.79054   -4.74481
H      -2.18537    2.14316   -0.54519
H      -3.04939    1.79054    4.74481
H       2.18537   -2.14316    0.54519
H       4.82645   -6.28103   -5.56451
H      -3.96243   -2.34733    0.27451
H      -4.82645    6.28103    5.56451
H       3.96243    2.34733   -0.27451
H       5.73212   -4.38510   -6.78226
H      -4.86810   -0.45140    1.49227
H      -5.73212    4.38510    6.78226
H       4.86810    0.45140   -1.49227
O       0.97488   -6.98412   -5.02708
O      -0.11086   -3.05042   -0.26291
O      -0.97488    6.98412    5.02708
O       0.11086    3.05042    0.26291
O       2.66615   -8.43723   -4.98137
O      -1.80213   -4.50353   -0.30862
O      -2.66615    8.43723    4.98137
O       1.80213    4.50353    0.30862
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.10127   -7.26282   -4.62237
C      -1.23725   -3.32911   -0.66763
C      -2.10127    7.26282    4.62237
C       1.23725    3.32911    0.66763
C       1.98249   -5.88501   -2.48795
C      -1.11848   -1.95132   -2.80204
C      -1.98249    5.88501    2.48795
C       1.11848    1.95132    2.80204
C       2.85255   -6.33953   -3.68961
C      -1.98854   -2.40583   -1.60038
C      -2.85255    6.33953    3.68961
C       1.98854    2.40583    1.60038
C       7.44025   -1.65098   -7.54805
C      -6.57623    2.28272    2.25806
C      -7.44025    1.65098    7.54805
C       6.57623   -2.28272   -2.25806
C       6.75978   -0.14039   -5.61940
C      -5.89576    3.79332    0.32941
C      -6.75978    0.14039    5.61940
C       5.89576   -3.79332   -0.32941
C       6.55162   -1.53079   -6.28259
C      -5.68760    2.40292    0.99260
C      -6.55162    1.53079    6.28259
C       5.68760   -2.40292   -0.99260
C       5.04427   -1.74603   -6.60567
C      -4.18025    2.18768    1.31567
C      -5.04427    1.74603    6.60567
C       4.18025   -2.18768   -1.31567
C       2.90517   -3.84606   -4.22602
C      -2.04116    0.08764   -1.06397
C      -2.90517    3.84606    4.22602
C       2.04116   -0.08764    1.06397
C       3.42796   -2.75319   -4.92900
C      -2.56394    1.18051   -0.36100
C      -3.42796    2.75319    4.92900
C       2.56394   -1.18051    0.36100
C       3.40019   -5.14477   -4.45088
C      -2.53617   -1.21107   -0.83911
C      -3.40019    5.14477    4.45088
C       2.53617    1.21107    0.83911
C       4.43299   -5.32105   -5.38665
C      -3.56897   -1.38735    0.09666
C      -4.43299    5.32105    5.38665
C       3.56897    1.38735   -0.09666
C       4.45532   -2.93528   -5.87588
C      -3.59130    0.99842    0.58589
C      -4.45532    2.93528    5.87589
C       3.59130   -0.99842   -0.58589
C       4.95699   -4.22996   -6.09171
C      -4.09297   -0.29626    0.80172
C      -4.95699    4.22996    6.09171
C       4.09297    0.29626   -0.80172
H       2.21772   -9.04223   -5.54469
H      -1.35370   -5.10853    0.25469
H      -2.21772    9.04223    5.54469
H       1.35370    5.10853   -0.25469
H       1.11903   -5.31203   -2.82937
H      -0.25501   -1.37834   -2.46062
H      -1.11903    5.31203    2.82937
H       0.25501    1.37834    2.46062
H       1.63044   -6.76015   -1.93652
H      -0.76642   -2.82646   -3.35347
H      -1.63044    6.76015    1.93652
H       0.76642    2.82646    3.35347
H       2.57699   -5.26291   -1.81553
H      -1.71297   -1.32922   -3.47447
H      -2.57699    5.26291    1.81553
H       1.71297    1.32922    3.47447
H       3.32046   -7.24921   -4.07427
H      -2.45645   -3.31551   -1.21572
H      -3.32046    7.24921    4.07427
H       2.45645    3.31551    1.21572
H       8.48150   -1.45324   -7.28718
H      -7.61748    2.48047    1.99719
H      -8.48150    1.45324    7.28718
H       7.61748   -2.48047   -1.99719
H       7.37524   -2.65740   -7.95878
H      -6.51122    1.27630    2.66879
H      -7.37524    2.65740    7.95878
H       6.51122   -1.27630   -2.66879
H       7.12193   -0.93339   -8.30270
H      -6.25792    3.00032    3.01271
H      -7.12193    0.93339    8.30270
H       6.25792   -3.00032   -3.01271
H       6.16036   -0.07340   -4.70703
H      -5.29634    3.86030   -0.58297
H      -6.16036    0.07340    4.70703
H       5.29634   -3.86030    0.58297
H       7.80934   -0.00773   -5.35710
H      -6.94532    3.92597    0.06711
H      -7.80934    0.00773    5.35710
H       6.94532   -3.92597   -0.06711
H       6.46046    0.65173   -6.29807
H      -5.59644    4.58544    1.00808
H      -6.46046   -0.65173    6.29807
H       5.59644   -4.58544   -1.00808
H       6.66432   -1.40901   -5.20174
H      -5.80030    2.52469   -0.08825
H      -6.66432    1.40901    5.20174
H       5.80030   -2.52469    0.08825
H       5.56999   -2.08955   -7.49805
H      -4.70597    1.84416    2.20806
H      -5.56999    2.08955    7.49805
H       4.70597   -1.84416   -2.20806
H       4.21838   -1.10264   -6.93211
H      -3.35436    2.83107    1.64211
H      -4.21838    1.10264    6.93211
H       3.35436   -2.83107   -1.64211
H       2.14131   -3.68290   -3.52287
H      -1.27729    0.25080   -1.76712
H      -2.14131    3.68290    3.52287
H       1.27729   -0.25080    1.76712
H       3.04939   -1.79054   -4.74481
H      -2.18537    2.14316   -0.54519
H      -3.04939    1.79054    4.74481
H       2.18537   -2.14316    0.54519
H       4.82645   -6.28103   -5.56451
H      -3.96243   -2.34733    0.27451
H      -4.82645    6.28103    5.56451
H       3.96243    2.34733   -0.27451
H       5.73212   -4.38510   -6.78226
H      -4.86810   -0.45140    1.49227
H      -5.73212    4.38510    6.78226
H       4.86810    0.45140   -1.49227
O       0.97488   -6.98412   -5.02708
O      -0.11086   -3.05042   -0.26291
O      -0.97488    6.98412    5.02708
O       0.11086    3.05042    0.26291
O       2.66615   -8.43723   -4.98137
O      -1.80213   -4.50353   -0.30862
O      -2.66615    8.43723    4.98137
O       1.80213    4.50353    0.30862
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.17704   -7.33001   -4.73145
C      -1.31302   -3.39631   -0.55854
C      -2.17704    7.33001    4.73145
C       1.31302    3.39631    0.55854
C       1.99400   -6.00077   -2.57095
C      -1.12998   -2.06708   -2.71905
C      -1.99400    6.00077    2.57095
C       1.12998    2.06708    2.71905
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.34955   -9.08631   -5.68865
H      -1.48553   -5.15261    0.39865
H      -2.34955    9.08631    5.68865
H       1.48553    5.15261   -0.39865
H       1.12219   -5.44125   -2.91347
H      -0.25817   -1.50755   -2.37652
H      -1.12219    5.44125    2.91347
H       0.25817    1.50755    2.37652
H       1.65490   -6.89543   -2.04322
H      -0.79088   -2.96173   -3.24678
H      -1.65490    6.89543    2.04322
H       0.79088    2.96173    3.24678
H       2.56350   -5.37916   -1.87679
H      -1.69948   -1.44547   -3.41320
H      -2.56350    5.37916    1.87679
H       1.69948    1.44547    3.41320
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.05038   -7.06949   -5.14736
O      -0.18636   -3.13579   -0.14263
O      -1.05038    7.06949    5.14736
O       0.18636    3.13579    0.14263
O       2.77506   -8.48293   -5.10614
O      -1.91104   -4.54923   -0.18386
O      -2.77506    8.48293    5.10614
O       1.91104    4.54923    0.18386
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.17704   -7.33001   -4.73145
C      -1.31302   -3.39631   -0.55854
C      -2.17704    7.33001    4.73145
C       1.31302    3.39631    0.55854
C       1.99400   -6.00077   -2.57095
C      -1.12998   -2.06708   -2.71905
C      -1.99400    6.00077    2.57095
C       1.12998    2.06708    2.71905
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.30677   -9.12627   -5.61869
H      -1.44275   -5.19256    0.32869
H      -2.30677    9.12627    5.61869
H       1.44275    5.19256   -0.32869
H       1.12219   -5.44125   -2.91347
H      -0.25817   -1.50755   -2.37652
H      -1.12219    5.44125    2.91347
H       0.25817    1.50755    2.37652
H       1.65490   -6.89543   -2.04322
H      -0.79088   -2.96173   -3.24678
H      -1.65490    6.89543    2.04322
H       0.79088    2.96173    3.24678
H       2.56350   -5.37916   -1.87679
H      -1.69948   -1.44547   -3.41320
H      -2.56350    5.37916    1.87679
H       1.69948    1.44547    3.41320
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.08409   -7.03228   -5.20799
O      -0.22007   -3.09858   -0.08200
O      -1.08409    7.03228    5.20799
O       0.22007    3.09858    0.08200
O       2.73455   -8.52264   -5.03810
O      -1.87053   -4.58894   -0.25189
O      -2.73455    8.52264    5.03810
O       1.87053    4.58894    0.25189
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.17704   -7.33001   -4.73145
C      -1.31302   -3.39631   -0.55854
C      -2.17704    7.33001    4.73145
C       1.31302    3.39631    0.55854
C       1.99400   -6.00077   -2.57095
C      -1.12998   -2.06708   -2.71905
C      -1.99400    6.00077    2.57095
C       1.12998    2.06708    2.71905
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.26189   -9.15969   -5.55342
H      -1.39788   -5.22598    0.26343
H      -2.26189    9.15969    5.55342
H       1.39788    5.22598   -0.26343
H       1.12219   -5.44125   -2.91347
H      -0.25817   -1.50755   -2.37652
H      -1.12219    5.44125    2.91347
H       0.25817    1.50755    2.37652
H       1.65490   -6.89543   -2.04322
H      -0.79088   -2.96173   -3.24678
H      -1.65490    6.89543    2.04322
H       0.79088    2.96173    3.24678
H       2.56350   -5.37916   -1.87679
H      -1.69948   -1.44547   -3.41320
H      -2.56350    5.37916    1.87679
H       1.69948    1.44547    3.41320
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.11993   -7.00075   -5.26477
O      -0.25591   -3.06705   -0.02522
O      -1.11993    7.00075    5.26477
O       0.25591    3.06705    0.02522
O       2.69189   -8.55598   -4.97456
O      -1.82787   -4.62228   -0.31543
O      -2.69189    8.55598    4.97456
O       1.82787    4.62228    0.31543
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.17704   -7.33001   -4.73145
C      -1.31302   -3.39631   -0.55854
C      -2.17704    7.33001    4.73145
C       1.31302    3.39631    0.55854
C       1.99400   -6.00077   -2.57095
C      -1.12998   -2.06708   -2.71905
C      -1.99400    6.00077    2.57095
C       1.12998    2.06708    2.71905
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.22579   -9.18176   -5.50551
H      -1.36177   -5.24806    0.21552
H      -2.22579    9.18176    5.50551
H       1.36177    5.24806   -0.21552
H       1.12219   -5.44125   -2.91347
H      -0.25817   -1.50755   -2.37652
H      -1.12219    5.44125    2.91347
H       0.25817    1.50755    2.37652
H       1.65490   -6.89543   -2.04322
H      -0.79088   -2.96173   -3.24678
H      -1.65490    6.89543    2.04322
H       0.79088    2.96173    3.24678
H       2.56350   -5.37916   -1.87679
H      -1.69948   -1.44547   -3.41320
H      -2.56350    5.37916    1.87679
H       1.69948    1.44547    3.41320
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.14903   -6.97962   -5.30660
O      -0.28501   -3.04592    0.01661
O      -1.14903    6.97962    5.30660
O       0.28501    3.04592   -0.01661
O       2.65748   -8.57811   -4.92787
O      -1.79347   -4.64440   -0.36213
O      -2.65748    8.57811    4.92787
O       1.79347    4.64440    0.36213
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.17704   -7.33001   -4.73145
C      -1.31302   -3.39631   -0.55854
C      -2.17704    7.33001    4.73145
C       1.31302    3.39631    0.55854
C       1.99400   -6.00077   -2.57095
C      -1.12998   -2.06708   -2.71905
C      -1.99400    6.00077    2.57095
C       1.12998    2.06708    2.71905
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.23959   -9.17375   -5.52345
H      -1.37558   -5.24004    0.23345
H      -2.23959    9.17375    5.52345
H       1.37558    5.24004   -0.23345
H       1.12219   -5.44125   -2.91347
H      -0.25817   -1.50755   -2.37652
H      -1.12219    5.44125    2.91347
H       0.25817    1.50755    2.37652
H       1.65490   -6.89543   -2.04322
H      -0.79088   -2.96173   -3.24678
H      -1.65490    6.89543    2.04322
H       0.79088    2.96173    3.24678
H       2.56350   -5.37916   -1.87679
H      -1.69948   -1.44547   -3.41320
H      -2.56350    5.37916    1.87679
H       1.69948    1.44547    3.41320
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.13781   -6.98733   -5.29093
O      -0.27380   -3.05363    0.00093
O      -1.13781    6.98733    5.29093
O       0.27380    3.05363   -0.00093
O       2.67064   -8.57006   -4.94535
O      -1.80663   -4.63636   -0.34464
O      -2.67064    8.57006    4.94535
O       1.80663    4.63636    0.34464
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.12235   -9.13276   -5.53994
H      -1.25833   -5.19906    0.24995
H      -2.12235    9.13276    5.53994
H       1.25833    5.19906   -0.24995
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.07489   -6.92828   -5.23749
O      -0.21088   -2.99457   -0.05250
O      -1.07489    6.92828    5.23749
O       0.21088    2.99457    0.05250
O       2.58545   -8.54686   -4.96838
O      -1.72144   -4.61315   -0.32161
O      -2.58545    8.54686    4.96838
O       1.72144    4.61315    0.32161
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.16045   -9.10672   -5.59510
H      -1.29643   -5.17301    0.30510
H      -2.16045    9.10672    5.59510
H       1.29643    5.17301   -0.30510
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.04425   -6.95311   -5.18952
O      -0.18023   -3.01941   -0.10047
O      -1.04425    6.95311    5.18952
O       0.18023    3.01941    0.10047
O       2.62171   -8.52078   -5.02207
O      -1.75769   -4.58708   -0.26792
O      -2.62171    8.52078    5.02207
O       1.75769    4.58708    0.26792
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.42276   -1.53324   -7.45853
C      -6.55874    2.40047    2.16853
C      -7.42276    1.53324    7.45853
C       6.55874   -2.40047   -2.16853
C       6.67809   -0.08018   -5.50950
C      -5.81407    3.85352    0.21950
C      -6.67809    0.08018    5.50950
C       5.81407   -3.85352   -0.21950
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.13312   -9.12587   -5.55512
H      -1.26910   -5.19217    0.26513
H      -2.13312    9.12587    5.55512
H       1.26910    5.19217   -0.26513
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.45503   -1.31653   -7.17782
H      -7.59101    2.61718    1.88783
H      -8.45503    1.31653    7.17782
H       7.59101   -2.61718   -1.88783
H       7.38787   -2.53201   -7.89101
H      -6.52385    1.40170    2.60101
H      -7.38787    2.53201    7.89101
H       6.52385   -1.40170   -2.60101
H       7.09851   -0.80758   -8.20287
H      -6.23449    3.12613    2.91287
H      -7.09851    0.80758    8.20287
H       6.23449   -3.12613   -2.91287
H       6.06389   -0.04664   -4.60514
H      -5.19987    3.88706   -0.68485
H      -6.06389    0.04664    4.60514
H       5.19987   -3.88706    0.68485
H       7.72021    0.07164   -5.22858
H      -6.85619    4.00534   -0.06142
H      -7.72021   -0.07164    5.22858
H       6.85619   -4.00534    0.06142
H       6.36993    0.71881   -6.17604
H      -5.50591    4.65252    0.88605
H      -6.36993   -0.71881    6.17604
H       5.50591   -4.65252   -0.88605
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.06613   -6.93488   -5.22428
O      -0.20211   -3.00118   -0.06572
O      -1.06613    6.93488    5.22428
O       0.20211    3.00118    0.06572
O       2.59571   -8.53995   -4.98316
O      -1.73169   -4.60624   -0.30683
O      -2.59571    8.53995    4.98316
O       1.73169    4.60624    0.30683
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.41434   -1.47005   -7.46663
C      -6.55032    2.46365    2.17663
C      -7.41434    1.47005    7.46663
C       6.55032   -2.46365   -2.17663
C       6.66939   -0.10967   -5.45192
C      -5.80538    3.82403    0.16193
C      -6.66939    0.10967    5.45192
C       5.80538   -3.82403   -0.16193
C       6.51300   -1.46079   -6.20450
C      -5.64898    2.47291    0.91451
C      -6.51300    1.46079    6.20450
C       5.64898   -2.47291   -0.91451
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.13312   -9.12587   -5.55512
H      -1.26910   -5.19217    0.26513
H      -2.13312    9.12587    5.55512
H       1.26910    5.19217   -0.26513
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.44642   -1.25508   -7.18387
H      -7.58240    2.67863    1.89388
H      -8.44642    1.25508    7.18387
H       7.58240   -2.67863   -1.89388
H       7.38623   -2.44965   -7.94140
H      -6.52221    1.48406    2.65140
H      -7.38623    2.44965    7.94140
H       6.52221   -1.48406   -2.65140
H       7.07756   -0.71647   -8.17686
H      -6.21354    3.21724    2.88687
H      -7.07756    0.71647    8.17686
H       6.21354   -3.21724   -2.88687
H       6.06143   -0.12124   -4.54281
H      -5.19741    3.81246   -0.74718
H      -6.06143    0.12124    4.54281
H       5.19741   -3.81246    0.74718
H       7.71196    0.04057   -5.17181
H      -6.84794    3.97428   -0.11819
H      -7.71196   -0.04057    5.17181
H       6.84794   -3.97428    0.11819
H       6.34854    0.71401   -6.08140
H      -5.48452    4.64771    0.79140
H      -6.34854   -0.71401    6.08140
H       5.48452   -4.64771   -0.79140
H       6.60686   -1.35924   -5.11976
H      -5.74284    2.57447   -0.17023
H      -6.60686    1.35924    5.11976
H       5.74284   -2.57447    0.17023
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.06613   -6.93488   -5.22428
O      -0.20211   -3.00118   -0.06572
O      -1.06613    6.93488    5.22428
O       0.20211    3.00118    0.06572
O       2.59571   -8.53995   -4.98316
O      -1.73169   -4.60624   -0.30683
O      -2.59571    8.53995    4.98316
O       1.73169    4.60624    0.30683
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.40964   -1.47564   -7.48025
C      -6.54562    2.45807    2.19026
C      -7.40964    1.47564    7.48025
C       6.54562   -2.45807   -2.19026
C       6.68134   -0.11839   -5.45736
C      -5.81732    3.81531    0.16737
C      -6.68134    0.11839    5.45736
C       5.81732   -3.81531   -0.16737
C       6.51586   -1.46686   -6.21275
C      -5.65184    2.46685    0.92276
C      -6.51586    1.46686    6.21275
C       5.65184   -2.46685   -0.92276
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.13312   -9.12587   -5.55512
H      -1.26910   -5.19217    0.26513
H      -2.13312    9.12587    5.55512
H       1.26910    5.19217   -0.26513
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.44410   -1.26497   -7.20306
H      -7.58009    2.66874    1.91306
H      -8.44410    1.26497    7.20306
H       7.58009   -2.66874   -1.91306
H       7.37536   -2.45381   -7.95757
H      -6.51134    1.47990    2.66758
H      -7.37536    2.45381    7.95757
H       6.51134   -1.47990   -2.66758
H       7.07121   -0.71893   -8.18637
H      -6.20719    3.21478    2.89637
H      -7.07121    0.71893    8.18637
H       6.20719   -3.21478   -2.89637
H       6.07876   -0.13044   -4.54468
H      -5.21474    3.80326   -0.74531
H      -6.07876    0.13044    4.54468
H       5.21474   -3.80326    0.74531
H       7.72606    0.02753   -5.18306
H      -6.86204    3.96123   -0.10694
H      -7.72606   -0.02753    5.18306
H       6.86204   -3.96123    0.10694
H       6.35955    0.70813   -6.08262
H      -5.49553    4.64184    0.79262
H      -6.35955   -0.70813    6.08262
H       5.49553   -4.64184   -0.79262
H       6.61651   -1.36866   -5.12832
H      -5.75250    2.56504   -0.16168
H      -6.61651    1.36866    5.12832
H       5.75250   -2.56504    0.16168
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.06613   -6.93488   -5.22428
O      -0.20211   -3.00118   -0.06572
O      -1.06613    6.93488    5.22428
O       0.20211    3.00118    0.06572
O       2.59571   -8.53995   -4.98316
O      -1.73169   -4.60624   -0.30683
O      -2.59571    8.53995    4.98316
O       1.73169    4.60624    0.30683
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.41246   -1.47228   -7.47203
C      -6.54844    2.46143    2.18204
C      -7.41246    1.47228    7.47203
C       6.54844   -2.46143   -2.18204
C       6.67410   -0.11312   -5.45407
C      -5.81008    3.82058    0.16407
C      -6.67410    0.11312    5.45407
C       5.81008   -3.82058   -0.16407
C       6.51411   -1.46320   -6.20777
C      -5.65009    2.47051    0.91777
C      -6.51411    1.46320    6.20777
C       5.65009   -2.47051   -0.91777
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.13312   -9.12587   -5.55512
H      -1.26910   -5.19217    0.26513
H      -2.13312    9.12587    5.55512
H       1.26910    5.19217   -0.26513
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.44548   -1.25901   -7.19148
H      -7.58147    2.67470    1.90148
H      -8.44548    1.25901    7.19148
H       7.58147   -2.67470   -1.90148
H       7.38190   -2.45131   -7.94782
H      -6.51788    1.48240    2.65782
H      -7.38190    2.45131    7.94782
H       6.51788   -1.48240   -2.65782
H       7.07502   -0.71745   -8.18064
H      -6.21100    3.21626    2.89064
H      -7.07502    0.71745    8.18064
H       6.21100   -3.21626   -2.89064
H       6.06827   -0.12488   -4.54354
H      -5.20425    3.80882   -0.74646
H      -6.06827    0.12488    4.54354
H       5.20425   -3.80882    0.74646
H       7.71752    0.03540   -5.17626
H      -6.85350    3.96910   -0.11374
H      -7.71752   -0.03540    5.17626
H       6.85350   -3.96910    0.11374
H       6.35287    0.71168   -6.08187
H      -5.48885    4.64539    0.79188
H      -6.35287   -0.71168    6.08187
H       5.48885   -4.64539   -0.79188
H       6.61066   -1.36297   -5.12314
H      -5.74664    2.57073   -0.16685
H      -6.61066    1.36297    5.12314
H       5.74664   -2.57073    0.16685
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.06613   -6.93488   -5.22428
O      -0.20211   -3.00118   -0.06572
O      -1.06613    6.93488    5.22428
O       0.20211    3.00118    0.06572
O       2.59571   -8.53995   -4.98316
O      -1.73169   -4.60624   -0.30683
O      -2.59571    8.53995    4.98316
O       1.73169    4.60624    0.30683
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.41246   -1.47228   -7.47203
C      -6.54844    2.46143    2.18204
C      -7.41246    1.47228    7.47203
C       6.54844   -2.46143   -2.18204
C       6.67410   -0.11312   -5.45407
C      -5.81008    3.82058    0.16407
C      -6.67410    0.11312    5.45407
C       5.81008   -3.82058   -0.16407
C       6.51411   -1.46320   -6.20777
C      -5.65009    2.47051    0.91777
C      -6.51411    1.46320    6.20777
C       5.65009   -2.47051   -0.91777
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.13623   -9.12381   -5.55958
H      -1.27221   -5.19011    0.26959
H      -2.13623    9.12381    5.55958
H       1.27221    5.19011   -0.26959
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.44548   -1.25901   -7.19148
H      -7.58147    2.67470    1.90148
H      -8.44548    1.25901    7.19148
H       7.58147   -2.67470   -1.90148
H       7.38190   -2.45131   -7.94782
H      -6.51788    1.48240    2.65782
H      -7.38190    2.45131    7.94782
H       6.51788   -1.48240   -2.65782
H       7.07502   -0.71745   -8.18064
H      -6.21100    3.21626    2.89064
H      -7.07502    0.71745    8.18064
H       6.21100   -3.21626   -2.89064
H       6.06827   -0.12488   -4.54354
H      -5.20425    3.80882   -0.74646
H      -6.06827    0.12488    4.54354
H       5.20425   -3.80882    0.74646
H       7.71752    0.03540   -5.17626
H      -6.85350    3.96910   -0.11374
H      -7.71752   -0.03540    5.17626
H       6.85350   -3.96910    0.11374
H       6.35287    0.71168   -6.08187
H      -5.48885    4.64539    0.79188
H      -6.35287   -0.71168    6.08187
H       5.48885   -4.64539   -0.79188
H       6.61066   -1.36297   -5.12314
H      -5.74664    2.57073   -0.16685
H      -6.61066    1.36297    5.12314
H       5.74664   -2.57073    0.16685
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.06358   -6.93685   -5.22039
O      -0.19956   -3.00315   -0.06960
O      -1.06358    6.93685    5.22039
O       0.19956    3.00315    0.06960
O       2.59866   -8.53788   -4.98750
O      -1.73465   -4.60417   -0.30249
O      -2.59866    8.53788    4.98750
O       1.73465    4.60417    0.30249
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       2.12537   -7.30047   -4.71943
C      -1.26136   -3.36677   -0.57057
C      -2.12537    7.30047    4.71943
C       1.26136    3.36677    0.57057
C       2.04431   -6.00102   -2.53471
C      -1.18029   -2.06732   -2.75529
C      -2.04431    6.00102    2.53471
C       1.18029    2.06732    2.75529
C       2.89225   -6.40916   -3.76842
C      -2.02823   -2.47546   -1.52157
C      -2.89225    6.40916    3.76842
C       2.02823    2.47546    1.52157
C       7.41246   -1.47228   -7.47203
C      -6.54844    2.46143    2.18204
C      -7.41246    1.47228    7.47203
C       6.54844   -2.46143   -2.18204
C       6.67410   -0.11312   -5.45407
C      -5.81008    3.82058    0.16407
C      -6.67410    0.11312    5.45407
C       5.81008   -3.82058   -0.16407
C       6.51411   -1.46320   -6.20777
C      -5.65009    2.47051    0.91777
C      -6.51411    1.46320    6.20777
C       5.65009   -2.47051   -0.91777
C       5.01614   -1.70467   -6.55484
C      -4.15213    2.22904    1.26484
C      -5.01614    1.70467    6.55484
C       4.15213   -2.22904   -1.26484
C       2.89311   -3.90437   -4.25209
C      -2.02910    0.02933   -1.03791
C      -2.89311    3.90437    4.25209
C       2.02910   -0.02933    1.03791
C       3.39990   -2.78487   -4.92419
C      -2.53589    1.14883   -0.36580
C      -3.39990    2.78487    4.92419
C       2.53589   -1.14883    0.36580
C       3.42229   -5.18600   -4.49631
C      -2.55827   -1.25230   -0.79368
C      -3.42229    5.18600    4.49631
C       2.55827    1.25230    0.79368
C       4.47265   -5.31806   -5.41974
C      -3.60864   -1.38436    0.12974
C      -4.47265    5.31806    5.41974
C       3.60864    1.38436   -0.12974
C       4.44513   -2.92263   -5.85894
C      -3.58111    1.01107    0.56894
C      -4.44513    2.92263    5.85894
C       3.58111   -1.01107   -0.56894
C       4.98072   -4.20027   -6.09395
C      -4.11671   -0.26657    0.80395
C      -4.98072    4.20027    6.09395
C       4.11671    0.26657   -0.80395
H       2.13652   -9.12360   -5.56003
H      -1.27250   -5.18990    0.27003
H      -2.13652    9.12360    5.56003
H       1.27250    5.18990   -0.27003
H       1.17307   -5.41876   -2.83861
H      -0.30905   -1.48506   -2.45138
H      -1.17307    5.41876    2.83861
H       0.30905    1.48506    2.45138
H       1.70501   -6.89659   -2.00865
H      -0.84099   -2.96290   -3.28134
H      -1.70501    6.89659    2.00865
H       0.84099    2.96290    3.28134
H       2.65011   -5.40177   -1.85170
H      -1.78610   -1.46808   -3.43829
H      -2.65011    5.40177    1.85170
H       1.78610    1.46808    3.43829
H       3.38737   -7.29922   -4.16473
H      -2.52336   -3.36552   -1.12526
H      -3.38737    7.29922    4.16473
H       2.52336    3.36552    1.12526
H       8.44548   -1.25901   -7.19148
H      -7.58147    2.67470    1.90148
H      -8.44548    1.25901    7.19148
H       7.58147   -2.67470   -1.90148
H       7.38190   -2.45131   -7.94782
H      -6.51788    1.48240    2.65782
H      -7.38190    2.45131    7.94782
H       6.51788   -1.48240   -2.65782
H       7.07502   -0.71745   -8.18064
H      -6.21100    3.21626    2.89064
H      -7.07502    0.71745    8.18064
H       6.21100   -3.21626   -2.89064
H       6.06827   -0.12488   -4.54354
H      -5.20425    3.80882   -0.74646
H      -6.06827    0.12488    4.54354
H       5.20425   -3.80882    0.74646
H       7.71752    0.03540   -5.17626
H      -6.85350    3.96910   -0.11374
H      -7.71752   -0.03540    5.17626
H       6.85350   -3.96910    0.11374
H       6.35287    0.71168   -6.08187
H      -5.48885    4.64539    0.79188
H      -6.35287   -0.71168    6.08187
H       5.48885   -4.64539   -0.79188
H       6.61066   -1.36297   -5.12314
H      -5.74664    2.57073   -0.16685
H      -6.61066    1.36297    5.12314
H       5.74664   -2.57073    0.16685
H       5.56298   -2.01677   -7.44607
H      -4.69897    1.91694    2.15608
H      -5.56298    2.01677    7.44607
H       4.69897   -1.91694   -2.15608
H       4.17999   -1.07419   -6.88036
H      -3.31597    2.85951    1.59037
H      -4.17999    1.07419    6.88036
H       3.31597   -2.85951   -1.59037
H       2.11531   -3.77416   -3.55739
H      -1.25130    0.15954   -1.73261
H      -2.11531    3.77416    3.55739
H       1.25130   -0.15954    1.73261
H       2.99576   -1.83552   -4.72583
H      -2.13174    2.09818   -0.56416
H      -2.99576    1.83552    4.72583
H       2.13174   -2.09818    0.56416
H       4.89153   -6.26452   -5.61149
H      -4.02751   -2.33082    0.32149
H      -4.89153    6.26452    5.61149
H       4.02751    2.33082   -0.32149
H       5.76941   -4.32246   -6.77572
H      -4.90539   -0.38876    1.48572
H      -5.76941    4.32246    6.77572
H       4.90539    0.38876   -1.48572
O       1.06331   -6.93705   -5.22000
O      -0.19929   -3.00335   -0.06999
O      -1.06331    6.93705    5.22000
O       0.19929    3.00335    0.06999
O       2.59894   -8.53767   -4.98794
O      -1.73492   -4.60396   -0.30205
O      -2.59894    8.53767    4.98794
O       1.73492    4.60396    0.30205
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.93547   -3.44444    0.75306
C      -1.79949   -7.37813    4.53693
C      -0.93547    3.44444   -0.75306
C       1.79949    7.37813   -4.53693
C       0.85441   -2.14498    2.93779
C      -1.71843   -6.07868    2.35221
C      -0.85441    2.14498   -2.93779
C       1.71843    6.07868   -2.35221
C       1.70235   -2.55312    1.70407
C      -2.56637   -6.48682    3.58592
C      -1.70235    2.55312   -1.70407
C       2.56637    6.48682   -3.58592
C       6.22256    2.38376   -1.99954
C      -7.08657   -1.54992    7.28953
C      -6.22256   -2.38376    1.99954
C       7.08657    1.54992   -7.28953
C       5.48420    3.74291    0.01843
C      -6.34822   -0.19078    5.27157
C      -5.48420   -3.74291   -0.01843
C       6.34822    0.19078   -5.27157
C       5.32421    2.39284   -0.73527
C      -6.18822   -1.54085    6.02527
C      -5.32421   -2.39284    0.73527
C       6.18822    1.54085   -6.02527
C       3.82625    2.15137   -1.08234
C      -4.69026   -1.78232    6.37234
C      -3.82625   -2.15137    1.08234
C       4.69026    1.78232   -6.37234
C       1.70322   -0.04834    1.22041
C      -2.56723   -3.98203    4.06959
C      -1.70322    0.04834   -1.22041
C       2.56723    3.98203   -4.06959
C       2.21000    1.07117    0.54830
C      -3.07402   -2.86252    4.74169
C      -2.21000   -1.07117   -0.54830
C       3.07402    2.86252   -4.74169
C       2.23239   -1.32996    0.97618
C      -3.09641   -5.26365    4.31381
C      -2.23239    1.32996   -0.97618
C       3.09641    5.26365   -4.31381
C       3.28276   -1.46203    0.05275
C      -4.14677   -5.39572    5.23724
C      -3.28276    1.46203   -0.05275
C       4.14677    5.39572   -5.23724
C       3.25523    0.93340   -0.38644
C      -4.11925   -3.00029    5.67644
C      -3.25523   -0.93340    0.38644
C       4.11925    3.00029   -5.67644
C       3.79083   -0.34424   -0.62146
C      -4.65484   -4.27792    5.91145
C      -3.79083    0.34424    0.62146
C       4.65484    4.27792   -5.91145
H       0.94662   -5.26757   -0.08754
H      -1.81063   -9.20126    5.37753
H      -0.94662    5.26757    0.08754
H       1.81063    9.20126   -5.37753
H      -0.01683   -1.56272    2.63388
H      -0.84719   -5.49642    2.65611
H       0.01683    1.56272   -2.63388
H       0.84719    5.49642   -2.65611
H       0.51511   -3.04055    3.46384
H      -1.37913   -6.97425    1.82616
H      -0.51511    3.04055   -3.46384
H       1.37913    6.97425   -1.82616
H       1.46021   -1.54574    3.62079
H      -2.32423   -5.47944    1.66921
H      -1.46021    1.54574   -3.62079
H       2.32423    5.47944   -1.66921
H       2.19748   -3.44318    1.30776
H      -3.06149   -7.37688    3.98224
H      -2.19748    3.44318   -1.30776
H       3.06149    7.37688   -3.98224
H       7.25559    2.59703   -1.71899
H      -8.11960   -1.33666    7.00898
H      -7.25559   -2.59703    1.71898
H       8.11960    1.33666   -7.00898
H       6.19200    1.40473   -2.47533
H      -7.05602   -2.52895    7.76532
H      -6.19200   -1.40473    2.47533
H       7.05602    2.52895   -7.76532
H       5.88512    3.13859   -2.70814
H      -6.74914   -0.79510    7.99814
H      -5.88512   -3.13859    2.70814
H       6.74914    0.79510   -7.99814
H       4.87837    3.73115    0.92896
H      -5.74238   -0.20254    4.36104
H      -4.87837   -3.73115   -0.92896
H       5.74238    0.20254   -4.36104
H       6.52762    3.89144    0.29624
H      -7.39164   -0.04225    4.99376
H      -6.52762   -3.89144   -0.29624
H       7.39164    0.04225   -4.99376
H       5.16297    4.56772   -0.60938
H      -6.02699    0.63403    5.89937
H      -5.16297   -4.56772    0.60938
H       6.02699   -0.63403   -5.89937
H       5.42076    2.49306    0.34935
H      -6.28477   -1.44063    4.94065
H      -5.42076   -2.49306   -0.34935
H       6.28477    1.44063   -4.94065
H       4.37309    1.83927   -1.97358
H      -5.23710   -2.09442    7.26357
H      -4.37309   -1.83927    1.97358
H       5.23710    2.09442   -7.26357
H       2.99009    2.78184   -1.40787
H      -3.85411   -1.15184    6.69786
H      -2.99009   -2.78184    1.40787
H       3.85411    1.15184   -6.69786
H       0.92541    0.08187    1.91511
H      -1.78943   -3.85182    3.37489
H      -0.92541   -0.08187   -1.91511
H       1.78943    3.85182   -3.37489
H       1.80586    2.02052    0.74666
H      -2.66988   -1.91317    4.54333
H      -1.80586   -2.02052   -0.74666
H       2.66988    1.91317   -4.54333
H       3.70163   -2.40849   -0.13900
H      -4.56564   -6.34218    5.42899
H      -3.70163    2.40849    0.13900
H       4.56564    6.34218   -5.42899
H       4.57951   -0.46642   -1.30322
H      -5.44353   -4.40011    6.59322
H      -4.57951    0.46642    1.30322
H       5.44353    4.40011   -6.59322
O      -0.12659   -3.08101    0.25249
O      -0.73742   -7.01471    5.03751
O       0.12659    3.08101   -0.25249
O       0.73742    7.01471   -5.03751
O       1.40904   -4.68163    0.48455
O      -2.27306   -8.61532    4.80544
O      -1.40904    4.68163   -0.48455
O       2.27306    8.61532   -4.80544
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.93547   -3.44444    0.75306
C      -1.79949   -7.37813    4.53693
C      -0.93547    3.44444   -0.75306
C       1.79949    7.37813   -4.53693
C       0.85441   -2.14498    2.93779
C      -1.71843   -6.07868    2.35221
C      -0.85441    2.14498   -2.93779
C       1.71843    6.07868   -2.35221
C       1.70235   -2.55312    1.70407
C      -2.56637   -6.48682    3.58592
C      -1.70235    2.55312   -1.70407
C       2.56637    6.48682   -3.58592
C       6.24136    2.23286   -1.97572
C      -7.10537   -1.70083    7.26571
C      -6.24136   -2.23286    1.97572
C       7.10537    1.70083   -7.26571
C       5.50588    3.80937   -0.12145
C      -6.36990   -0.12432    5.41144
C      -5.50588   -3.80937    0.12145
C       6.36990    0.12432   -5.41144
C       5.32421    2.39284   -0.73527
C      -6.18822   -1.54085    6.02527
C      -5.32421   -2.39284    0.73527
C       6.18822    1.54085   -6.02527
C       3.82625    2.15137   -1.08234
C      -4.69026   -1.78232    6.37234
C      -3.82625   -2.15137    1.08234
C       4.69026    1.78232   -6.37234
C       1.70322   -0.04834    1.22041
C      -2.56723   -3.98203    4.06959
C      -1.70322    0.04834   -1.22041
C       2.56723    3.98203   -4.06959
C       2.21000    1.07117    0.54830
C      -3.07402   -2.86252    4.74169
C      -2.21000   -1.07117   -0.54830
C       3.07402    2.86252   -4.74169
C       2.23239   -1.32996    0.97618
C      -3.09641   -5.26365    4.31381
C      -2.23239    1.32996   -0.97618
C       3.09641    5.26365   -4.31381
C       3.28276   -1.46203    0.05275
C      -4.14677   -5.39572    5.23724
C      -3.28276    1.46203   -0.05275
C       4.14677    5.39572   -5.23724
C       3.25523    0.93340   -0.38644
C      -4.11925   -3.00029    5.67644
C      -3.25523   -0.93340    0.38644
C       4.11925    3.00029   -5.67644
C       3.79083   -0.34424   -0.62146
C      -4.65484   -4.27792    5.91145
C      -3.79083    0.34424    0.62146
C       4.65484    4.27792   -5.91145
H       0.94662   -5.26757   -0.08754
H      -1.81063   -9.20126    5.37753
H      -0.94662    5.26757    0.08754
H       1.81063    9.20126   -5.37753
H      -0.01683   -1.56272    2.63388
H      -0.84719   -5.49642    2.65611
H       0.01683    1.56272   -2.63388
H       0.84719    5.49642   -2.65611
H       0.51511   -3.04055    3.46384
H      -1.37913   -6.97425    1.82616
H      -0.51511    3.04055   -3.46384
H       1.37913    6.97425   -1.82616
H       1.46021   -1.54574    3.62079
H      -2.32423   -5.47944    1.66921
H      -1.46021    1.54574   -3.62079
H       2.32423    5.47944   -1.66921
H       2.19748   -3.44318    1.30776
H      -3.06149   -7.37688    3.98224
H      -2.19748    3.44318   -1.30776
H       3.06149    7.37688   -3.98224
H       7.27491    2.45011   -1.70019
H      -8.13892   -1.48358    6.99019
H      -7.27491   -2.45011    1.70019
H       8.13892    1.48358   -6.99019
H       6.19395    1.21096   -2.34894
H      -7.05796   -2.72272    7.63893
H      -6.19395   -1.21096    2.34894
H       7.05796    2.72272   -7.63893
H       5.93358    2.91818   -2.76398
H      -6.79760   -1.01550    8.05397
H      -5.93358   -2.91818    2.76398
H       6.79760    1.01550   -8.05397
H       4.88603    3.90545    0.77454
H      -5.75005   -0.02824    4.51545
H      -4.88603   -3.90545   -0.77454
H       5.75005    0.02824   -4.51545
H       6.54826    3.96172    0.15819
H      -7.41228    0.02803    5.13181
H      -6.54826   -3.96172   -0.15819
H       7.41228   -0.02803   -5.13181
H       5.21480    4.57224   -0.83624
H      -6.07881    0.63856    6.12624
H      -5.21480   -4.57224    0.83624
H       6.07881   -0.63856   -6.12624
H       5.42076    2.49306    0.34935
H      -6.28477   -1.44063    4.94065
H      -5.42076   -2.49306   -0.34935
H       6.28477    1.44063   -4.94065
H       4.37309    1.83927   -1.97358
H      -5.23710   -2.09442    7.26357
H      -4.37309   -1.83927    1.97358
H       5.23710    2.09442   -7.26357
H       2.99009    2.78184   -1.40787
H      -3.85411   -1.15184    6.69786
H      -2.99009   -2.78184    1.40787
H       3.85411    1.15184   -6.69786
H       0.92541    0.08187    1.91511
H      -1.78943   -3.85182    3.37489
H      -0.92541   -0.08187   -1.91511
H       1.78943    3.85182   -3.37489
H       1.80586    2.02052    0.74666
H      -2.66988   -1.91317    4.54333
H      -1.80586   -2.02052   -0.74666
H       2.66988    1.91317   -4.54333
H       3.70163   -2.40849   -0.13900
H      -4.56564   -6.34218    5.42899
H      -3.70163    2.40849    0.13900
H       4.56564    6.34218   -5.42899
H       4.57951   -0.46642   -1.30322
H      -5.44353   -4.40011    6.59322
H      -4.57951    0.46642    1.30322
H       5.44353    4.40011   -6.59322
O      -0.12659   -3.08101    0.25249
O      -0.73742   -7.01471    5.03751
O       0.12659    3.08101   -0.25249
O       0.73742    7.01471   -5.03751
O       1.40904   -4.68163    0.48455
O      -2.27306   -8.61532    4.80544
O      -1.40904    4.68163   -0.48455
O       2.27306    8.61532   -4.80544
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.93547   -3.44444    0.75306
C      -1.79949   -7.37813    4.53693
C      -0.93547    3.44444   -0.75306
C       1.79949    7.37813   -4.53693
C       0.85441   -2.14498    2.93779
C      -1.71843   -6.07868    2.35221
C      -0.85441    2.14498   -2.93779
C       1.71843    6.07868   -2.35221
C       1.70235   -2.55312    1.70407
C      -2.56637   -6.48682    3.58592
C      -1.70235    2.55312   -1.70407
C       2.56637    6.48682   -3.58592
C       6.24136    2.23286   -1.97572
C      -7.10537   -1.70083    7.26571
C      -6.24136   -2.23286    1.97572
C       7.10537    1.70083   -7.26571
C       5.50588    3.80937   -0.12145
C      -6.36990   -0.12432    5.41144
C      -5.50588   -3.80937    0.12145
C       6.36990    0.12432   -5.41144
C       5.32421    2.39284   -0.73527
C      -6.18822   -1.54085    6.02527
C      -5.32421   -2.39284    0.73527
C       6.18822    1.54085   -6.02527
C       3.82625    2.15137   -1.08234
C      -4.69026   -1.78232    6.37234
C      -3.82625   -2.15137    1.08234
C       4.69026    1.78232   -6.37234
C       1.70322   -0.04834    1.22041
C      -2.56723   -3.98203    4.06959
C      -1.70322    0.04834   -1.22041
C       2.56723    3.98203   -4.06959
C       2.21000    1.07117    0.54830
C      -3.07402   -2.86252    4.74169
C      -2.21000   -1.07117   -0.54830
C       3.07402    2.86252   -4.74169
C       2.23239   -1.32996    0.97618
C      -3.09641   -5.26365    4.31381
C      -2.23239    1.32996   -0.97618
C       3.09641    5.26365   -4.31381
C       3.28276   -1.46203    0.05275
C      -4.14677   -5.39572    5.23724
C      -3.28276    1.46203   -0.05275
C       4.14677    5.39572   -5.23724
C       3.25523    0.93340   -0.38644
C      -4.11925   -3.00029    5.67644
C      -3.25523   -0.93340    0.38644
C       4.11925    3.00029   -5.67644
C       3.79083   -0.34424   -0.62146
C      -4.65484   -4.27792    5.91145
C      -3.79083    0.34424    0.62146
C       4.65484    4.27792   -5.91145
H       0.96082   -5.25776   -0.10819
H      -1.82484   -9.19145    5.39819
H      -0.96082    5.25776    0.10819
H       1.82484    9.19145   -5.39819
H      -0.01683   -1.56272    2.63388
H      -0.84719   -5.49642    2.65611
H       0.01683    1.56272   -2.63388
H       0.84719    5.49642   -2.65611
H       0.51511   -3.04055    3.46384
H      -1.37913   -6.97425    1.82616
H      -0.51511    3.04055   -3.46384
H       1.37913    6.97425   -1.82616
H       1.46021   -1.54574    3.62079
H      -2.32423   -5.47944    1.66921
H      -1.46021    1.54574   -3.62079
H       2.32423    5.47944   -1.66921
H       2.19748   -3.44318    1.30776
H      -3.06149   -7.37688    3.98224
H      -2.19748    3.44318   -1.30776
H       3.06149    7.37688   -3.98224
H       7.27491    2.45011   -1.70019
H      -8.13892   -1.48358    6.99019
H      -7.27491   -2.45011    1.70019
H       8.13892    1.48358   -6.99019
H       6.19395    1.21096   -2.34894
H      -7.05796   -2.72272    7.63893
H      -6.19395   -1.21096    2.34894
H       7.05796    2.72272   -7.63893
H       5.93358    2.91818   -2.76398
H      -6.79760   -1.01550    8.05397
H      -5.93358   -2.91818    2.76398
H       6.79760    1.01550   -8.05397
H       4.88603    3.90545    0.77454
H      -5.75005   -0.02824    4.51545
H      -4.88603   -3.90545   -0.77454
H       5.75005    0.02824   -4.51545
H       6.54826    3.96172    0.15819
H      -7.41228    0.02803    5.13181
H      -6.54826   -3.96172   -0.15819
H       7.41228   -0.02803   -5.13181
H       5.21480    4.57224   -0.83624
H      -6.07881    0.63856    6.12624
H      -5.21480   -4.57224    0.83624
H       6.07881   -0.63856   -6.12624
H       5.42076    2.49306    0.34935
H      -6.28477   -1.44063    4.94065
H      -5.42076   -2.49306   -0.34935
H       6.28477    1.44063   -4.94065
H       4.37309    1.83927   -1.97358
H      -5.23710   -2.09442    7.26357
H      -4.37309   -1.83927    1.97358
H       5.23710    2.09442   -7.26357
H       2.99009    2.78184   -1.40787
H      -3.85411   -1.15184    6.69786
H      -2.99009   -2.78184    1.40787
H       3.85411    1.15184   -6.69786
H       0.92541    0.08187    1.91511
H      -1.78943   -3.85182    3.37489
H      -0.92541   -0.08187   -1.91511
H       1.78943    3.85182   -3.37489
H       1.80586    2.02052    0.74666
H      -2.66988   -1.91317    4.54333
H      -1.80586   -2.02052   -0.74666
H       2.66988    1.91317   -4.54333
H       3.70163   -2.40849   -0.13900
H      -4.56564   -6.34218    5.42899
H      -3.70163    2.40849    0.13900
H       4.56564    6.34218   -5.42899
H       4.57951   -0.46642   -1.30322
H      -5.44353   -4.40011    6.59322
H      -4.57951    0.46642    1.30322
H       5.44353    4.40011   -6.59322
O      -0.13802   -3.09036    0.27045
O      -0.72600   -7.02405    5.01954
O       0.13802    3.09036   -0.27045
O       0.72600    7.02405   -5.01954
O       1.42255   -4.67181    0.46445
O      -2.28657   -8.60550    4.82555
O      -1.42255    4.67181   -0.46445
O       2.28657    8.60550   -4.82555
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.93547   -3.44444    0.75306
C      -1.79949   -7.37813    4.53693
C      -0.93547    3.44444   -0.75306
C       1.79949    7.37813   -4.53693
C       0.85441   -2.14498    2.93779
C      -1.71843   -6.07868    2.35221
C      -0.85441    2.14498   -2.93779
C       1.71843    6.07868   -2.35221
C       1.70235   -2.55312    1.70407
C      -2.56637   -6.48682    3.58592
C      -1.70235    2.55312   -1.70407
C       2.56637    6.48682   -3.58592
C       6.25581    2.08771   -1.93714
C      -7.11982   -1.84597    7.22713
C      -6.25581   -2.08771    1.93714
C       7.11982    1.84597   -7.22713
C       5.53081    3.85969   -0.26407
C      -6.39482   -0.07400    5.55407
C      -5.53081   -3.85969    0.26407
C       6.39482    0.07400   -5.55407
C       5.32421    2.39284   -0.73527
C      -6.18822   -1.54085    6.02527
C      -5.32421   -2.39284    0.73527
C       6.18822    1.54085   -6.02527
C       3.82625    2.15137   -1.08234
C      -4.69026   -1.78232    6.37234
C      -3.82625   -2.15137    1.08234
C       4.69026    1.78232   -6.37234
C       1.70322   -0.04834    1.22041
C      -2.56723   -3.98203    4.06959
C      -1.70322    0.04834   -1.22041
C       2.56723    3.98203   -4.06959
C       2.21000    1.07117    0.54830
C      -3.07402   -2.86252    4.74169
C      -2.21000   -1.07117   -0.54830
C       3.07402    2.86252   -4.74169
C       2.23239   -1.32996    0.97618
C      -3.09641   -5.26365    4.31381
C      -2.23239    1.32996   -0.97618
C       3.09641    5.26365   -4.31381
C       3.28276   -1.46203    0.05275
C      -4.14677   -5.39572    5.23724
C      -3.28276    1.46203   -0.05275
C       4.14677    5.39572   -5.23724
C       3.25523    0.93340   -0.38644
C      -4.11925   -3.00029    5.67644
C      -3.25523   -0.93340    0.38644
C       4.11925    3.00029   -5.67644
C       3.79083   -0.34424   -0.62146
C      -4.65484   -4.27792    5.91145
C      -3.79083    0.34424    0.62146
C       4.65484    4.27792   -5.91145
H       0.96082   -5.25776   -0.10819
H      -1.82484   -9.19145    5.39819
H      -0.96082    5.25776    0.10819
H       1.82484    9.19145   -5.39819
H      -0.01683   -1.56272    2.63388
H      -0.84719   -5.49642    2.65611
H       0.01683    1.56272   -2.63388
H       0.84719    5.49642   -2.65611
H       0.51511   -3.04055    3.46384
H      -1.37913   -6.97425    1.82616
H      -0.51511    3.04055   -3.46384
H       1.37913    6.97425   -1.82616
H       1.46021   -1.54574    3.62079
H      -2.32423   -5.47944    1.66921
H      -1.46021    1.54574   -3.62079
H       2.32423    5.47944   -1.66921
H       2.19748   -3.44318    1.30776
H      -3.06149   -7.37688    3.98224
H      -2.19748    3.44318   -1.30776
H       3.06149    7.37688   -3.98224
H       7.29004    2.30834   -1.66689
H      -8.15405   -1.62535    6.95689
H      -7.29004   -2.30834    1.66689
H       8.15405    1.62535   -6.95689
H       6.18933    1.03467   -2.20637
H      -7.05334   -2.89901    7.49636
H      -6.18933   -1.03467    2.20637
H       7.05334    2.89901   -7.49636
H       5.97661    2.69665   -2.79562
H      -6.84063   -1.23703    8.08561
H      -5.97661   -2.69665    2.79562
H       6.84063    1.23703   -8.08561
H       4.90002    4.05975    0.60675
H      -5.76404    0.12605    4.68325
H      -4.90002   -4.05975   -0.60675
H       5.76404   -0.12605   -4.68325
H       6.57223    4.01597    0.01694
H      -7.43625    0.08228    5.27305
H      -6.57223   -4.01597   -0.01694
H       7.43625   -0.08228   -5.27305
H       5.26907    4.55280   -1.05699
H      -6.13309    0.61912    6.34698
H      -5.26907   -4.55280    1.05699
H       6.13309   -0.61912   -6.34698
H       5.42076    2.49306    0.34935
H      -6.28477   -1.44063    4.94065
H      -5.42076   -2.49306   -0.34935
H       6.28477    1.44063   -4.94065
H       4.37309    1.83927   -1.97358
H      -5.23710   -2.09442    7.26357
H      -4.37309   -1.83927    1.97358
H       5.23710    2.09442   -7.26357
H       2.99009    2.78184   -1.40787
H      -3.85411   -1.15184    6.69786
H      -2.99009   -2.78184    1.40787
H       3.85411    1.15184   -6.69786
H       0.92541    0.08187    1.91511
H      -1.78943   -3.85182    3.37489
H      -0.92541   -0.08187   -1.91511
H       1.78943    3.85182   -3.37489
H       1.80586    2.02052    0.74666
H      -2.66988   -1.91317    4.54333
H      -1.80586   -2.02052   -0.74666
H       2.66988    1.91317   -4.54333
H       3.70163   -2.40849   -0.13900
H      -4.56564   -6.34218    5.42899
H      -3.70163    2.40849    0.13900
H       4.56564    6.34218   -5.42899
H       4.57951   -0.46642   -1.30322
H      -5.44353   -4.40011    6.59322
H      -4.57951    0.46642    1.30322
H       5.44353    4.40011   -6.59322
O      -0.13802   -3.09036    0.27045
O      -0.72600   -7.02405    5.01954
O       0.13802    3.09036   -0.27045
O       0.72600    7.02405   -5.01954
O       1.42255   -4.67181    0.46445
O      -2.28657   -8.60550    4.82555
O      -1.42255    4.67181   -0.46445
O       2.28657    8.60550   -4.82555
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368    0.34190    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368   -0.34190   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262    1.64136    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262   -1.64136   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055    1.23322    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055   -1.23322   -6.62139
C       2.14457    2.70049    1.33140
C       5.83401    5.87406    2.98018
C      -6.69803    1.94036    2.30981
C      -5.83401   -5.87406   -2.98018
C       6.69803   -1.94036   -2.30981
C       5.10901    7.64603    4.65325
C      -5.97303    3.71233    0.63675
C      -5.10901   -7.64603   -4.65325
C       5.97303   -3.71233   -0.63675
C       4.90241    6.17918    4.18204
C      -5.76643    2.24548    1.10795
C      -4.90241   -6.17918   -4.18204
C       5.76643   -2.24548   -1.10795
C       3.40445    5.93771    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445   -5.93771   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142    3.73800    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142   -3.73800   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821    4.85751    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821   -4.85751   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060    2.45638    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060   -2.45638   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096    2.32431    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096   -2.32431   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344    4.71974    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344   -4.71974   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903    3.44210    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903   -3.44210   -4.29586
C       4.23305    0.49160   -0.99413
H       0.53903   -1.47142    4.80913
H      -1.40304   -5.40512    0.48087
H      -0.53903    1.47142   -4.80913
H       1.40304    5.40512   -0.48087
H      -0.43862    2.22361    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862   -2.22361   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332    0.74579    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332   -0.74579   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842    2.24060    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842   -2.24060   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568    0.34315    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568   -0.34315   -6.22508
H       2.63970    3.59055    0.93508
H       6.86824    6.09468    3.25043
H      -7.73226    2.16098    2.03957
H      -6.86824   -6.09468   -3.25043
H       7.73226   -2.16098   -2.03957
H       5.76753    4.82101    2.71095
H      -6.63155    0.88731    2.57904
H      -5.76753   -4.82101   -2.71095
H       6.63155   -0.88731   -2.57904
H       5.55482    6.48299    2.12170
H      -6.41884    2.54930    3.16829
H      -5.55482   -6.48299   -2.12170
H       6.41884   -2.54930   -3.16829
H       4.47823    7.84609    5.52407
H      -5.34225    3.91238   -0.23407
H      -4.47823   -7.84609   -5.52407
H       5.34225   -3.91238    0.23407
H       6.15044    7.80231    4.93426
H      -7.01446    3.86861    0.35573
H      -6.15044   -7.80231   -4.93426
H       7.01446   -3.86861   -0.35573
H       4.84727    8.33914    3.86033
H      -5.71129    4.40545    1.42967
H      -4.84727   -8.33914   -3.86033
H       5.71129   -4.40545   -1.42967
H       4.99896    6.27940    5.26667
H      -5.86298    2.34570    0.02333
H      -4.99896   -6.27940   -5.26667
H       5.86298   -2.34570   -0.02333
H       3.95129    5.62561    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129   -5.62561   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830    6.56819    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830   -6.56819   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362    3.86821    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362   -3.86821   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407    5.80686    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407   -5.80686   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983    1.37785    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983   -1.37785   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772    3.31992    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772   -3.31992   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.55981    0.69598    5.18777
O      -0.30421   -3.23772    0.10222
O       0.55981   -0.69598   -5.18777
O       0.30421    3.23772   -0.10222
O       1.00076   -0.88547    5.38176
O      -1.86477   -4.81918   -0.09177
O      -1.00076    0.88547   -5.38176
O       1.86477    4.81918    0.09177
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368    0.34190    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368   -0.34190   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262    1.64136    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262   -1.64136   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055    1.23322    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055   -1.23322   -6.62139
C       2.14457    2.70049    1.33140
C       5.83401    5.87406    2.98018
C      -6.69803    1.94036    2.30981
C      -5.83401   -5.87406   -2.98018
C       6.69803   -1.94036   -2.30981
C       5.10901    7.64603    4.65325
C      -5.97303    3.71233    0.63675
C      -5.10901   -7.64603   -4.65325
C       5.97303   -3.71233   -0.63675
C       4.90241    6.17918    4.18204
C      -5.76643    2.24548    1.10795
C      -4.90241   -6.17918   -4.18204
C       5.76643   -2.24548   -1.10795
C       3.40445    5.93771    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445   -5.93771   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142    3.73800    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142   -3.73800   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821    4.85751    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821   -4.85751   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060    2.45638    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060   -2.45638   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096    2.32431    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096   -2.32431   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344    4.71974    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344   -4.71974   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903    3.44210    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903   -3.44210   -4.29586
C       4.23305    0.49160   -0.99413
H       0.37551   -1.55083    5.01539
H      -1.23953   -5.48453    0.27460
H      -0.37551    1.55083   -5.01539
H       1.23953    5.48453   -0.27460
H      -0.43862    2.22361    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862   -2.22361   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332    0.74579    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332   -0.74579   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842    2.24060    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842   -2.24060   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568    0.34315    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568   -0.34315   -6.22508
H       2.63970    3.59055    0.93508
H       6.86824    6.09468    3.25043
H      -7.73226    2.16098    2.03957
H      -6.86824   -6.09468   -3.25043
H       7.73226   -2.16098   -2.03957
H       5.76753    4.82101    2.71095
H      -6.63155    0.88731    2.57904
H      -5.76753   -4.82101   -2.71095
H       6.63155   -0.88731   -2.57904
H       5.55482    6.48299    2.12170
H      -6.41884    2.54930    3.16829
H      -5.55482   -6.48299   -2.12170
H       6.41884   -2.54930   -3.16829
H       4.47823    7.84609    5.52407
H      -5.34225    3.91238   -0.23407
H      -4.47823   -7.84609   -5.52407
H       5.34225   -3.91238    0.23407
H       6.15044    7.80231    4.93426
H      -7.01446    3.86861    0.35573
H      -6.15044   -7.80231   -4.93426
H       7.01446   -3.86861   -0.35573
H       4.84727    8.33914    3.86033
H      -5.71129    4.40545    1.42967
H      -4.84727   -8.33914   -3.86033
H       5.71129   -4.40545   -1.42967
H       4.99896    6.27940    5.26667
H      -5.86298    2.34570    0.02333
H      -4.99896   -6.27940   -5.26667
H       5.86298   -2.34570   -0.02333
H       3.95129    5.62561    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129   -5.62561   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830    6.56819    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830   -6.56819   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362    3.86821    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362   -3.86821   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407    5.80686    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407   -5.80686   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983    1.37785    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983   -1.37785   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772    3.31992    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772   -3.31992   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.42676    0.77398    5.00736
O      -0.43726   -3.15972    0.28263
O       0.42676   -0.77398   -5.00736
O       0.43726    3.15972   -0.28263
O       0.84458   -0.96570    5.58288
O      -1.70859   -4.89941   -0.29289
O      -0.84458    0.96570   -5.58288
O       1.70859    4.89941    0.29289
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368    0.34190    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368   -0.34190   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262    1.64136    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262   -1.64136   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055    1.23322    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055   -1.23322   -6.62139
C       2.14457    2.70049    1.33140
C       5.83401    5.87406    2.98018
C      -6.69803    1.94036    2.30981
C      -5.83401   -5.87406   -2.98018
C       6.69803   -1.94036   -2.30981
C       5.10901    7.64603    4.65325
C      -5.97303    3.71233    0.63675
C      -5.10901   -7.64603   -4.65325
C       5.97303   -3.71233   -0.63675
C       4.90241    6.17918    4.18204
C      -5.76643    2.24548    1.10795
C      -4.90241   -6.17918   -4.18204
C       5.76643   -2.24548   -1.10795
C       3.40445    5.93771    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445   -5.93771   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142    3.73800    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142   -3.73800   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821    4.85751    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821   -4.85751   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060    2.45638    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060   -2.45638   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096    2.32431    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096   -2.32431   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344    4.71974    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344   -4.71974   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903    3.44210    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903   -3.44210   -4.29586
C       4.23305    0.49160   -0.99413
H       0.47004   -1.51307    4.90376
H      -1.33405   -5.44677    0.38623
H      -0.47004    1.51307   -4.90376
H       1.33405    5.44677   -0.38623
H      -0.43862    2.22361    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862   -2.22361   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332    0.74579    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332   -0.74579   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842    2.24060    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842   -2.24060   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568    0.34315    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568   -0.34315   -6.22508
H       2.63970    3.59055    0.93508
H       6.86824    6.09468    3.25043
H      -7.73226    2.16098    2.03957
H      -6.86824   -6.09468   -3.25043
H       7.73226   -2.16098   -2.03957
H       5.76753    4.82101    2.71095
H      -6.63155    0.88731    2.57904
H      -5.76753   -4.82101   -2.71095
H       6.63155   -0.88731   -2.57904
H       5.55482    6.48299    2.12170
H      -6.41884    2.54930    3.16829
H      -5.55482   -6.48299   -2.12170
H       6.41884   -2.54930   -3.16829
H       4.47823    7.84609    5.52407
H      -5.34225    3.91238   -0.23407
H      -4.47823   -7.84609   -5.52407
H       5.34225   -3.91238    0.23407
H       6.15044    7.80231    4.93426
H      -7.01446    3.86861    0.35573
H      -6.15044   -7.80231   -4.93426
H       7.01446   -3.86861   -0.35573
H       4.84727    8.33914    3.86033
H      -5.71129    4.40545    1.42967
H      -4.84727   -8.33914   -3.86033
H       5.71129   -4.40545   -1.42967
H       4.99896    6.27940    5.26667
H      -5.86298    2.34570    0.02333
H      -4.99896   -6.27940   -5.26667
H       5.86298   -2.34570   -0.02333
H       3.95129    5.62561    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129   -5.62561   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830    6.56819    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830   -6.56819   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362    3.86821    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362   -3.86821   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407    5.80686    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407   -5.80686   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983    1.37785    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983   -1.37785   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772    3.31992    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772   -3.31992   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.50419    0.73609    5.10529
O      -0.35983   -3.19761    0.18470
O       0.50419   -0.73609   -5.10529
O       0.35983    3.19761   -0.18470
O       0.93500   -0.92730    5.47394
O      -1.79902   -4.86100   -0.18395
O      -0.93500    0.92730   -5.47394
O       1.79902    4.86100    0.18395
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368    0.34190    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368   -0.34190   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262    1.64136    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262   -1.64136   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055    1.23322    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055   -1.23322   -6.62139
C       2.14457    2.70049    1.33140
C       5.78193    6.29776    2.91011
C      -6.64595    2.36406    2.37988
C      -5.78193   -6.29776   -2.91011
C       6.64595   -2.36406   -2.37988
C       5.04725    7.46220    5.04763
C      -5.91126    3.52849    0.24236
C      -5.04725   -7.46220   -5.04763
C       5.91126   -3.52849   -0.24236
C       4.90241    6.17918    4.18204
C      -5.76643    2.24548    1.10795
C      -4.90241   -6.17918   -4.18204
C       5.76643   -2.24548   -1.10795
C       3.40445    5.93771    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445   -5.93771   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142    3.73800    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142   -3.73800   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821    4.85751    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821   -4.85751   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060    2.45638    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060   -2.45638   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096    2.32431    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096   -2.32431   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344    4.71974    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344   -4.71974   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903    3.44210    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903   -3.44210   -4.29586
C       4.23305    0.49160   -0.99413
H       0.47004   -1.51307    4.90376
H      -1.33405   -5.44677    0.38623
H      -0.47004    1.51307   -4.90376
H       1.33405    5.44677   -0.38623
H      -0.43862    2.22361    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862   -2.22361   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332    0.74579    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332   -0.74579   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842    2.24060    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842   -2.24060   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568    0.34315    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568   -0.34315   -6.22508
H       2.63970    3.59055    0.93508
H       6.81466    6.50729    3.19455
H      -7.67867    2.57359    2.09544
H      -6.81466   -6.50729   -3.19455
H       7.67867   -2.57359   -2.09544
H       5.76336    5.36302    2.35180
H      -6.62737    1.42932    2.93819
H      -5.76336   -5.36302   -2.35180
H       6.62737   -1.42932   -2.93819
H       5.41945    7.10379    2.27398
H      -6.28347    3.17010    3.01601
H      -5.41945   -7.10379   -2.27398
H       6.28347   -3.17010   -3.01601
H       4.45529    7.35941    5.96156
H      -5.31931    3.42571   -0.67157
H      -4.45529   -7.35941   -5.96156
H       5.31931   -3.42571    0.67157
H       6.09158    7.60769    5.32360
H      -6.95560    3.67399   -0.03361
H      -6.09158   -7.60769   -5.32360
H       6.95560   -3.67399    0.03361
H       4.70081    8.33130    4.49784
H      -5.56483    4.39760    0.79216
H      -4.70081   -8.33130   -4.49784
H       5.56483   -4.39760   -0.79216
H       4.99896    6.27940    5.26667
H      -5.86298    2.34570    0.02333
H      -4.99896   -6.27940   -5.26667
H       5.86298   -2.34570   -0.02333
H       3.95129    5.62561    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129   -5.62561   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830    6.56819    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830   -6.56819   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362    3.86821    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362   -3.86821   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407    5.80686    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407   -5.80686   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983    1.37785    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983   -1.37785   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772    3.31992    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772   -3.31992   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.50419    0.73609    5.10529
O      -0.35983   -3.19761    0.18470
O       0.50419   -0.73609   -5.10529
O       0.35983    3.19761   -0.18470
O       0.93500   -0.92730    5.47394
O      -1.79902   -4.86100   -0.18395
O      -0.93500    0.92730   -5.47394
O       1.79902    4.86100    0.18395
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368    0.34190    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368   -0.34190   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262    1.64136    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262   -1.64136   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055    1.23322    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055   -1.23322   -6.62139
C       2.14457    2.70049    1.33140
C       5.78193    6.29776    2.91011
C      -6.64595    2.36406    2.37988
C      -5.78193   -6.29776   -2.91011
C       6.64595   -2.36406   -2.37988
C       5.04725    7.46220    5.04763
C      -5.91126    3.52849    0.24236
C      -5.04725   -7.46220   -5.04763
C       5.91126   -3.52849   -0.24236
C       4.90241    6.17918    4.18204
C      -5.76643    2.24548    1.10795
C      -4.90241   -6.17918   -4.18204
C       5.76643   -2.24548   -1.10795
C       3.40445    5.93771    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445   -5.93771   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142    3.73800    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142   -3.73800   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821    4.85751    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821   -4.85751   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060    2.45638    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060   -2.45638   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096    2.32431    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096   -2.32431   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344    4.71974    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344   -4.71974   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903    3.44210    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903   -3.44210   -4.29586
C       4.23305    0.49160   -0.99413
H       0.31103   -1.56699    5.08250
H      -1.17504   -5.50069    0.20749
H      -0.31103    1.56699   -5.08250
H       1.17504    5.50069   -0.20749
H      -0.43862    2.22361    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862   -2.22361   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332    0.74579    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332   -0.74579   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842    2.24060    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842   -2.24060   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568    0.34315    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568   -0.34315   -6.22508
H       2.63970    3.59055    0.93508
H       6.81466    6.50729    3.19455
H      -7.67867    2.57359    2.09544
H      -6.81466   -6.50729   -3.19455
H       7.67867   -2.57359   -2.09544
H       5.76336    5.36302    2.35180
H      -6.62737    1.42932    2.93819
H      -5.76336   -5.36302   -2.35180
H       6.62737   -1.42932   -2.93819
H       5.41945    7.10379    2.27398
H      -6.28347    3.17010    3.01601
H      -5.41945   -7.10379   -2.27398
H       6.28347   -3.17010   -3.01601
H       4.45529    7.35941    5.96156
H      -5.31931    3.42571   -0.67157
H      -4.45529   -7.35941   -5.96156
H       5.31931   -3.42571    0.67157
H       6.09158    7.60769    5.32360
H      -6.95560    3.67399   -0.03361
H      -6.09158   -7.60769   -5.32360
H       6.95560   -3.67399    0.03361
H       4.70081    8.33130    4.49784
H      -5.56483    4.39760    0.79216
H      -4.70081   -8.33130   -4.49784
H       5.56483   -4.39760   -0.79216
H       4.99896    6.27940    5.26667
H      -5.86298    2.34570    0.02333
H      -4.99896   -6.27940   -5.26667
H       5.86298   -2.34570   -0.02333
H       3.95129    5.62561    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129   -5.62561   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830    6.56819    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830   -6.56819   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362    3.86821    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362   -3.86821   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407    5.80686    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407   -5.80686   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983    1.37785    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983   -1.37785   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772    3.31992    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772   -3.31992   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.37353    0.79135    4.94812
O      -0.49048   -3.14235    0.34187
O       0.37353   -0.79135   -4.94812
O       0.49048    3.14235   -0.34187
O       0.78271   -0.98252    5.64849
O      -1.64672   -4.91623   -0.35850
O      -0.78271    0.98252   -5.64849
O       1.64672    4.91623    0.35850
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368    0.34190    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368   -0.34190   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262    1.64136    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262   -1.64136   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055    1.23322    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055   -1.23322   -6.62139
C       2.14457    2.70049    1.33140
C       5.78193    6.29776    2.91011
C      -6.64595    2.36406    2.37988
C      -5.78193   -6.29776   -2.91011
C       6.64595   -2.36406   -2.37988
C       5.04725    7.46220    5.04763
C      -5.91126    3.52849    0.24236
C      -5.04725   -7.46220   -5.04763
C       5.91126   -3.52849   -0.24236
C       4.90241    6.17918    4.18204
C      -5.76643    2.24548    1.10795
C      -4.90241   -6.17918   -4.18204
C       5.76643   -2.24548   -1.10795
C       3.40445    5.93771    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445   -5.93771   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142    3.73800    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142   -3.73800   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821    4.85751    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821   -4.85751   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060    2.45638    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060   -2.45638   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096    2.32431    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096   -2.32431   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344    4.71974    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344   -4.71974   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903    3.44210    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903   -3.44210   -4.29586
C       4.23305    0.49160   -0.99413
H       0.37090   -1.55219    5.02033
H      -1.23492   -5.48589    0.26967
H      -0.37090    1.55219   -5.02033
H       1.23492    5.48589   -0.26967
H      -0.43862    2.22361    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862   -2.22361   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332    0.74579    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332   -0.74579   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842    2.24060    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842   -2.24060   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568    0.34315    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568   -0.34315   -6.22508
H       2.63970    3.59055    0.93508
H       6.81466    6.50729    3.19455
H      -7.67867    2.57359    2.09544
H      -6.81466   -6.50729   -3.19455
H       7.67867   -2.57359   -2.09544
H       5.76336    5.36302    2.35180
H      -6.62737    1.42932    2.93819
H      -5.76336   -5.36302   -2.35180
H       6.62737   -1.42932   -2.93819
H       5.41945    7.10379    2.27398
H      -6.28347    3.17010    3.01601
H      -5.41945   -7.10379   -2.27398
H       6.28347   -3.17010   -3.01601
H       4.45529    7.35941    5.96156
H      -5.31931    3.42571   -0.67157
H      -4.45529   -7.35941   -5.96156
H       5.31931   -3.42571    0.67157
H       6.09158    7.60769    5.32360
H      -6.95560    3.67399   -0.03361
H      -6.09158   -7.60769   -5.32360
H       6.95560   -3.67399    0.03361
H       4.70081    8.33130    4.49784
H      -5.56483    4.39760    0.79216
H      -4.70081   -8.33130   -4.49784
H       5.56483   -4.39760   -0.79216
H       4.99896    6.27940    5.26667
H      -5.86298    2.34570    0.02333
H      -4.99896   -6.27940   -5.26667
H       5.86298   -2.34570   -0.02333
H       3.95129    5.62561    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129   -5.62561   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830    6.56819    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830   -6.56819   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362    3.86821    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362   -3.86821   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407    5.80686    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407   -5.80686   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983    1.37785    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983   -1.37785   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772    3.31992    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772   -3.31992   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.42309    0.77540    5.00301
O      -0.44092   -3.15830    0.28698
O       0.42309   -0.77540   -5.00301
O       0.44092    3.15830   -0.28698
O       0.84015   -0.96711    5.58770
O      -1.70417   -4.90082   -0.29771
O      -0.84015    0.96711   -5.58770
O       1.70417    4.90082    0.29771
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368   -7.52549    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368    7.52549   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262   -6.22604    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262    6.22604   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.83504   -1.48158    3.10781
C      -6.69905    2.45211    2.18218
C      -5.83504    1.48158   -3.10781
C       6.69905   -2.45211   -2.18218
C       4.85468   -0.27406    5.11914
C      -5.71869    3.65963    0.17085
C      -4.85468    0.27406   -5.11914
C       5.71869   -3.65963   -0.17085
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H       0.37090   -9.41958    5.02033
H      -1.23492   -5.48589    0.26967
H      -0.37090    9.41958   -5.02033
H       1.23492    5.48589   -0.26967
H      -0.43862   -5.64378    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862    5.64378   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332   -7.12161    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332    7.12161   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842   -5.62679    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842    5.62679   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.82644   -1.20685    3.47246
H      -7.69046    2.72684    1.81753
H      -6.82644    1.20685   -3.47246
H       7.69046   -2.72684   -1.81753
H       5.91264   -2.43731    2.59169
H      -6.77665    1.49639    2.69830
H      -5.91264    2.43731   -2.59169
H       6.77665   -1.49639   -2.69830
H       5.49227   -0.72151    2.40743
H      -6.35629    3.21219    2.88257
H      -5.49227    0.72151   -2.40743
H       6.35629   -3.21219   -2.88257
H       4.18856   -0.37177    5.98111
H      -5.05258    3.56192   -0.69112
H      -4.18856    0.37177   -5.98111
H       5.05258   -3.56192    0.69112
H       5.86153   -0.06295    5.47921
H      -6.72554    3.87074   -0.18921
H      -5.86153    0.06295   -5.47921
H       6.72554   -3.87074    0.18921
H       4.51700    0.55320    4.50332
H      -5.38102    4.48689    0.78668
H      -4.51700   -0.55320   -4.50332
H       5.38102   -4.48689   -0.78668
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.42309   -7.09199    5.00301
O      -0.44092   -3.15830    0.28698
O       0.42309    7.09199   -5.00301
O       0.44092    3.15830   -0.28698
O       0.84015   -8.83451    5.58770
O      -1.70417   -4.90082   -0.29771
O      -0.84015    8.83451   -5.58770
O       1.70417    4.90082    0.29771
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.51368   -7.52549    5.67038
C      -1.37770   -3.59180   -0.38039
C      -0.51368    7.52549   -5.67038
C       1.37770    3.59180    0.38039
C       0.43262   -6.22604    7.85510
C      -1.29663   -2.29235   -2.56511
C      -0.43262    6.22604   -7.85510
C       1.29663    2.29235    2.56511
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.83504   -1.48158    3.10781
C      -6.69905    2.45211    2.18218
C      -5.83504    1.48158   -3.10781
C       6.69905   -2.45211   -2.18218
C       4.85468   -0.27406    5.11914
C      -5.71869    3.65963    0.17085
C      -4.85468    0.27406   -5.11914
C       5.71869   -3.65963   -0.17085
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H       0.24760   -9.44419    5.14280
H      -1.11162   -5.51050    0.14719
H      -0.24760    9.44419   -5.14280
H       1.11162    5.51050   -0.14719
H      -0.43862   -5.64378    7.55120
H      -0.42540   -1.71009   -2.26120
H       0.43862    5.64378   -7.55120
H       0.42540    1.71009    2.26120
H       0.09332   -7.12161    8.38116
H      -0.95734   -3.18792   -3.09116
H      -0.09332    7.12161   -8.38116
H       0.95734    3.18792    3.09116
H       1.03842   -5.62679    8.53811
H      -1.90244   -1.69311   -3.24811
H      -1.03842    5.62679   -8.53811
H       1.90244    1.69311    3.24811
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.82644   -1.20685    3.47246
H      -7.69046    2.72684    1.81753
H      -6.82644    1.20685   -3.47246
H       7.69046   -2.72684   -1.81753
H       5.91264   -2.43731    2.59169
H      -6.77665    1.49639    2.69830
H      -5.91264    2.43731   -2.59169
H       6.77665   -1.49639   -2.69830
H       5.49227   -0.72151    2.40743
H      -6.35629    3.21219    2.88257
H      -5.49227    0.72151   -2.40743
H       6.35629   -3.21219   -2.88257
H       4.18856   -0.37177    5.98111
H      -5.05258    3.56192   -0.69112
H      -4.18856    0.37177   -5.98111
H       5.05258   -3.56192    0.69112
H       5.86153   -0.06295    5.47921
H      -6.72554    3.87074   -0.18921
H      -5.86153    0.06295   -5.47921
H       6.72554   -3.87074    0.18921
H       4.51700    0.55320    4.50332
H      -5.38102    4.48689    0.78668
H      -4.51700   -0.55320   -4.50332
H       5.38102   -4.48689   -0.78668
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.32085   -7.06433    4.89464
O      -0.54316   -3.13064    0.39536
O       0.32085    7.06433   -4.89464
O       0.54316    3.13064   -0.39536
O       0.72175   -8.86050    5.70753
O      -1.58577   -4.92682   -0.41753
O      -0.72175    8.86050   -5.70753
O       1.58577    4.92682    0.41753
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49768   -7.51605    5.67461
C      -1.36169   -3.58236   -0.38462
C      -0.49768    7.51605   -5.67461
C       1.36169    3.58236    0.38462
C       0.44863   -6.22643    7.86611
C      -1.31264   -2.29275   -2.57611
C      -0.44863    6.22643   -7.86611
C       1.31264    2.29275    2.57611
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.83504   -1.48158    3.10781
C      -6.69905    2.45211    2.18218
C      -5.83504    1.48158   -3.10781
C       6.69905   -2.45211   -2.18218
C       4.85468   -0.27406    5.11914
C      -5.71869    3.65963    0.17085
C      -4.85468    0.27406   -5.11914
C       5.71869   -3.65963   -0.17085
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H       0.21351   -9.43049    5.14102
H      -1.07753   -5.49680    0.14898
H      -0.21351    9.43049   -5.14102
H       1.07753    5.49680   -0.14898
H      -0.42206   -5.63717    7.57438
H      -0.44196   -1.70348   -2.28438
H       0.42206    5.63717   -7.57438
H       0.44196    1.70348    2.28438
H       0.10925   -7.12228    8.39163
H      -0.97327   -3.18860   -3.10164
H      -0.10925    7.12228   -8.39163
H       0.97327    3.18860    3.10164
H       1.06564   -5.63432    8.54529
H      -1.92965   -1.70064   -3.25529
H      -1.06564    5.63432   -8.54529
H       1.92965    1.70064    3.25529
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.82644   -1.20685    3.47246
H      -7.69046    2.72684    1.81753
H      -6.82644    1.20685   -3.47246
H       7.69046   -2.72684   -1.81753
H       5.91264   -2.43731    2.59169
H      -6.77665    1.49639    2.69830
H      -5.91264    2.43731   -2.59169
H       6.77665   -1.49639   -2.69830
H       5.49227   -0.72151    2.40743
H      -6.35629    3.21219    2.88257
H      -5.49227    0.72151   -2.40743
H       6.35629   -3.21219   -2.88257
H       4.18856   -0.37177    5.98111
H      -5.05258    3.56192   -0.69112
H      -4.18856    0.37177   -5.98111
H       5.05258   -3.56192    0.69112
H       5.86153   -0.06295    5.47921
H      -6.72554    3.87074   -0.18921
H      -5.86153    0.06295   -5.47921
H       6.72554   -3.87074    0.18921
H       4.51700    0.55320    4.50332
H      -5.38102    4.48689    0.78668
H      -4.51700   -0.55320   -4.50332
H       5.38102   -4.48689   -0.78668
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.34220   -7.04589    4.91011
O      -0.52182   -3.11220    0.37988
O       0.34220    7.04589   -4.91011
O       0.52182    3.11220   -0.37988
O       0.69750   -8.85253    5.70328
O      -1.56151   -4.91884   -0.41329
O      -0.69750    8.85253   -5.70328
O       1.56151    4.91884    0.41329
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49768   -7.51605    5.67461
C      -1.36169   -3.58236   -0.38462
C      -0.49768    7.51605   -5.67461
C       1.36169    3.58236    0.38462
C       0.44863   -6.22643    7.86611
C      -1.31264   -2.29275   -2.57611
C      -0.44863    6.22643   -7.86611
C       1.31264    2.29275    2.57611
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.83504   -1.48158    3.10781
C      -6.69905    2.45211    2.18218
C      -5.83504    1.48158   -3.10781
C       6.69905   -2.45211   -2.18218
C       4.85468   -0.27406    5.11914
C      -5.71869    3.65963    0.17085
C      -4.85468    0.27406   -5.11914
C       5.71869   -3.65963   -0.17085
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H      -0.92182   -7.47201    4.25556
H       0.05780   -3.53831    1.03443
H       0.92182    7.47201   -4.25556
H      -0.05780    3.53831   -1.03443
H      -0.42206   -5.63717    7.57438
H      -0.44196   -1.70348   -2.28438
H       0.42206    5.63717   -7.57438
H       0.44196    1.70348    2.28438
H       0.10925   -7.12228    8.39163
H      -0.97327   -3.18860   -3.10164
H      -0.10925    7.12228   -8.39163
H       0.97327    3.18860    3.10164
H       1.06564   -5.63432    8.54529
H      -1.92965   -1.70064   -3.25529
H      -1.06564    5.63432   -8.54529
H       1.92965    1.70064    3.25529
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.82644   -1.20685    3.47246
H      -7.69046    2.72684    1.81753
H      -6.82644    1.20685   -3.47246
H       7.69046   -2.72684   -1.81753
H       5.91264   -2.43731    2.59169
H      -6.77665    1.49639    2.69830
H      -5.91264    2.43731   -2.59169
H       6.77665   -1.49639   -2.69830
H       5.49227   -0.72151    2.40743
H      -6.35629    3.21219    2.88257
H      -5.49227    0.72151   -2.40743
H       6.35629   -3.21219   -2.88257
H       4.18856   -0.37177    5.98111
H      -5.05258    3.56192   -0.69112
H      -4.18856    0.37177   -5.98111
H       5.05258   -3.56192    0.69112
H       5.86153   -0.06295    5.47921
H      -6.72554    3.87074   -0.18921
H      -5.86153    0.06295   -5.47921
H       6.72554   -3.87074    0.18921
H       4.51700    0.55320    4.50332
H      -5.38102    4.48689    0.78668
H      -4.51700   -0.55320   -4.50332
H       5.38102   -4.48689   -0.78668
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O       0.71695   -8.72298    5.59643
O      -1.58097   -4.78929   -0.30643
O      -0.71695    8.72298   -5.59643
O       1.58097    4.78929    0.30643
O      -0.43106   -6.95476    4.86878
O      -0.43295   -3.02107    0.42122
O       0.43106    6.95476   -4.86878
O       0.43295    3.02107   -0.42122
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49768   -7.51605    5.67461
C      -1.36169   -3.58236   -0.38462
C      -0.49768    7.51605   -5.67461
C       1.36169    3.58236    0.38462
C       0.44863   -6.22643    7.86611
C      -1.31264   -2.29275   -2.57611
C      -0.44863    6.22643   -7.86611
C       1.31264    2.29275    2.57611
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.84114   -1.51169    3.11036
C      -6.70515    2.42201    2.17963
C      -5.84114    1.51169   -3.11036
C       6.70515   -2.42201   -2.17963
C       4.85950   -0.25806    5.09266
C      -5.72352    3.67563    0.19734
C      -4.85950    0.25806   -5.09266
C       5.72352   -3.67563   -0.19734
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H      -0.92182   -7.47201    4.25556
H       0.05780   -3.53831    1.03443
H       0.92182    7.47201   -4.25556
H      -0.05780    3.53831   -1.03443
H      -0.42206   -5.63717    7.57438
H      -0.44196   -1.70348   -2.28438
H       0.42206    5.63717   -7.57438
H       0.44196    1.70348    2.28438
H       0.10925   -7.12228    8.39163
H      -0.97327   -3.18860   -3.10164
H      -0.10925    7.12228   -8.39163
H       0.97327    3.18860    3.10164
H       1.06564   -5.63432    8.54529
H      -1.92965   -1.70064   -3.25529
H      -1.06564    5.63432   -8.54529
H       1.92965    1.70064    3.25529
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.83263   -1.23607    3.47409
H      -7.69665    2.69762    1.81591
H      -6.83263    1.23607   -3.47409
H       7.69665   -2.69762   -1.81591
H       5.91489   -2.47799    2.61375
H      -6.77890    1.45571    2.67624
H      -5.91489    2.47799   -2.61375
H       6.77890   -1.45571   -2.67624
H       5.50648   -0.76356    2.39339
H      -6.37049    3.17013    2.89660
H      -5.50648    0.76356   -2.39339
H       6.37049   -3.17013   -2.89660
H       4.18887   -0.33431    5.95329
H      -5.05289    3.59938   -0.66330
H      -4.18887    0.33431   -5.95329
H       5.05289   -3.59938    0.66330
H       5.86605   -0.04624    5.45313
H      -6.73007    3.88745   -0.16314
H      -5.86605    0.04624   -5.45313
H       6.73007   -3.88745    0.16314
H       4.52999    0.55889    4.45891
H      -5.39400    4.49258    0.83108
H      -4.52999   -0.55889   -4.45891
H       5.39400   -4.49258   -0.83108
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O       0.71695   -8.72298    5.59643
O      -1.58097   -4.78929   -0.30643
O      -0.71695    8.72298   -5.59643
O       1.58097    4.78929    0.30643
O      -0.43106   -6.95476    4.86878
O      -0.43295   -3.02107    0.42122
O       0.43106    6.95476   -4.86878
O       0.43295    3.02107   -0.42122
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49768   -7.51605    5.67461
C      -1.36169   -3.58236   -0.38462
C      -0.49768    7.51605   -5.67461
C       1.36169    3.58236    0.38462
C       0.44863   -6.22643    7.86611
C      -1.31264   -2.29275   -2.57611
C      -0.44863    6.22643   -7.86611
C       1.31264    2.29275    2.57611
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.84114   -1.51169    3.11036
C      -6.70515    2.42201    2.17963
C      -5.84114    1.51169   -3.11036
C       6.70515   -2.42201   -2.17963
C       4.85950   -0.25806    5.09266
C      -5.72352    3.67563    0.19734
C      -4.85950    0.25806   -5.09266
C       5.72352   -3.67563   -0.19734
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H      -0.87640   -7.46529    4.21174
H       0.01238   -3.53160    1.07826
H       0.87640    7.46529   -4.21174
H      -0.01238    3.53160   -1.07826
H      -0.42206   -5.63717    7.57438
H      -0.44196   -1.70348   -2.28438
H       0.42206    5.63717   -7.57438
H       0.44196    1.70348    2.28438
H       0.10925   -7.12228    8.39163
H      -0.97327   -3.18860   -3.10164
H      -0.10925    7.12228   -8.39163
H       0.97327    3.18860    3.10164
H       1.06564   -5.63432    8.54529
H      -1.92965   -1.70064   -3.25529
H      -1.06564    5.63432   -8.54529
H       1.92965    1.70064    3.25529
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.83263   -1.23607    3.47409
H      -7.69665    2.69762    1.81591
H      -6.83263    1.23607   -3.47409
H       7.69665   -2.69762   -1.81591
H       5.91489   -2.47799    2.61375
H      -6.77890    1.45571    2.67624
H      -5.91489    2.47799   -2.61375
H       6.77890   -1.45571   -2.67624
H       5.50648   -0.76356    2.39339
H      -6.37049    3.17013    2.89660
H      -5.50648    0.76356   -2.39339
H       6.37049   -3.17013   -2.89660
H       4.18887   -0.33431    5.95329
H      -5.05289    3.59938   -0.66330
H      -4.18887    0.33431   -5.95329
H       5.05289   -3.59938    0.66330
H       5.86605   -0.04624    5.45313
H      -6.73007    3.88745   -0.16314
H      -5.86605    0.04624   -5.45313
H       6.73007   -3.88745    0.16314
H       4.52999    0.55889    4.45891
H      -5.39400    4.49258    0.83108
H      -4.52999   -0.55889   -4.45891
H       5.39400   -4.49258   -0.83108
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O       0.67911   -8.73112    5.63528
O      -1.54313   -4.79743   -0.34528
O      -0.67911    8.73112   -5.63528
O       1.54313    4.79743    0.34528
O      -0.38741   -6.94748    4.82588
O      -0.47661   -3.01378    0.46412
O       0.38741    6.94748   -4.82588
O       0.47661    3.01378   -0.46412
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49768   -7.51605    5.67461
C      -1.36169   -3.58236   -0.38462
C      -0.49768    7.51605   -5.67461
C       1.36169    3.58236    0.38462
C       0.44863   -6.22643    7.86611
C      -1.31264   -2.29275   -2.57611
C      -0.44863    6.22643   -7.86611
C       1.31264    2.29275    2.57611
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.84114   -1.51169    3.11036
C      -6.70515    2.42201    2.17963
C      -5.84114    1.51169   -3.11036
C       6.70515   -2.42201   -2.17963
C       4.85950   -0.25806    5.09266
C      -5.72352    3.67563    0.19734
C      -4.85950    0.25806   -5.09266
C       5.72352   -3.67563   -0.19734
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H       0.33910   -9.40506    5.01344
H      -1.20312   -5.47137    0.27656
H      -0.33910    9.40506   -5.01344
H       1.20312    5.47137   -0.27656
H      -0.42206   -5.63717    7.57438
H      -0.44196   -1.70348   -2.28438
H       0.42206    5.63717   -7.57438
H       0.44196    1.70348    2.28438
H       0.10925   -7.12228    8.39163
H      -0.97327   -3.18860   -3.10164
H      -0.10925    7.12228   -8.39163
H       0.97327    3.18860    3.10164
H       1.06564   -5.63432    8.54529
H      -1.92965   -1.70064   -3.25529
H      -1.06564    5.63432   -8.54529
H       1.92965    1.70064    3.25529
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.83263   -1.23607    3.47409
H      -7.69665    2.69762    1.81591
H      -6.83263    1.23607   -3.47409
H       7.69665   -2.69762   -1.81591
H       5.91489   -2.47799    2.61375
H      -6.77890    1.45571    2.67624
H      -5.91489    2.47799   -2.61375
H       6.77890   -1.45571   -2.67624
H       5.50648   -0.76356    2.39339
H      -6.37049    3.17013    2.89660
H      -5.50648    0.76356   -2.39339
H       6.37049   -3.17013   -2.89660
H       4.18887   -0.33431    5.95329
H      -5.05289    3.59938   -0.66330
H      -4.18887    0.33431   -5.95329
H       5.05289   -3.59938    0.66330
H       5.86605   -0.04624    5.45313
H      -6.73007    3.88745   -0.16314
H      -5.86605    0.04624   -5.45313
H       6.73007   -3.88745    0.16314
H       4.52999    0.55889    4.45891
H      -5.39400    4.49258    0.83108
H      -4.52999   -0.55889   -4.45891
H       5.39400   -4.49258   -0.83108
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.44633   -7.07452    5.02283
O      -0.41769   -3.14083    0.26717
O       0.44633    7.07452   -5.02283
O       0.41769    3.14083   -0.26717
O       0.81807   -8.82567    5.57850
O      -1.68209   -4.89198   -0.28850
O      -0.81807    8.82567   -5.57850
O       1.68209    4.89198    0.28850
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.49768   -7.51605    5.67461
C      -1.36169   -3.58236   -0.38462
C      -0.49768    7.51605   -5.67461
C       1.36169    3.58236    0.38462
C       0.44863   -6.22643    7.86611
C      -1.31264   -2.29275   -2.57611
C      -0.44863    6.22643   -7.86611
C       1.31264    2.29275    2.57611
C       1.28055   -6.63417    6.62139
C      -2.14457   -2.70049   -1.33140
C      -1.28055    6.63417   -6.62139
C       2.14457    2.70049    1.33140
C       5.84114   -1.51169    3.11036
C      -6.70515    2.42201    2.17963
C      -5.84114    1.51169   -3.11036
C       6.70515   -2.42201   -2.17963
C       4.85950   -0.25806    5.09266
C      -5.72352    3.67563    0.19734
C      -4.85950    0.25806   -5.09266
C       5.72352   -3.67563   -0.19734
C       4.85141   -1.59608    4.30146
C      -5.71543    2.33761    0.98854
C      -4.85141    1.59608   -4.30146
C       5.71543   -2.33761   -0.98854
C       3.40445   -1.92968    3.83497
C      -4.26847    2.00401    1.45502
C      -3.40445    1.92968   -3.83497
C       4.26847   -2.00401   -1.45502
C       1.28142   -4.12939    6.13772
C      -2.14544   -0.19570   -0.84773
C      -1.28142    4.12939   -6.13772
C       2.14544    0.19570    0.84773
C       1.78821   -3.00988    5.46562
C      -2.65223    0.92381   -0.17562
C      -1.78821    3.00988   -5.46562
C       2.65223   -0.92381    0.17562
C       1.81060   -5.41102    5.89350
C      -2.67462   -1.47733   -0.60351
C      -1.81060    5.41102   -5.89350
C       2.67462    1.47733    0.60351
C       2.86096   -5.54308    4.97007
C      -3.72498   -1.60939    0.31992
C      -2.86096    5.54308   -4.97007
C       3.72498    1.60939   -0.31992
C       2.83344   -3.14765    4.53087
C      -3.69746    0.78604    0.75912
C      -2.83344    3.14765   -4.53087
C       3.69746   -0.78604   -0.75912
C       3.36903   -4.42529    4.29586
C      -4.23305   -0.49160    0.99413
C      -3.36903    4.42529   -4.29586
C       4.23305    0.49160   -0.99413
H       0.34740   -9.40246    5.00413
H      -1.21142   -5.46877    0.28586
H      -0.34740    9.40246   -5.00413
H       1.21142    5.46877   -0.28586
H      -0.42206   -5.63717    7.57438
H      -0.44196   -1.70348   -2.28438
H       0.42206    5.63717   -7.57438
H       0.44196    1.70348    2.28438
H       0.10925   -7.12228    8.39163
H      -0.97327   -3.18860   -3.10164
H      -0.10925    7.12228   -8.39163
H       0.97327    3.18860    3.10164
H       1.06564   -5.63432    8.54529
H      -1.92965   -1.70064   -3.25529
H      -1.06564    5.63432   -8.54529
H       1.92965    1.70064    3.25529
H       1.77568   -7.52424    6.22508
H      -2.63970   -3.59055   -0.93508
H      -1.77568    7.52424   -6.22508
H       2.63970    3.59055    0.93508
H       6.83263   -1.23607    3.47409
H      -7.69665    2.69762    1.81591
H      -6.83263    1.23607   -3.47409
H       7.69665   -2.69762   -1.81591
H       5.91489   -2.47799    2.61375
H      -6.77890    1.45571    2.67624
H      -5.91489    2.47799   -2.61375
H       6.77890   -1.45571   -2.67624
H       5.50648   -0.76356    2.39339
H      -6.37049    3.17013    2.89660
H      -5.50648    0.76356   -2.39339
H       6.37049   -3.17013   -2.89660
H       4.18887   -0.33431    5.95329
H      -5.05289    3.59938   -0.66330
H      -4.18887    0.33431   -5.95329
H       5.05289   -3.59938    0.66330
H       5.86605   -0.04624    5.45313
H      -6.73007    3.88745   -0.16314
H      -5.86605    0.04624   -5.45313
H       6.73007   -3.88745    0.16314
H       4.52999    0.55889    4.45891
H      -5.39400    4.49258    0.83108
H      -4.52999   -0.55889   -4.45891
H       5.39400   -4.49258   -0.83108
H       4.84486   -1.44819    5.38491
H      -5.70888    2.48550   -0.09491
H      -4.84486    1.44819   -5.38491
H       5.70888   -2.48550    0.09491
H       3.95129   -2.24179    2.94374
H      -4.81531    1.69191    2.34625
H      -3.95129    2.24179   -2.94374
H       4.81531   -1.69191   -2.34625
H       2.56830   -1.29921    3.50945
H      -3.43232    2.63449    1.78054
H      -2.56830    1.29921   -3.50945
H       3.43232   -2.63449   -1.78054
H       0.50362   -3.99918    6.83242
H      -1.36764   -0.06549   -1.54243
H      -0.50362    3.99918   -6.83242
H       1.36764    0.06549    1.54243
H       1.38407   -2.06053    5.66398
H      -2.24808    1.87315   -0.37399
H      -1.38407    2.06053   -5.66398
H       2.24808   -1.87315    0.37399
H       3.27983   -6.48954    4.77832
H      -4.14385   -2.55585    0.51167
H      -3.27983    6.48954   -4.77832
H       4.14385    2.55585   -0.51167
H       4.15772   -4.54748    3.61409
H      -5.02173   -0.61378    1.67590
H      -4.15772    4.54748   -3.61409
H       5.02173    0.61378   -1.67590
O      -0.45321   -7.07722    5.03101
O      -0.41081   -3.14353    0.25898
O       0.45321    7.07722   -5.03101
O       0.41081    3.14353   -0.25898
O       0.82603   -8.82299    5.56941
O      -1.69004   -4.88930   -0.27941
O      -0.82603    8.82299   -5.56941
O       1.69004    4.88930    0.27941
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       0.44314   -7.49254    5.57976
C      -1.30716   -3.55885   -0.28977
C      -0.44314    7.49254   -5.57976
C       1.30716    3.55885    0.28977
C       0.11022   -6.07769    7.66676
C      -0.97424   -2.14400   -2.37676
C      -0.11022    6.07769   -7.66676
C       0.97424    2.14400    2.37676
C       1.09734   -6.55325    6.56806
C      -1.96136   -2.61956   -1.27807
C      -1.09734    6.55325   -6.56806
C       1.96136    2.61956    1.27807
C       6.09464   -1.62214    3.39356
C      -6.95865    2.31155    1.89643
C      -6.09464    1.62214   -3.39356
C       6.95865   -2.31155   -1.89643
C       4.86462   -0.25990    5.15312
C      -5.72864    3.67379    0.13688
C      -4.86462    0.25990   -5.15312
C       5.72864   -3.67379   -0.13688
C       4.95672   -1.64176    4.44719
C      -5.82073    2.29193    0.84280
C      -4.95672    1.64176   -4.44719
C       5.82073   -2.29193   -0.84280
C       3.58266   -2.00892    3.81494
C      -4.44667    1.92477    1.47505
C      -3.58266    2.00892   -3.81494
C       4.44667   -1.92477   -1.47505
C       1.16903   -4.08092    5.94330
C      -2.03305   -0.14723   -0.65330
C      -1.16903    4.08092   -5.94330
C       2.03305    0.14723    0.65330
C       1.76300   -3.00005    5.27939
C      -2.62701    0.93364    0.01061
C      -1.76300    3.00005   -5.27939
C       2.62701   -0.93364   -0.01061
C       1.72200   -5.37204    5.84595
C      -2.58602   -1.43835   -0.55596
C      -1.72200    5.37204   -5.84595
C       2.58602    1.43835    0.55596
C       2.88423   -5.55263    5.07782
C      -3.74825   -1.61894    0.21218
C      -2.88423    5.55263   -5.07782
C       3.74825    1.61894   -0.21218
C       2.92161   -3.18701    4.49971
C      -3.78562    0.74668    0.79028
C      -2.92161    3.18701   -4.49971
C       3.78562   -0.74668   -0.79028
C       3.47974   -4.47358    4.41210
C      -4.34376   -0.53989    0.87790
C      -3.47974    4.47358   -4.41210
C       4.34376    0.53989   -0.87790
H       0.37683   -9.41550    5.00664
H      -1.24084   -5.48181    0.28335
H      -0.37683    9.41550   -5.00664
H       1.24084    5.48181   -0.28335
H      -0.71286   -5.51061    7.22927
H      -0.15116   -1.57692   -1.93927
H       0.71286    5.51061   -7.22927
H       0.15116    1.57692    1.93927
H      -0.29787   -6.94301    8.19454
H      -0.56614   -3.00933   -2.90455
H       0.29787    6.94301   -8.19454
H       0.56614    3.00933    2.90455
H       0.63433   -5.44406    8.38537
H      -1.49835   -1.51037   -3.09537
H      -0.63433    5.44406   -8.38537
H       1.49835    1.51037    3.09537
H       1.63768   -7.46250    6.29288
H      -2.50170   -3.52881   -1.00289
H      -1.63768    7.46250   -6.29288
H       2.50170    3.52881    1.00289
H       7.03053   -1.32105    3.86767
H      -7.89454    2.61265    1.42232
H      -7.03053    1.32105   -3.86767
H       7.89454   -2.61265   -1.42232
H       6.23022   -2.61537    2.96822
H      -7.09424    1.31832    2.32178
H      -6.23022    2.61537   -2.96822
H       7.09424   -1.31832   -2.32178
H       5.85928   -0.91868    2.59640
H      -6.72330    3.01502    2.69360
H      -5.85928    0.91868   -2.59640
H       6.72330   -3.01502   -2.69360
H       4.08648   -0.28910    5.92116
H      -4.95049    3.64459   -0.63117
H      -4.08648    0.28910   -5.92116
H       4.95049   -3.64459    0.63117
H       5.81567   -0.02260    5.62971
H      -6.67969    3.91109   -0.33972
H      -5.81567    0.02260   -5.62971
H       6.67969   -3.91109    0.33972
H       4.62363    0.51716    4.43497
H      -5.48764    4.45085    0.85503
H      -4.62363   -0.51716   -4.43497
H       5.48764   -4.45085   -0.85503
H       4.80825   -1.43104    5.50989
H      -5.67227    2.50265   -0.21990
H      -4.80825    1.43104   -5.50989
H       5.67227   -2.50265    0.21990
H       4.24098   -2.36979    3.02303
H      -5.10500    1.56391    2.26697
H      -4.24098    2.36979   -3.02303
H       5.10500   -1.56391   -2.26697
H       2.79837   -1.40251    3.34614
H      -3.66239    2.53119    1.94385
H      -2.79837    1.40251   -3.34614
H       3.66239   -2.53119   -1.94385
H       0.30705   -3.91420    6.52100
H      -1.17107    0.01949   -1.23100
H      -0.30705    3.91420   -6.52100
H       1.17107   -0.01949    1.23100
H       1.33904   -2.04271    5.36717
H      -2.20306    1.89098   -0.07718
H      -1.33904    2.04271   -5.36717
H       2.20306   -1.89098    0.07718
H       3.32192   -6.50663    4.99835
H      -4.18594   -2.57293    0.29165
H      -3.32192    6.50663   -4.99835
H       4.18594    2.57293   -0.29165
H       4.35083   -4.63149    3.84815
H      -5.21485   -0.69779    1.44184
H      -4.35083    4.63149   -3.84815
H       5.21485    0.69779   -1.44184
O      -0.41363   -7.09652    4.79231
O      -0.45039   -3.16283    0.49768
O       0.41363    7.09652   -4.79231
O       0.45039    3.16283   -0.49768
O       0.77868   -8.80179    5.59509
O      -1.64270   -4.86810   -0.30510
O      -0.77868    8.80179   -5.59509
O       1.64270    4.86810    0.30510
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       1.30903    0.33234    0.41783
C      -2.17304   -3.60135    4.87216
C      -1.30903   -0.33234   -0.41783
C       2.17304    3.60135   -4.87216
C       0.97611    1.74720    2.50483
C      -1.84013   -2.18650    2.78517
C      -0.97611   -1.74720   -2.50483
C       1.84013    2.18650   -2.78517
C       1.96323    1.27164    1.40614
C      -2.82725   -2.66206    3.88386
C      -1.96323   -1.27164   -1.40614
C       2.82725    2.66206   -3.88386
C       6.96052    6.20274   -1.76836
C      -7.82454    2.26905    7.05836
C      -6.96052   -6.20274    1.76836
C       7.82454   -2.26905   -7.05836
C       5.73051    7.56498   -0.00881
C      -6.59452    3.63129    5.29880
C      -5.73051   -7.56498    0.00881
C       6.59452   -3.63129   -5.29880
C       5.82260    6.18312   -0.71474
C      -6.68662    2.24943    6.00473
C      -5.82260   -6.18312    0.71474
C       6.68662   -2.24943   -6.00473
C       4.44854    5.81596   -1.34699
C      -5.31256    1.88228    6.63698
C      -4.44854   -5.81596    1.34699
C       5.31256   -1.88228   -6.63698
C       2.03492    3.74396    0.78137
C      -2.89893   -0.18973    4.50863
C      -2.03492   -3.74396   -0.78137
C       2.89893    0.18973   -4.50863
C       2.62888    4.82483    0.11746
C      -3.49290    0.89114    5.17254
C      -2.62888   -4.82483   -0.11746
C       3.49290   -0.89114   -5.17254
C       2.58788    2.45284    0.68403
C      -3.45190   -1.48085    4.60597
C      -2.58788   -2.45284   -0.68403
C       3.45190    1.48085   -4.60597
C       3.75011    2.27225   -0.08411
C      -4.61413   -1.66144    5.37410
C      -3.75011   -2.27225    0.08411
C       4.61413    1.66144   -5.37410
C       3.78749    4.63787   -0.66222
C      -4.65151    0.70418    5.95221
C      -3.78749   -4.63787    0.66222
C       4.65151   -0.70418   -5.95221
C       4.34562    3.35130   -0.74983
C      -5.20964   -0.58239    6.03983
C      -4.34562   -3.35130    0.74983
C       5.20964    0.58239   -6.03983
H       1.24271   -1.59061   -0.15529
H      -2.10673   -5.52430    5.44528
H      -1.24271    1.59061    0.15529
H       2.10673    5.52430   -5.44528
H       0.15303    2.31427    2.06734
H      -1.01705   -1.61942    3.22266
H      -0.15303   -2.31427   -2.06734
H       1.01705    1.61942   -3.22266
H       0.56801    0.88187    3.03261
H      -1.43203   -3.05183    2.25738
H      -0.56801   -0.88187   -3.03261
H       1.43203    3.05183   -2.25738
H       1.50022    2.38083    3.22344
H      -2.36423   -1.55287    2.06655
H      -1.50022   -2.38083   -3.22344
H       2.36423    1.55287   -2.06655
H       2.50357    0.36239    1.13095
H      -3.36759   -3.57131    4.15904
H      -2.50357   -0.36239   -1.13095
H       3.36759    3.57131   -4.15904
H       7.89641    6.50384   -1.29425
H      -8.76043    2.57015    6.58425
H      -7.89641   -6.50384    1.29425
H       8.76043   -2.57015   -6.58425
H       7.09611    5.20951   -2.19371
H      -7.96012    1.27583    7.48371
H      -7.09611   -5.20951    2.19371
H       7.96012   -1.27583   -7.48371
H       6.72517    6.90620   -2.56553
H      -7.58919    2.97252    7.85552
H      -6.72517   -6.90620    2.56553
H       7.58919   -2.97252   -7.85552
H       4.95236    7.53579    0.75923
H      -5.81638    3.60209    4.53076
H      -4.95236   -7.53579   -0.75923
H       5.81638   -3.60209   -4.53076
H       6.68156    7.80228    0.46779
H      -7.54558    3.86859    4.82221
H      -6.68156   -7.80228   -0.46779
H       7.54558   -3.86859   -4.82221
H       5.48951    8.34204   -0.72696
H      -6.35353    4.40835    6.01696
H      -5.48951   -8.34204    0.72696
H       6.35353   -4.40835   -6.01696
H       5.67414    6.39384    0.34796
H      -6.53815    2.46015    4.94203
H      -5.67414   -6.39384   -0.34796
H       6.53815   -2.46015   -4.94203
H       5.10686    5.45510   -2.13890
H      -5.97088    1.52141    7.42889
H      -5.10686   -5.45510    2.13890
H       5.97088   -1.52141   -7.42889
H       3.66425    6.42238   -1.81579
H      -4.52827    2.48869    7.10578
H      -3.66425   -6.42238    1.81579
H       4.52827   -2.48869   -7.10578
H       1.17294    3.91068    1.35907
H      -2.03695   -0.02301    3.93093
H      -1.17294   -3.91068   -1.35907
H       2.03695    0.02301   -3.93093
H       2.20493    5.78218    0.20524
H      -3.06894    1.84848    5.08475
H      -2.20493   -5.78218   -0.20524
H       3.06894   -1.84848   -5.08475
H       4.18781    1.31826   -0.16358
H      -5.05183   -2.61543    5.45357
H      -4.18781   -1.31826    0.16358
H       5.05183    2.61543   -5.45357
H       5.21672    3.19340   -1.31378
H      -6.08073   -0.74029    6.60377
H      -5.21672   -3.19340    1.31378
H       6.08073    0.74029   -6.60377
O       0.45226    0.72836   -0.36962
O      -1.31627   -3.20533    5.65961
O      -0.45226   -0.72836    0.36962
O       1.31627    3.20533   -5.65961
O       1.64457   -0.97690    0.43316
O      -2.50858   -4.91059    4.85683
O      -1.64457    0.97690   -0.43316
O       2.50858    4.91059   -4.85683
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       1.17476    0.41660    0.43955
C      -2.03878   -3.51709    4.85044
C      -1.17476   -0.41660   -0.43955
C       2.03878    3.51709   -4.85044
C       1.10273    1.74337    2.60812
C      -1.96675   -2.19033    2.68187
C      -1.10273   -1.74337   -2.60812
C       1.96675    2.19033   -2.68187
C       1.96323    1.27164    1.40614
C      -2.82725   -2.66206    3.88386
C      -1.96323   -1.27164   -1.40614
C       2.82725    2.66206   -3.88386
C       6.96052    6.20274   -1.76836
C      -7.82454    2.26905    7.05836
C      -6.96052   -6.20274    1.76836
C       7.82454   -2.26905   -7.05836
C       5.73051    7.56498   -0.00881
C      -6.59452    3.63129    5.29880
C      -5.73051   -7.56498    0.00881
C       6.59452   -3.63129   -5.29880
C       5.82260    6.18312   -0.71474
C      -6.68662    2.24943    6.00473
C      -5.82260   -6.18312    0.71474
C       6.68662   -2.24943   -6.00473
C       4.44854    5.81596   -1.34699
C      -5.31256    1.88228    6.63698
C      -4.44854   -5.81596    1.34699
C       5.31256   -1.88228   -6.63698
C       2.03492    3.74396    0.78137
C      -2.89893   -0.18973    4.50863
C      -2.03492   -3.74396   -0.78137
C       2.89893    0.18973   -4.50863
C       2.62888    4.82483    0.11746
C      -3.49290    0.89114    5.17254
C      -2.62888   -4.82483   -0.11746
C       3.49290   -0.89114   -5.17254
C       2.58788    2.45284    0.68403
C      -3.45190   -1.48085    4.60597
C      -2.58788   -2.45284   -0.68403
C       3.45190    1.48085   -4.60597
C       3.75011    2.27225   -0.08411
C      -4.61413   -1.66144    5.37410
C      -3.75011   -2.27225    0.08411
C       4.61413    1.66144   -5.37410
C       3.78749    4.63787   -0.66222
C      -4.65151    0.70418    5.95221
C      -3.78749   -4.63787    0.66222
C       4.65151   -0.70418   -5.95221
C       4.34562    3.35130   -0.74983
C      -5.20964   -0.58239    6.03983
C      -4.34562   -3.35130    0.74983
C       5.20964    0.58239   -6.03983
H       0.95225   -1.47016   -0.20948
H      -1.81627   -5.40385    5.49947
H      -0.95225    1.47016    0.20948
H       1.81627    5.40385   -5.49947
H       0.27775    2.37277    2.27095
H      -1.14176   -1.56092    3.01904
H      -0.27775   -2.37277   -2.27095
H       1.14176    1.56092   -3.01904
H       0.69426    0.87554    3.13151
H      -1.55828   -3.05816    2.15848
H      -0.69426   -0.87554   -3.13151
H       1.55828    3.05816   -2.15848
H       1.72143    2.31335    3.30447
H      -2.58545   -1.62035    1.98553
H      -1.72143   -2.31335   -3.30447
H       2.58545    1.62035   -1.98553
H       2.50357    0.36239    1.13095
H      -3.36759   -3.57131    4.15904
H      -2.50357   -0.36239   -1.13095
H       3.36759    3.57131   -4.15904
H       7.89641    6.50384   -1.29425
H      -8.76043    2.57015    6.58425
H      -7.89641   -6.50384    1.29425
H       8.76043   -2.57015   -6.58425
H       7.09611    5.20951   -2.19371
H      -7.96012    1.27583    7.48371
H      -7.09611   -5.20951    2.19371
H       7.96012   -1.27583   -7.48371
H       6.72517    6.90620   -2.56553
H      -7.58919    2.97252    7.85552
H      -6.72517   -6.90620    2.56553
H       7.58919   -2.97252   -7.85552
H       4.95236    7.53579    0.75923
H      -5.81638    3.60209    4.53076
H      -4.95236   -7.53579   -0.75923
H       5.81638   -3.60209   -4.53076
H       6.68156    7.80228    0.46779
H      -7.54558    3.86859    4.82221
H      -6.68156   -7.80228   -0.46779
H       7.54558   -3.86859   -4.82221
H       5.48951    8.34204   -0.72696
H      -6.35353    4.40835    6.01696
H      -5.48951   -8.34204    0.72696
H       6.35353   -4.40835   -6.01696
H       5.67414    6.39384    0.34796
H      -6.53815    2.46015    4.94203
H      -5.67414   -6.39384   -0.34796
H       6.53815   -2.46015   -4.94203
H       5.10686    5.45510   -2.13890
H      -5.97088    1.52141    7.42889
H      -5.10686   -5.45510    2.13890
H       5.97088   -1.52141   -7.42889
H       3.66425    6.42238   -1.81579
H      -4.52827    2.48869    7.10578
H      -3.66425   -6.42238    1.81579
H       4.52827   -2.48869   -7.10578
H       1.17294    3.91068    1.35907
H      -2.03695   -0.02301    3.93093
H      -1.17294   -3.91068   -1.35907
H       2.03695    0.02301   -3.93093
H       2.20493    5.78218    0.20524
H      -3.06894    1.84848    5.08475
H      -2.20493   -5.78218   -0.20524
H       3.06894   -1.84848   -5.08475
H       4.18781    1.31826   -0.16358
H      -5.05183   -2.61543    5.45357
H      -4.18781   -1.31826    0.16358
H       5.05183    2.61543   -5.45357
H       5.21672    3.19340   -1.31378
H      -6.08073   -0.74029    6.60377
H      -5.21672   -3.19340    1.31378
H       6.08073    0.74029   -6.60377
O       0.27650    0.89418   -0.25039
O      -1.14052   -3.03951    5.54038
O      -0.27650   -0.89418    0.25039
O       1.14052    3.03951   -5.54038
O       1.43699   -0.90739    0.36734
O      -2.30101   -4.84108    4.92266
O      -1.43699    0.90739   -0.36734
O       2.30101    4.84108   -4.92266
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       1.24790    0.36940    0.42564
C      -2.11192   -3.56429    4.86436
C      -1.24790   -0.36940   -0.42564
C       2.11192    3.56429   -4.86436
C       1.03178    1.74691    2.55259
C      -1.89580   -2.18678    2.73740
C      -1.03178   -1.74691   -2.55259
C       1.89580    2.18678   -2.73740
C       1.96323    1.27164    1.40614
C      -2.82725   -2.66206    3.88386
C      -1.96323   -1.27164   -1.40614
C       2.82725    2.66206   -3.88386
C       6.96052    6.20274   -1.76836
C      -7.82454    2.26905    7.05836
C      -6.96052   -6.20274    1.76836
C       7.82454   -2.26905   -7.05836
C       5.73051    7.56498   -0.00881
C      -6.59452    3.63129    5.29880
C      -5.73051   -7.56498    0.00881
C       6.59452   -3.63129   -5.29880
C       5.82260    6.18312   -0.71474
C      -6.68662    2.24943    6.00473
C      -5.82260   -6.18312    0.71474
C       6.68662   -2.24943   -6.00473
C       4.44854    5.81596   -1.34699
C      -5.31256    1.88228    6.63698
C      -4.44854   -5.81596    1.34699
C       5.31256   -1.88228   -6.63698
C       2.03492    3.74396    0.78137
C      -2.89893   -0.18973    4.50863
C      -2.03492   -3.74396   -0.78137
C       2.89893    0.18973   -4.50863
C       2.62888    4.82483    0.11746
C      -3.49290    0.89114    5.17254
C      -2.62888   -4.82483   -0.11746
C       3.49290   -0.89114   -5.17254
C       2.58788    2.45284    0.68403
C      -3.45190   -1.48085    4.60597
C      -2.58788   -2.45284   -0.68403
C       3.45190    1.48085   -4.60597
C       3.75011    2.27225   -0.08411
C      -4.61413   -1.66144    5.37410
C      -3.75011   -2.27225    0.08411
C       4.61413    1.66144   -5.37410
C       3.78749    4.63787   -0.66222
C      -4.65151    0.70418    5.95221
C      -3.78749   -4.63787    0.66222
C       4.65151   -0.70418   -5.95221
C       4.34562    3.35130   -0.74983
C      -5.20964   -0.58239    6.03983
C      -4.34562   -3.35130    0.74983
C       5.20964    0.58239   -6.03983
H       1.11206   -1.53878   -0.18346
H      -1.97608   -5.47247    5.47346
H      -1.11206    1.53878    0.18346
H       1.97608    5.47247   -5.47346
H       0.20634    2.34253    2.15976
H      -1.07036   -1.59116    3.13024
H      -0.20634   -2.34253   -2.15976
H       1.07036    1.59116   -3.13024
H       0.62358    0.88044    3.07841
H      -1.48760   -3.05326    2.21158
H      -0.62358   -0.88044   -3.07841
H       1.48760    3.05326   -2.21158
H       1.59901    2.35247    3.26260
H      -2.46303   -1.58123    2.02739
H      -1.59901   -2.35247   -3.26260
H       2.46303    1.58123   -2.02739
H       2.50357    0.36239    1.13095
H      -3.36759   -3.57131    4.15904
H      -2.50357   -0.36239   -1.13095
H       3.36759    3.57131   -4.15904
H       7.89641    6.50384   -1.29425
H      -8.76043    2.57015    6.58425
H      -7.89641   -6.50384    1.29425
H       8.76043   -2.57015   -6.58425
H       7.09611    5.20951   -2.19371
H      -7.96012    1.27583    7.48371
H      -7.09611   -5.20951    2.19371
H       7.96012   -1.27583   -7.48371
H       6.72517    6.90620   -2.56553
H      -7.58919    2.97252    7.85552
H      -6.72517   -6.90620    2.56553
H       7.58919   -2.97252   -7.85552
H       4.95236    7.53579    0.75923
H      -5.81638    3.60209    4.53076
H      -4.95236   -7.53579   -0.75923
H       5.81638   -3.60209   -4.53076
H       6.68156    7.80228    0.46779
H      -7.54558    3.86859    4.82221
H      -6.68156   -7.80228   -0.46779
H       7.54558   -3.86859   -4.82221
H       5.48951    8.34204   -0.72696
H      -6.35353    4.40835    6.01696
H      -5.48951   -8.34204    0.72696
H       6.35353   -4.40835   -6.01696
H       5.67414    6.39384    0.34796
H      -6.53815    2.46015    4.94203
H      -5.67414   -6.39384   -0.34796
H       6.53815   -2.46015   -4.94203
H       5.10686    5.45510   -2.13890
H      -5.97088    1.52141    7.42889
H      -5.10686   -5.45510    2.13890
H       5.97088   -1.52141   -7.42889
H       3.66425    6.42238   -1.81579
H      -4.52827    2.48869    7.10578
H      -3.66425   -6.42238    1.81579
H       4.52827   -2.48869   -7.10578
H       1.17294    3.91068    1.35907
H      -2.03695   -0.02301    3.93093
H      -1.17294   -3.91068   -1.35907
H       2.03695    0.02301   -3.93093
H       2.20493    5.78218    0.20524
H      -3.06894    1.84848    5.08475
H      -2.20493   -5.78218   -0.20524
H       3.06894   -1.84848   -5.08475
H       4.18781    1.31826   -0.16358
H      -5.05183   -2.61543    5.45357
H      -4.18781   -1.31826    0.16358
H       5.05183    2.61543   -5.45357
H       5.21672    3.19340   -1.31378
H      -6.08073   -0.74029    6.60377
H      -5.21672   -3.19340    1.31378
H       6.08073    0.74029   -6.60377
O       0.37091    0.80231   -0.31896
O      -1.23493   -3.13138    5.60896
O      -0.37091   -0.80231    0.31896
O       1.23493    3.13138   -5.60896
O       1.55159   -0.94746    0.40096
O      -2.41560   -4.88115    4.88904
O      -1.55159    0.94746   -0.40096
O       2.41560    4.88115   -4.88904
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       1.24790    0.36940    0.42564
C      -2.11192   -3.56429    4.86436
C      -1.24790   -0.36940   -0.42564
C       2.11192    3.56429   -4.86436
C       1.03178    1.74691    2.55259
C      -1.89580   -2.18678    2.73740
C      -1.03178   -1.74691   -2.55259
C       1.89580    2.18678   -2.73740
C       1.96323    1.27164    1.40614
C      -2.82725   -2.66206    3.88386
C      -1.96323   -1.27164   -1.40614
C       2.82725    2.66206   -3.88386
C       6.96052    6.20274   -1.76836
C      -7.82454    2.26905    7.05836
C      -6.96052   -6.20274    1.76836
C       7.82454   -2.26905   -7.05836
C       5.73051    7.56498   -0.00881
C      -6.59452    3.63129    5.29880
C      -5.73051   -7.56498    0.00881
C       6.59452   -3.63129   -5.29880
C       5.82260    6.18312   -0.71474
C      -6.68662    2.24943    6.00473
C      -5.82260   -6.18312    0.71474
C       6.68662   -2.24943   -6.00473
C       4.44854    5.81596   -1.34699
C      -5.31256    1.88228    6.63698
C      -4.44854   -5.81596    1.34699
C       5.31256   -1.88228   -6.63698
C       2.03492    3.74396    0.78137
C      -2.89893   -0.18973    4.50863
C      -2.03492   -3.74396   -0.78137
C       2.89893    0.18973   -4.50863
C       2.62888    4.82483    0.11746
C      -3.49290    0.89114    5.17254
C      -2.62888   -4.82483   -0.11746
C       3.49290   -0.89114   -5.17254
C       2.58788    2.45284    0.68403
C      -3.45190   -1.48085    4.60597
C      -2.58788   -2.45284   -0.68403
C       3.45190    1.48085   -4.60597
C       3.75011    2.27225   -0.08411
C      -4.61413   -1.66144    5.37410
C      -3.75011   -2.27225    0.08411
C       4.61413    1.66144   -5.37410
C       3.78749    4.63787   -0.66222
C      -4.65151    0.70418    5.95221
C      -3.78749   -4.63787    0.66222
C       4.65151   -0.70418   -5.95221
C       4.34562    3.35130   -0.74983
C      -5.20964   -0.58239    6.03983
C      -4.34562   -3.35130    0.74983
C       5.20964    0.58239   -6.03983
H       1.18973   -1.51635   -0.26079
H      -2.05375   -5.45004    5.55079
H      -1.18973    1.51635    0.26079
H       2.05375    5.45004   -5.55079
H       0.20634    2.34253    2.15976
H      -1.07036   -1.59116    3.13024
H      -0.20634   -2.34253   -2.15976
H       1.07036    1.59116   -3.13024
H       0.62358    0.88044    3.07841
H      -1.48760   -3.05326    2.21158
H      -0.62358   -0.88044   -3.07841
H       1.48760    3.05326   -2.21158
H       1.59901    2.35247    3.26260
H      -2.46303   -1.58123    2.02739
H      -1.59901   -2.35247   -3.26260
H       2.46303    1.58123   -2.02739
H       2.50357    0.36239    1.13095
H      -3.36759   -3.57131    4.15904
H      -2.50357   -0.36239   -1.13095
H       3.36759    3.57131   -4.15904
H       7.89641    6.50384   -1.29425
H      -8.76043    2.57015    6.58425
H      -7.89641   -6.50384    1.29425
H       8.76043   -2.57015   -6.58425
H       7.09611    5.20951   -2.19371
H      -7.96012    1.27583    7.48371
H      -7.09611   -5.20951    2.19371
H       7.96012   -1.27583   -7.48371
H       6.72517    6.90620   -2.56553
H      -7.58919    2.97252    7.85552
H      -6.72517   -6.90620    2.56553
H       7.58919   -2.97252   -7.85552
H       4.95236    7.53579    0.75923
H      -5.81638    3.60209    4.53076
H      -4.95236   -7.53579   -0.75923
H       5.81638   -3.60209   -4.53076
H       6.68156    7.80228    0.46779
H      -7.54558    3.86859    4.82221
H      -6.68156   -7.80228   -0.46779
H       7.54558   -3.86859   -4.82221
H       5.48951    8.34204   -0.72696
H      -6.35353    4.40835    6.01696
H      -5.48951   -8.34204    0.72696
H       6.35353   -4.40835   -6.01696
H       5.67414    6.39384    0.34796
H      -6.53815    2.46015    4.94203
H      -5.67414   -6.39384   -0.34796
H       6.53815   -2.46015   -4.94203
H       5.10686    5.45510   -2.13890
H      -5.97088    1.52141    7.42889
H      -5.10686   -5.45510    2.13890
H       5.97088   -1.52141   -7.42889
H       3.66425    6.42238   -1.81579
H      -4.52827    2.48869    7.10578
H      -3.66425   -6.42238    1.81579
H       4.52827   -2.48869   -7.10578
H       1.17294    3.91068    1.35907
H      -2.03695   -0.02301    3.93093
H      -1.17294   -3.91068   -1.35907
H       2.03695    0.02301   -3.93093
H       2.20493    5.78218    0.20524
H      -3.06894    1.84848    5.08475
H      -2.20493   -5.78218   -0.20524
H       3.06894   -1.84848   -5.08475
H       4.18781    1.31826   -0.16358
H      -5.05183   -2.61543    5.45357
H      -4.18781   -1.31826    0.16358
H       5.05183    2.61543   -5.45357
H       5.21672    3.19340   -1.31378
H      -6.08073   -0.74029    6.60377
H      -5.21672   -3.19340    1.31378
H       6.08073    0.74029   -6.60377
O       0.30666    0.77897   -0.25064
O      -1.17068   -3.15472    5.54064
O      -0.30666   -0.77897    0.25064
O       1.17068    3.15472   -5.54064
O       1.62608   -0.92437    0.32534
O      -2.49010   -4.85806    4.96465
O      -1.62608    0.92437   -0.32534
O       2.49010    4.85806   -4.96465
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       1.24790    0.36940    0.42564
C      -2.11192   -3.56429    4.86436
C      -1.24790   -0.36940   -0.42564
C       2.11192    3.56429   -4.86436
C       1.03178    1.74691    2.55259
C      -1.89580   -2.18678    2.73740
C      -1.03178   -1.74691   -2.55259
C       1.89580    2.18678   -2.73740
C       1.96323    1.27164    1.40614
C      -2.82725   -2.66206    3.88386
C      -1.96323   -1.27164   -1.40614
C       2.82725    2.66206   -3.88386
C       6.95607    6.17905   -1.81338
C      -7.82008    2.24537    7.10338
C      -6.95607   -6.17905    1.81338
C       7.82008   -2.24537   -7.10338
C       5.77634    7.53547   -0.01531
C      -6.64036    3.60178    5.30530
C      -5.77634   -7.53547    0.01531
C       6.64036   -3.60178   -5.30530
C       5.83877    6.16058   -0.73789
C      -6.70278    2.22689    6.02788
C      -5.83877   -6.16058    0.73789
C       6.70278   -2.22689   -6.02788
C       4.44854    5.81596   -1.34699
C      -5.31256    1.88228    6.63698
C      -4.44854   -5.81596    1.34699
C       5.31256   -1.88228   -6.63698
C       2.03492    3.74396    0.78137
C      -2.89893   -0.18973    4.50863
C      -2.03492   -3.74396   -0.78137
C       2.89893    0.18973   -4.50863
C       2.62888    4.82483    0.11746
C      -3.49290    0.89114    5.17254
C      -2.62888   -4.82483   -0.11746
C       3.49290   -0.89114   -5.17254
C       2.58788    2.45284    0.68403
C      -3.45190   -1.48085    4.60597
C      -2.58788   -2.45284   -0.68403
C       3.45190    1.48085   -4.60597
C       3.75011    2.27225   -0.08411
C      -4.61413   -1.66144    5.37410
C      -3.75011   -2.27225    0.08411
C       4.61413    1.66144   -5.37410
C       3.78749    4.63787   -0.66222
C      -4.65151    0.70418    5.95221
C      -3.78749   -4.63787    0.66222
C       4.65151   -0.70418   -5.95221
C       4.34562    3.35130   -0.74983
C      -5.20964   -0.58239    6.03983
C      -4.34562   -3.35130    0.74983
C       5.20964    0.58239   -6.03983
H       1.18973   -1.51635   -0.26079
H      -2.05375   -5.45004    5.55079
H      -1.18973    1.51635    0.26079
H       2.05375    5.45004   -5.55079
H       0.20634    2.34253    2.15976
H      -1.07036   -1.59116    3.13024
H      -0.20634   -2.34253   -2.15976
H       1.07036    1.59116   -3.13024
H       0.62358    0.88044    3.07841
H      -1.48760   -3.05326    2.21158
H      -0.62358   -0.88044   -3.07841
H       1.48760    3.05326   -2.21158
H       1.59901    2.35247    3.26260
H      -2.46303   -1.58123    2.02739
H      -1.59901   -2.35247   -3.26260
H       2.46303    1.58123   -2.02739
H       2.50357    0.36239    1.13095
H      -3.36759   -3.57131    4.15904
H      -2.50357   -0.36239   -1.13095
H       3.36759    3.57131   -4.15904
H       7.90442    6.46431   -1.35450
H      -8.76844    2.53062    6.64449
H      -7.90442   -6.46431    1.35450
H       8.76844   -2.53062   -6.64449
H       7.07191    5.18914   -2.25209
H      -7.93592    1.25546    7.54208
H      -7.07191   -5.18914    2.25209
H       7.93592   -1.25546   -7.54208
H       6.71330    6.89393   -2.59808
H      -7.57732    2.96025    7.88807
H      -6.71330   -6.89393    2.59808
H       7.57732   -2.96025   -7.88807
H       5.01304    7.50653    0.76751
H      -5.87706    3.57283    4.52249
H      -5.01304   -7.50653   -0.76751
H       5.87706   -3.57283   -4.52249
H       6.73917    7.75673    0.44507
H      -7.60319    3.82304    4.84492
H      -6.73917   -7.75673   -0.44507
H       7.60319   -3.82304   -4.84492
H       5.53032    8.32311   -0.72009
H      -6.39434    4.38942    6.01009
H      -5.53032   -8.32311    0.72009
H       6.39434   -4.38942   -6.01009
H       5.71349    6.36115    0.32975
H      -6.57751    2.42746    4.96024
H      -5.71349   -6.36115   -0.32975
H       6.57751   -2.42746   -4.96024
H       5.10686    5.45510   -2.13890
H      -5.97088    1.52141    7.42889
H      -5.10686   -5.45510    2.13890
H       5.97088   -1.52141   -7.42889
H       3.66425    6.42238   -1.81579
H      -4.52827    2.48869    7.10578
H      -3.66425   -6.42238    1.81579
H       4.52827   -2.48869   -7.10578
H       1.17294    3.91068    1.35907
H      -2.03695   -0.02301    3.93093
H      -1.17294   -3.91068   -1.35907
H       2.03695    0.02301   -3.93093
H       2.20493    5.78218    0.20524
H      -3.06894    1.84848    5.08475
H      -2.20493   -5.78218   -0.20524
H       3.06894   -1.84848   -5.08475
H       4.18781    1.31826   -0.16358
H      -5.05183   -2.61543    5.45357
H      -4.18781   -1.31826    0.16358
H       5.05183    2.61543   -5.45357
H       5.21672    3.19340   -1.31378
H      -6.08073   -0.74029    6.60377
H      -5.21672   -3.19340    1.31378
H       6.08073    0.74029   -6.60377
O       0.30666    0.77897   -0.25064
O      -1.17068   -3.15472    5.54064
O      -0.30666   -0.77897    0.25064
O       1.17068    3.15472   -5.54064
O       1.62608   -0.92437    0.32534
O      -2.49010   -4.85806    4.96465
O      -1.62608    0.92437   -0.32534
O       2.49010    4.85806   -4.96465
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.91349    0.27318   -0.40800
C      -6.77751   -3.66051    5.69799
C      -5.91349   -0.27318    0.40800
C       6.77751    3.66051   -5.69799
C       6.25586    1.69434   -2.48918
C      -7.11987   -2.23935    7.77917
C      -6.25586   -1.69434    2.48918
C       7.11987    2.23935   -7.77917
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.41170    6.28087    1.82505
C      -1.27572    2.34717    3.46495
C      -0.41170   -6.28087   -1.82505
C       1.27572   -2.34717   -3.46495
C       1.70542    7.62765    0.09960
C      -2.56944    3.69396    5.19040
C      -1.70542   -7.62765   -0.09960
C       2.56944   -3.69396   -5.19040
C       1.55873    6.23871    0.78199
C      -2.42274    2.30501    4.50800
C      -1.55873   -6.23871   -0.78199
C       2.42274   -2.30501   -4.50800
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       5.86500   -1.63055    0.22769
H      -6.72902   -5.56424    5.06230
H      -5.86500    1.63055   -0.22769
H       6.72902    5.56424   -5.06230
H       7.09546    2.24054   -2.05655
H      -7.95947   -1.69314    7.34654
H      -7.09546   -2.24054    2.05655
H       7.95947    1.69314   -7.34654
H       6.63969    0.82390   -3.02669
H      -7.50370   -3.10978    8.31668
H      -6.63969   -0.82390    3.02669
H       7.50370    3.10978   -8.31668
H       5.73837    2.34393   -3.19826
H      -6.60238   -1.58976    8.48826
H      -5.73837   -2.34393    3.19826
H       6.60238    1.58976   -8.48826
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.50848    6.62172    1.34712
H      -0.35554    2.68802    3.94287
H       0.50848   -6.62172   -1.34712
H       0.35554   -2.68802   -3.94287
H       0.23774    5.28626    2.23285
H      -1.10176    1.35257    3.05715
H      -0.23774   -5.28626   -2.23285
H       1.10176   -1.35257   -3.05715
H       0.66320    6.96294    2.63576
H      -1.52721    3.02925    2.65424
H      -0.66320   -6.96294   -2.63576
H       1.52721   -3.02925   -2.65424
H       2.48972    7.58381   -0.66146
H      -3.35374    3.65012    5.95146
H      -2.48972   -7.58381    0.66146
H       3.35374   -3.65012   -5.95146
H       0.76791    7.90531   -0.38200
H      -1.63193    3.97162    5.67199
H      -0.76791   -7.90531    0.38200
H       1.63193   -3.97162   -5.67199
H       1.96588    8.38433    0.83256
H      -2.82989    4.45063    4.45743
H      -1.96588   -8.38433   -0.83256
H       2.82989   -4.45063   -4.45743
H       1.72495    6.46111   -0.27569
H      -2.58897    2.52742    5.56568
H      -1.72495   -6.46111    0.27569
H       2.58897   -2.52742   -5.56568
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       6.85174    0.62081    0.30605
O      -7.71575   -3.31288    4.98394
O      -6.85174   -0.62081   -0.30605
O       7.71575    3.31288   -4.98394
O       5.47386   -1.00383   -0.35423
O      -6.33788   -4.93752    5.64423
O      -5.47386    1.00383    0.35423
O       6.33788    4.93752   -5.64423
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.91349    0.27318   -0.40800
C      -6.77751   -3.66051    5.69799
C      -5.91349   -0.27318    0.40800
C       6.77751    3.66051   -5.69799
C       6.25586    1.69434   -2.48918
C      -7.11987   -2.23935    7.77917
C      -6.25586   -1.69434    2.48918
C       7.11987    2.23935   -7.77917
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.41170    6.28087    1.82505
C      -1.27572    2.34717    3.46495
C      -0.41170   -6.28087   -1.82505
C       1.27572   -2.34717   -3.46495
C       1.70542    7.62765    0.09960
C      -2.56944    3.69396    5.19040
C      -1.70542   -7.62765   -0.09960
C       2.56944   -3.69396   -5.19040
C       1.55873    6.23871    0.78199
C      -2.42274    2.30501    4.50800
C      -1.55873   -6.23871   -0.78199
C       2.42274   -2.30501   -4.50800
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       5.90649   -1.64435    0.18670
H      -6.77051   -5.57804    5.10329
H      -5.90649    1.64435   -0.18670
H       6.77051    5.57804   -5.10329
H       7.09546    2.24054   -2.05655
H      -7.95947   -1.69314    7.34654
H      -7.09546   -2.24054    2.05655
H       7.95947    1.69314   -7.34654
H       6.63969    0.82390   -3.02669
H      -7.50370   -3.10978    8.31668
H      -6.63969   -0.82390    3.02669
H       7.50370    3.10978   -8.31668
H       5.73837    2.34393   -3.19826
H      -6.60238   -1.58976    8.48826
H      -5.73837   -2.34393    3.19826
H       6.60238    1.58976   -8.48826
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.50848    6.62172    1.34712
H      -0.35554    2.68802    3.94287
H       0.50848   -6.62172   -1.34712
H       0.35554   -2.68802   -3.94287
H       0.23774    5.28626    2.23285
H      -1.10176    1.35257    3.05715
H      -0.23774   -5.28626   -2.23285
H       1.10176   -1.35257   -3.05715
H       0.66320    6.96294    2.63576
H      -1.52721    3.02925    2.65424
H      -0.66320   -6.96294   -2.63576
H       1.52721   -3.02925   -2.65424
H       2.48972    7.58381   -0.66146
H      -3.35374    3.65012    5.95146
H      -2.48972   -7.58381    0.66146
H       3.35374   -3.65012   -5.95146
H       0.76791    7.90531   -0.38200
H      -1.63193    3.97162    5.67199
H      -0.76791   -7.90531    0.38200
H       1.63193   -3.97162   -5.67199
H       1.96588    8.38433    0.83256
H      -2.82989    4.45063    4.45743
H      -1.96588   -8.38433   -0.83256
H       2.82989   -4.45063   -4.45743
H       1.72495    6.46111   -0.27569
H      -2.58897    2.52742    5.56568
H      -1.72495   -6.46111    0.27569
H       2.58897   -2.52742   -5.56568
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       6.81749    0.63475    0.34233
O      -7.68151   -3.29894    4.94766
O      -6.81749   -0.63475   -0.34233
O       7.68151    3.29894   -4.94766
O       5.51362   -1.01789   -0.39433
O      -6.37764   -4.95158    5.68433
O      -5.51362    1.01789    0.39433
O       6.37764    4.95158   -5.68433
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.08676    0.37906   -0.43985
C      -6.95077   -3.55463    5.72985
C      -6.08676   -0.37906    0.43985
C       6.95077    3.55463   -5.72985
C       6.09002    1.69172   -2.61818
C      -6.95404   -2.24196    7.90817
C      -6.09002   -1.69172    2.61818
C       6.95404    2.24196   -7.90817
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.41170    6.28087    1.82505
C      -1.27572    2.34717    3.46495
C      -0.41170   -6.28087   -1.82505
C       1.27572   -2.34717   -3.46495
C       1.70542    7.62765    0.09960
C      -2.56944    3.69396    5.19040
C      -1.70542   -7.62765   -0.09960
C       2.56944   -3.69396   -5.19040
C       1.55873    6.23871    0.78199
C      -2.42274    2.30501    4.50800
C      -1.55873   -6.23871   -0.78199
C       2.42274   -2.30501   -4.50800
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       6.28672   -1.49524    0.25129
H      -7.15074   -5.42893    5.03871
H      -6.28672    1.49524   -0.25129
H       7.15074    5.42893   -5.03871
H       6.93024    2.31801   -2.31449
H      -7.79425   -1.61568    7.60449
H      -6.93024   -2.31801    2.31449
H       7.79425    1.61568   -7.60449
H       6.47441    0.81807   -3.15005
H      -7.33842   -3.11561    8.44004
H      -6.47441   -0.81807    3.15005
H       7.33842    3.11561   -8.44004
H       5.45052    2.26122   -3.29588
H      -6.31454   -1.67246    8.58587
H      -5.45052   -2.26122    3.29588
H       6.31454    1.67246   -8.58587
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.50848    6.62172    1.34712
H      -0.35554    2.68802    3.94287
H       0.50848   -6.62172   -1.34712
H       0.35554   -2.68802   -3.94287
H       0.23774    5.28626    2.23285
H      -1.10176    1.35257    3.05715
H      -0.23774   -5.28626   -2.23285
H       1.10176   -1.35257   -3.05715
H       0.66320    6.96294    2.63576
H      -1.52721    3.02925    2.65424
H      -0.66320   -6.96294   -2.63576
H       1.52721   -3.02925   -2.65424
H       2.48972    7.58381   -0.66146
H      -3.35374    3.65012    5.95146
H      -2.48972   -7.58381    0.66146
H       3.35374   -3.65012   -5.95146
H       0.76791    7.90531   -0.38200
H      -1.63193    3.97162    5.67199
H      -0.76791   -7.90531    0.38200
H       1.63193   -3.97162   -5.67199
H       1.96588    8.38433    0.83256
H      -2.82989    4.45063    4.45743
H      -1.96588   -8.38433   -0.83256
H       2.82989   -4.45063   -4.45743
H       1.72495    6.46111   -0.27569
H      -2.58897    2.52742    5.56568
H      -1.72495   -6.46111    0.27569
H       2.58897   -2.52742   -5.56568
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       7.03973    0.84495    0.18122
O      -7.90375   -3.08874    5.10877
O      -7.03973   -0.84495   -0.18122
O       7.90375    3.08874   -5.10877
O       5.78669   -0.93270   -0.31256
O      -6.65071   -4.86639    5.60255
O      -5.78669    0.93270    0.31256
O       6.65071    4.86639   -5.60255
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.08676    0.37906   -0.43985
C      -6.95077   -3.55463    5.72985
C      -6.08676   -0.37906    0.43985
C       6.95077    3.55463   -5.72985
C       6.09002    1.69172   -2.61818
C      -6.95404   -2.24196    7.90817
C      -6.09002   -1.69172    2.61818
C       6.95404    2.24196   -7.90817
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.43211    6.18321    2.00988
C      -1.29613    2.24952    3.28011
C      -0.43211   -6.18321   -2.00988
C       1.29613   -2.24952   -3.28011
C       1.51529    7.50941    0.13034
C      -2.37931    3.57572    5.15965
C      -1.51529   -7.50941   -0.13034
C       2.37931   -3.57572   -5.15965
C       1.49251    6.14711    0.87866
C      -2.35653    2.21342    4.41133
C      -1.49251   -6.14711   -0.87866
C       2.35653   -2.21342   -4.41133
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       6.28672   -1.49524    0.25129
H      -7.15074   -5.42893    5.03871
H      -6.28672    1.49524   -0.25129
H       7.15074    5.42893   -5.03871
H       6.93024    2.31801   -2.31449
H      -7.79425   -1.61568    7.60449
H      -6.93024   -2.31801    2.31449
H       7.79425    1.61568   -7.60449
H       6.47441    0.81807   -3.15005
H      -7.33842   -3.11561    8.44004
H      -6.47441   -0.81807    3.15005
H       7.33842    3.11561   -8.44004
H       5.45052    2.26122   -3.29588
H      -6.31454   -1.67246    8.58587
H      -5.45052   -2.26122    3.29588
H       6.31454    1.67246   -8.58587
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.53912    6.45976    1.59569
H      -0.32490    2.52607    3.69431
H       0.53912   -6.45976   -1.59569
H       0.32490   -2.52607   -3.69431
H       0.34071    5.20091    2.47089
H      -1.20472    1.26722    2.81910
H      -0.34071   -5.20091   -2.47089
H       1.20472   -1.26722   -2.81910
H       0.71380    6.91170    2.76863
H      -1.57782    2.97800    2.52137
H      -0.71380   -6.91170   -2.76863
H       1.57782   -2.97800   -2.52137
H       2.23726    7.46760   -0.69018
H      -3.10128    3.53391    5.98018
H      -2.23726   -7.46760    0.69018
H       3.10128   -3.53391   -5.98018
H       0.52963    7.72194   -0.28349
H      -1.39365    3.78825    5.57349
H      -0.52963   -7.72194    0.28349
H       1.39365   -3.78825   -5.57349
H       1.79598    8.30927    0.80789
H      -2.66000    4.37558    4.48210
H      -1.79598   -8.30927   -0.80789
H       2.66000   -4.37558   -4.48210
H       1.56224    6.32937   -0.19730
H      -2.42626    2.39568    5.48729
H      -1.56224   -6.32937    0.19730
H       2.42626   -2.39568   -5.48729
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       7.03973    0.84495    0.18122
O      -7.90375   -3.08874    5.10877
O      -7.03973   -0.84495   -0.18122
O       7.90375    3.08874   -5.10877
O       5.78669   -0.93270   -0.31256
O      -6.65071   -4.86639    5.60255
O      -5.78669    0.93270    0.31256
O       6.65071    4.86639   -5.60255
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.08676    0.37906   -0.43985
C      -6.95077   -3.55463    5.72985
C      -6.08676   -0.37906    0.43985
C       6.95077    3.55463   -5.72985
C       6.09002    1.69172   -2.61818
C      -6.95404   -2.24196    7.90817
C      -6.09002   -1.69172    2.61818
C       6.95404    2.24196   -7.90817
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.42751    6.15764    2.00612
C      -1.29153    2.22394    3.28387
C      -0.42751   -6.15764   -2.00612
C       1.29153   -2.22394   -3.28387
C       1.50942    7.52182    0.15322
C      -2.37344    3.58812    5.13677
C      -1.50942   -7.52182   -0.15322
C       2.37344   -3.58812   -5.13677
C       1.49251    6.14711    0.87866
C      -2.35653    2.21342    4.41133
C      -1.49251   -6.14711   -0.87866
C       2.35653   -2.21342   -4.41133
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       6.28672   -1.49524    0.25129
H      -7.15074   -5.42893    5.03871
H      -6.28672    1.49524   -0.25129
H       7.15074    5.42893   -5.03871
H       6.93024    2.31801   -2.31449
H      -7.79425   -1.61568    7.60449
H      -6.93024   -2.31801    2.31449
H       7.79425    1.61568   -7.60449
H       6.47441    0.81807   -3.15005
H      -7.33842   -3.11561    8.44004
H      -6.47441   -0.81807    3.15005
H       7.33842    3.11561   -8.44004
H       5.45052    2.26122   -3.29588
H      -6.31454   -1.67246    8.58587
H      -5.45052   -2.26122    3.29588
H       6.31454    1.67246   -8.58587
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.54386    6.43490    1.59275
H      -0.32015    2.50121    3.69725
H       0.54386   -6.43490   -1.59275
H       0.32015   -2.50121   -3.69725
H       0.34061    5.16723    2.45035
H      -1.20463    1.23353    2.83965
H      -0.34061   -5.16723   -2.45035
H       1.20463   -1.23353   -2.83965
H       0.70161    6.87514    2.77800
H      -1.56563    2.94144    2.51200
H      -0.70161   -6.87514   -2.77800
H       1.56563   -2.94144   -2.51200
H       2.23481    7.49826   -0.66502
H      -3.09883    3.56457    5.95502
H      -2.23481   -7.49826    0.66502
H       3.09883   -3.56457   -5.95502
H       0.52403    7.73497   -0.26092
H      -1.38805    3.80128    5.55091
H      -0.52403   -7.73497    0.26092
H       1.38805   -3.80128   -5.55091
H       1.78239    8.31203    0.84510
H      -2.64640    4.37834    4.44490
H      -1.78239   -8.31203   -0.84510
H       2.64640   -4.37834   -4.44490
H       1.56224    6.32937   -0.19730
H      -2.42626    2.39568    5.48729
H      -1.56224   -6.32937    0.19730
H       2.42626   -2.39568   -5.48729
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       7.03973    0.84495    0.18122
O      -7.90375   -3.08874    5.10877
O      -7.03973   -0.84495   -0.18122
O       7.90375    3.08874   -5.10877
O       5.78669   -0.93270   -0.31256
O      -6.65071   -4.86639    5.60255
O      -5.78669    0.93270    0.31256
O       6.65071    4.86639   -5.60255
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.08098    0.37527   -0.43834
C      -6.94500   -3.55842    5.72833
C      -6.08098   -0.37527    0.43834
C       6.94500    3.55842   -5.72833
C       6.09590    1.69213   -2.61408
C      -6.95991   -2.24156    7.90408
C      -6.09590   -1.69213    2.61408
C       6.95991    2.24156   -7.90408
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.42751    6.15764    2.00612
C      -1.29153    2.22394    3.28387
C      -0.42751   -6.15764   -2.00612
C       1.29153   -2.22394   -3.28387
C       1.50942    7.52182    0.15322
C      -2.37344    3.58812    5.13677
C      -1.50942   -7.52182   -0.15322
C       2.37344   -3.58812   -5.13677
C       1.49251    6.14711    0.87866
C      -2.35653    2.21342    4.41133
C      -1.49251   -6.14711   -0.87866
C       2.35653   -2.21342   -4.41133
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       6.27373   -1.50083    0.24994
H      -7.13775   -5.43452    5.04006
H      -6.27373    1.50083   -0.24994
H       7.13775    5.43452   -5.04006
H       6.93643    2.31580   -2.30591
H      -7.80044   -1.61789    7.59591
H      -6.93643   -2.31580    2.30591
H       7.80044    1.61789   -7.59591
H       6.48025    0.81858   -3.14615
H      -7.34427   -3.11511    8.43614
H      -6.48025   -0.81858    3.14615
H       7.34427    3.11511   -8.43614
H       5.46042    2.26448   -3.29316
H      -6.32444   -1.66920    8.58315
H      -5.46042   -2.26448    3.29316
H       6.32444    1.66920   -8.58315
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.54386    6.43490    1.59275
H      -0.32015    2.50121    3.69725
H       0.54386   -6.43490   -1.59275
H       0.32015   -2.50121   -3.69725
H       0.34061    5.16723    2.45035
H      -1.20463    1.23353    2.83965
H      -0.34061   -5.16723   -2.45035
H       1.20463   -1.23353   -2.83965
H       0.70161    6.87514    2.77800
H      -1.56563    2.94144    2.51200
H      -0.70161   -6.87514   -2.77800
H       1.56563   -2.94144   -2.51200
H       2.23481    7.49826   -0.66502
H      -3.09883    3.56457    5.95502
H      -2.23481   -7.49826    0.66502
H       3.09883   -3.56457   -5.95502
H       0.52403    7.73497   -0.26092
H      -1.38805    3.80128    5.55091
H      -0.52403   -7.73497    0.26092
H       1.38805   -3.80128   -5.55091
H       1.78239    8.31203    0.84510
H      -2.64640    4.37834    4.44490
H      -1.78239   -8.31203   -0.84510
H       2.64640   -4.37834   -4.44490
H       1.56224    6.32937   -0.19730
H      -2.42626    2.39568    5.48729
H      -1.56224   -6.32937    0.19730
H       2.42626   -2.39568   -5.48729
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       7.03264    0.83766    0.18735
O      -7.89666   -3.09603    5.10265
O      -7.03264   -0.83766   -0.18735
O       7.89666    3.09603   -5.10265
O       5.77727   -0.93601   -0.31476
O      -6.64128   -4.86970    5.60475
O      -5.77727    0.93601    0.31476
O       6.64128    4.86970   -5.60475
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.08098    0.37527   -0.43834
C      -6.94500   -3.55842    5.72833
C      -6.08098   -0.37527    0.43834
C       6.94500    3.55842   -5.72833
C       6.09590    1.69213   -2.61408
C      -6.95991   -2.24156    7.90408
C      -6.09590   -1.69213    2.61408
C       6.95991    2.24156   -7.90408
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.42062    6.11727    1.99927
C      -1.28464    2.18357    3.29073
C      -0.42062   -6.11727   -1.99927
C       1.28464   -2.18357   -3.29073
C       1.49983    7.54058    0.18977
C      -2.36384    3.60689    5.10022
C      -1.49983   -7.54058   -0.18977
C       2.36384   -3.60689   -5.10022
C       1.49251    6.14711    0.87866
C      -2.35653    2.21342    4.41133
C      -1.49251   -6.14711   -0.87866
C       2.35653   -2.21342   -4.41133
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       6.27373   -1.50083    0.24994
H      -7.13775   -5.43452    5.04006
H      -6.27373    1.50083   -0.24994
H       7.13775    5.43452   -5.04006
H       6.93643    2.31580   -2.30591
H      -7.80044   -1.61789    7.59591
H      -6.93643   -2.31580    2.30591
H       7.80044    1.61789   -7.59591
H       6.48025    0.81858   -3.14615
H      -7.34427   -3.11511    8.43614
H      -6.48025   -0.81858    3.14615
H       7.34427    3.11511   -8.43614
H       5.46042    2.26448   -3.29316
H      -6.32444   -1.66920    8.58315
H      -5.46042   -2.26448    3.29316
H       6.32444    1.66920   -8.58315
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.55100    6.39563    1.58721
H      -0.31302    2.46194    3.70278
H       0.55100   -6.39563   -1.58721
H       0.31302   -2.46194   -3.70278
H       0.34109    5.11466    2.41672
H      -1.20511    1.18097    2.87327
H      -0.34109   -5.11466   -2.41672
H       1.20511   -1.18097   -2.87327
H       0.68276    6.81685    2.79147
H      -1.54677    2.88316    2.49852
H      -0.68276   -6.81685   -2.79147
H       1.54677   -2.88316   -2.49852
H       2.23035    7.54586   -0.62422
H      -3.09436    3.61217    5.91421
H      -2.23035   -7.54586    0.62422
H       3.09436   -3.61217   -5.91421
H       0.51484    7.75474   -0.22482
H      -1.37886    3.82105    5.51482
H      -0.51484   -7.75474    0.22482
H       1.37886   -3.82105   -5.51482
H       1.76057    8.31495    0.90391
H      -2.62459    4.38126    4.38608
H      -1.76057   -8.31495   -0.90391
H       2.62459   -4.38126   -4.38608
H       1.56224    6.32937   -0.19730
H      -2.42626    2.39568    5.48729
H      -1.56224   -6.32937    0.19730
H       2.42626   -2.39568   -5.48729
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       7.03264    0.83766    0.18735
O      -7.89666   -3.09603    5.10265
O      -7.03264   -0.83766   -0.18735
O       7.89666    3.09603   -5.10265
O       5.77727   -0.93601   -0.31476
O      -6.64128   -4.86970    5.60475
O      -5.77727    0.93601    0.31476
O       6.64128    4.86970   -5.60475
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.08098    0.37527   -0.43834
C      -6.94500   -3.55842    5.72833
C      -6.08098   -0.37527    0.43834
C       6.94500    3.55842   -5.72833
C       6.09590    1.69213   -2.61408
C      -6.95991   -2.24156    7.90408
C      -6.09590   -1.69213    2.61408
C       6.95991    2.24156   -7.90408
C       5.26976    1.23297   -1.38346
C      -6.13378   -2.70072    6.67345
C      -5.26976   -1.23297    1.38346
C       6.13378    2.70072   -6.67345
C       0.42062    6.11727    1.99927
C      -1.28464    2.18357    3.29073
C      -0.42062   -6.11727   -1.99927
C       1.28464   -2.18357   -3.29073
C       1.49983    7.54058    0.18977
C      -2.36384    3.60689    5.10022
C      -1.49983   -7.54058   -0.18977
C       2.36384   -3.60689   -5.10022
C       1.49251    6.14711    0.87866
C      -2.35653    2.21342    4.41133
C      -1.49251   -6.14711   -0.87866
C       2.35653   -2.21342   -4.41133
C       2.91291    5.81415    1.42107
C      -3.77692    1.88046    3.86892
C      -2.91291   -5.81415   -1.42107
C       3.77692   -1.88046   -3.86892
C       5.29222    3.68877   -0.69324
C      -6.15624   -0.24492    5.98323
C      -5.29222   -3.68877    0.69324
C       6.15624    0.24492   -5.98323
C       4.72854    4.77830   -0.01719
C      -5.59255    0.84461    5.30719
C      -4.72854   -4.77830    0.01719
C       5.59255   -0.84461   -5.30719
C       4.67827    2.42259   -0.64738
C      -5.54229   -1.51109    5.93737
C      -4.67827   -2.42259    0.64738
C       5.54229    1.51109   -5.93737
C       3.48652    2.27610    0.08179
C      -4.35053   -1.65759    5.20820
C      -3.48652   -2.27610   -0.08179
C       4.35053    1.65759   -5.20820
C       3.53976    4.62497    0.72344
C      -4.40378    0.69128    4.56656
C      -3.53976   -4.62497   -0.72344
C       4.40378   -0.69128   -4.56656
C       2.92116    3.36383    0.75956
C      -3.78517   -0.56986    4.53044
C      -2.92116   -3.36383   -0.75956
C       3.78517    0.56986   -4.53044
H       6.24160   -1.48960    0.28768
H      -7.10562   -5.42329    5.00232
H      -6.24160    1.48960   -0.28768
H       7.10562    5.42329   -5.00232
H       6.93643    2.31580   -2.30591
H      -7.80044   -1.61789    7.59591
H      -6.93643   -2.31580    2.30591
H       7.80044    1.61789   -7.59591
H       6.48025    0.81858   -3.14615
H      -7.34427   -3.11511    8.43614
H      -6.48025   -0.81858    3.14615
H       7.34427    3.11511   -8.43614
H       5.46042    2.26448   -3.29316
H      -6.32444   -1.66920    8.58315
H      -5.46042   -2.26448    3.29316
H       6.32444    1.66920   -8.58315
H       4.68051    0.34288   -1.14903
H      -5.54453   -3.59081    6.43902
H      -4.68051   -0.34288    1.14903
H       5.54453    3.59081   -6.43902
H      -0.55100    6.39563    1.58721
H      -0.31302    2.46194    3.70278
H       0.55100   -6.39563   -1.58721
H       0.31302   -2.46194   -3.70278
H       0.34109    5.11466    2.41672
H      -1.20511    1.18097    2.87327
H      -0.34109   -5.11466   -2.41672
H       1.20511   -1.18097   -2.87327
H       0.68276    6.81685    2.79147
H      -1.54677    2.88316    2.49852
H      -0.68276   -6.81685   -2.79147
H       1.54677   -2.88316   -2.49852
H       2.23035    7.54586   -0.62422
H      -3.09436    3.61217    5.91421
H      -2.23035   -7.54586    0.62422
H       3.09436   -3.61217   -5.91421
H       0.51484    7.75474   -0.22482
H      -1.37886    3.82105    5.51482
H      -0.51484   -7.75474    0.22482
H       1.37886   -3.82105   -5.51482
H       1.76057    8.31495    0.90391
H      -2.62459    4.38126    4.38608
H      -1.76057   -8.31495   -0.90391
H       2.62459   -4.38126   -4.38608
H       1.56224    6.32937   -0.19730
H      -2.42626    2.39568    5.48729
H      -1.56224   -6.32937    0.19730
H       2.42626   -2.39568   -5.48729
H       2.21537    5.46363    2.18352
H      -3.07939    1.52993    3.10647
H      -2.21537   -5.46363   -2.18352
H       3.07939   -1.52993   -3.10647
H       3.70963    6.37105    1.92872
H      -4.57365    2.43736    3.36128
H      -3.70963   -6.37105   -1.92872
H       4.57365   -2.43736   -3.36128
H       6.17783    3.83037   -1.24113
H      -7.04185   -0.10332    6.53113
H      -6.17783   -3.83037    1.24113
H       7.04185    0.10332   -6.53113
H       5.19816    5.71691   -0.06639
H      -6.06217    1.78322    5.35639
H      -5.19816   -5.71691    0.06639
H       6.06217   -1.78322   -5.35639
H       3.00358    1.34168    0.12238
H      -3.86760   -2.59201    5.16761
H      -3.00358   -1.34168   -0.12238
H       3.86760    2.59201   -5.16761
H       2.02726    3.23181    1.29368
H      -2.89128   -0.70188    3.99631
H      -2.02726   -3.23181   -1.29368
H       2.89128    0.70188   -3.99631
O       7.05897    0.82612    0.15424
O      -7.92298   -3.10757    5.13575
O      -7.05897   -0.82612   -0.15424
O       7.92298    3.10757   -5.13575
O       5.74650   -0.92449   -0.27793
O      -6.61052   -4.85818    5.56793
O      -5.74650    0.92449    0.27793
O       6.61052    4.85818   -5.56793
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.89669    0.25117   -0.41689
C      -6.76071   -3.68252    5.70689
C      -5.89669   -0.25117    0.41689
C       6.76071    3.68252   -5.70689
C       6.01748    1.57448   -2.58541
C      -6.88150   -2.35921    7.87541
C      -6.01748   -1.57448    2.58541
C       6.88150    2.35921   -7.87541
C       5.14804    1.15509   -1.37053
C      -6.01205   -2.77860    6.66052
C      -5.14804   -1.15509    1.37053
C       6.01205    2.77860   -6.66052
C       0.51290    6.27802    1.95880
C      -1.37691    2.34433    3.33119
C      -0.51290   -6.27802   -1.95880
C       1.37691   -2.34433   -3.33119
C       1.69604    7.64904    0.17408
C      -2.56006    3.71535    5.11592
C      -1.69604   -7.64904   -0.17408
C       2.56006   -3.71535   -5.11592
C       1.60294    6.25508    0.85568
C      -2.46696    2.32139    4.43431
C      -1.60294   -6.25508   -0.85568
C       2.46696   -2.32139   -4.43431
C       2.99446    5.84418    1.41909
C      -3.85848    1.91049    3.87091
C      -2.99446   -5.84418   -1.41909
C       3.85848   -1.91049   -3.87091
C       5.29068    3.60323   -0.66759
C      -6.15470   -0.33046    5.95758
C      -5.29068   -3.60323    0.66759
C       6.15470    0.33046   -5.95758
C       4.77520    4.71856    0.00486
C      -5.63922    0.78487    5.28514
C      -4.77520   -4.71856   -0.00486
C       5.63922   -0.78487   -5.28514
C       4.60917    2.37160   -0.63799
C      -5.47319   -1.56208    5.92799
C      -4.60917   -2.37160    0.63799
C       5.47319    1.56208   -5.92799
C       3.39958    2.28614    0.07124
C      -4.26360   -1.64755    5.21876
C      -3.39958   -2.28614   -0.07124
C       4.26360    1.64755   -5.21876
C       3.56803    4.62606    0.72556
C      -4.43205    0.69236    4.56443
C      -3.56803   -4.62606   -0.72556
C       4.43205   -0.69236   -4.56443
C       2.88230    3.39975    0.74537
C      -3.74632   -0.53394    4.54463
C      -2.88230   -3.39975   -0.74537
C       3.74632    0.53394   -4.54463
H       5.94543   -1.62266    0.30214
H      -6.80944   -5.55635    4.98786
H      -5.94543    1.62266   -0.30214
H       6.80944    5.55635   -4.98786
H       6.88506    2.15089   -2.26065
H      -7.74908   -1.78279    7.55065
H      -6.88506   -2.15089    2.26065
H       7.74908    1.78279   -7.55065
H       6.36313    0.68382   -3.11567
H      -7.22715   -3.24986    8.40567
H      -6.36313   -0.68382    3.11567
H       7.22715    3.24986   -8.40567
H       5.42469    2.18292   -3.27167
H      -6.28871   -1.75076    8.56167
H      -5.42469   -2.18292    3.27167
H       6.28871    1.75076   -8.56167
H       4.50825    0.29689   -1.15008
H      -5.37227   -3.63680    6.44008
H      -4.50825   -0.29689    1.15008
H       5.37227    3.63680   -6.44008
H      -0.43560    6.60980    1.53265
H      -0.42842    2.67611    3.75734
H       0.43560   -6.60980   -1.53265
H       0.42842   -2.67611   -3.75734
H       0.37303    5.27938    2.36984
H      -1.23705    1.34568    2.92016
H      -0.37303   -5.27938   -2.36984
H       1.23705   -1.34568   -2.92016
H       0.79918    6.95922    2.75864
H      -1.66320    3.02552    2.53135
H      -0.79918   -6.95922   -2.75864
H       1.66320   -3.02552   -2.53135
H       2.43895    7.61858   -0.62807
H      -3.30296    3.68489    5.91806
H      -2.43895   -7.61858    0.62807
H       3.30296   -3.68489   -5.91806
H       0.73081    7.91743   -0.25516
H      -1.59483    3.98374    5.54515
H      -0.73081   -7.91743    0.25516
H       1.59483   -3.98374   -5.54515
H       1.98621    8.40531    0.89622
H      -2.85023    4.47162    4.39378
H      -1.98621   -8.40531   -0.89622
H       2.85023   -4.47162   -4.39378
H       1.69983    6.43787   -0.21808
H      -2.56385    2.50418    5.50808
H      -1.69983   -6.43787    0.21808
H       2.56385   -2.50418   -5.50808
H       2.26685    5.52835    2.16847
H      -3.13087    1.59466    3.12152
H      -2.26685   -5.52835   -2.16847
H       3.13087   -1.59466   -3.12152
H       3.81149    6.35543    1.94225
H      -4.67551    2.42174    3.34775
H      -3.81149   -6.35543   -1.94225
H       4.67551   -2.42174   -3.34775
H       6.19140    3.69946   -1.20050
H      -7.05542   -0.23423    6.49049
H      -6.19140   -3.69946    1.20050
H       7.05542    0.23423   -6.49049
H       5.29513    5.63084   -0.03205
H      -6.15915    1.69715    5.32205
H      -5.29513   -5.63084    0.03205
H       6.15915   -1.69715   -5.32205
H       2.86672    1.37879    0.09935
H      -3.73074   -2.55490    5.19065
H      -2.86672   -1.37879   -0.09935
H       3.73074    2.55490   -5.19065
H       1.97405    3.31359    1.26443
H      -2.83806   -0.62010    4.02557
H      -1.97405   -3.31359   -1.26443
H       2.83806    0.62010   -4.02557
O       6.88764    0.64645    0.19356
O      -7.75166   -3.28724    5.09643
O      -6.88764   -0.64645   -0.19356
O       7.75166    3.28724   -5.09643
O       5.49055   -1.02945   -0.26846
O      -6.35457   -4.96314    5.55846
O      -5.49055    1.02945    0.26846
O       6.35457    4.96314   -5.55846
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.89669    0.25117   -0.41689
C      -6.76071   -3.68252    5.70689
C      -5.89669   -0.25117    0.41689
C       6.76071    3.68252   -5.70689
C       6.01748    1.57448   -2.58541
C      -6.88150   -2.35921    7.87541
C      -6.01748   -1.57448    2.58541
C       6.88150    2.35921   -7.87541
C       5.14804    1.15509   -1.37053
C      -6.01205   -2.77860    6.66052
C      -5.14804   -1.15509    1.37053
C       6.01205    2.77860   -6.66052
C       0.51290    6.27802    1.95880
C      -1.37691    2.34433    3.33119
C      -0.51290   -6.27802   -1.95880
C       1.37691   -2.34433   -3.33119
C       1.69604    7.64904    0.17408
C      -2.56006    3.71535    5.11592
C      -1.69604   -7.64904   -0.17408
C       2.56006   -3.71535   -5.11592
C       1.60294    6.25508    0.85568
C      -2.46696    2.32139    4.43431
C      -1.60294   -6.25508   -0.85568
C       2.46696   -2.32139   -4.43431
C       2.99446    5.84418    1.41909
C      -3.85848    1.91049    3.87091
C      -2.99446   -5.84418   -1.41909
C       3.85848   -1.91049   -3.87091
C       5.29068    3.60323   -0.66759
C      -6.15470   -0.33046    5.95758
C      -5.29068   -3.60323    0.66759
C       6.15470    0.33046   -5.95758
C       4.77520    4.71856    0.00486
C      -5.63922    0.78487    5.28514
C      -4.77520   -4.71856   -0.00486
C       5.63922   -0.78487   -5.28514
C       4.60917    2.37160   -0.63799
C      -5.47319   -1.56208    5.92799
C      -4.60917   -2.37160    0.63799
C       5.47319    1.56208   -5.92799
C       3.39958    2.28614    0.07124
C      -4.26360   -1.64755    5.21876
C      -3.39958   -2.28614   -0.07124
C       4.26360    1.64755   -5.21876
C       3.56803    4.62606    0.72556
C      -4.43205    0.69236    4.56443
C      -3.56803   -4.62606   -0.72556
C       4.43205   -0.69236   -4.56443
C       2.88230    3.39975    0.74537
C      -3.74632   -0.53394    4.54463
C      -2.88230   -3.39975   -0.74537
C       3.74632    0.53394   -4.54463
H       6.17460   -1.67624    0.07140
H      -7.03862   -5.60994    5.21859
H      -6.17460    1.67624   -0.07140
H       7.03862    5.60994   -5.21859
H       6.88506    2.15089   -2.26065
H      -7.74908   -1.78279    7.55065
H      -6.88506   -2.15089    2.26065
H       7.74908    1.78279   -7.55065
H       6.36313    0.68382   -3.11567
H      -7.22715   -3.24986    8.40567
H      -6.36313   -0.68382    3.11567
H       7.22715    3.24986   -8.40567
H       5.42469    2.18292   -3.27167
H      -6.28871   -1.75076    8.56167
H      -5.42469   -2.18292    3.27167
H       6.28871    1.75076   -8.56167
H       4.50825    0.29689   -1.15008
H      -5.37227   -3.63680    6.44008
H      -4.50825   -0.29689    1.15008
H       5.37227    3.63680   -6.44008
H      -0.43560    6.60980    1.53265
H      -0.42842    2.67611    3.75734
H       0.43560   -6.60980   -1.53265
H       0.42842   -2.67611   -3.75734
H       0.37303    5.27938    2.36984
H      -1.23705    1.34568    2.92016
H      -0.37303   -5.27938   -2.36984
H       1.23705   -1.34568   -2.92016
H       0.79918    6.95922    2.75864
H      -1.66320    3.02552    2.53135
H      -0.79918   -6.95922   -2.75864
H       1.66320   -3.02552   -2.53135
H       2.43895    7.61858   -0.62807
H      -3.30296    3.68489    5.91806
H      -2.43895   -7.61858    0.62807
H       3.30296   -3.68489   -5.91806
H       0.73081    7.91743   -0.25516
H      -1.59483    3.98374    5.54515
H      -0.73081   -7.91743    0.25516
H       1.59483   -3.98374   -5.54515
H       1.98621    8.40531    0.89622
H      -2.85023    4.47162    4.39378
H      -1.98621   -8.40531   -0.89622
H       2.85023   -4.47162   -4.39378
H       1.69983    6.43787   -0.21808
H      -2.56385    2.50418    5.50808
H      -1.69983   -6.43787    0.21808
H       2.56385   -2.50418   -5.50808
H       2.26685    5.52835    2.16847
H      -3.13087    1.59466    3.12152
H      -2.26685   -5.52835   -2.16847
H       3.13087   -1.59466   -3.12152
H       3.81149    6.35543    1.94225
H      -4.67551    2.42174    3.34775
H      -3.81149   -6.35543   -1.94225
H       4.67551   -2.42174   -3.34775
H       6.19140    3.69946   -1.20050
H      -7.05542   -0.23423    6.49049
H      -6.19140   -3.69946    1.20050
H       7.05542    0.23423   -6.49049
H       5.29513    5.63084   -0.03205
H      -6.15915    1.69715    5.32205
H      -5.29513   -5.63084    0.03205
H       6.15915   -1.69715   -5.32205
H       2.86672    1.37879    0.09935
H      -3.73074   -2.55490    5.19065
H      -2.86672   -1.37879   -0.09935
H       3.73074    2.55490   -5.19065
H       1.97405    3.31359    1.26443
H      -2.83806   -0.62010    4.02557
H      -1.97405   -3.31359   -1.26443
H       2.83806    0.62010   -4.02557
O       6.69786    0.70456    0.39759
O      -7.56188   -3.22913    4.89240
O      -6.69786   -0.70456   -0.39759
O       7.56188    3.22913   -4.89240
O       5.71048   -1.08537   -0.49415
O      -6.57450   -5.01906    5.78415
O      -5.71048    1.08537    0.49415
O       6.57450    5.01906   -5.78415
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.89669    0.25117   -0.41689
C      -6.76071   -3.68252    5.70689
C      -5.89669   -0.25117    0.41689
C       6.76071    3.68252   -5.70689
C       6.01748    1.57448   -2.58541
C      -6.88150   -2.35921    7.87541
C      -6.01748   -1.57448    2.58541
C       6.88150    2.35921   -7.87541
C       5.14804    1.15509   -1.37053
C      -6.01205   -2.77860    6.66052
C      -5.14804   -1.15509    1.37053
C       6.01205    2.77860   -6.66052
C       0.53804    6.38645    1.97569
C      -1.40205    2.45276    3.31431
C      -0.53804   -6.38645   -1.97569
C       1.40205   -2.45276   -3.31431
C       1.71966    7.59489    0.07615
C      -2.58368    3.66120    5.21384
C      -1.71966   -7.59489   -0.07615
C       2.58368   -3.66120   -5.21384
C       1.60294    6.25508    0.85568
C      -2.46696    2.32139    4.43431
C      -1.60294   -6.25508   -0.85568
C       2.46696   -2.32139   -4.43431
C       2.99446    5.84418    1.41909
C      -3.85848    1.91049    3.87091
C      -2.99446   -5.84418   -1.41909
C       3.85848   -1.91049   -3.87091
C       5.29068    3.60323   -0.66759
C      -6.15470   -0.33046    5.95758
C      -5.29068   -3.60323    0.66759
C       6.15470    0.33046   -5.95758
C       4.77520    4.71856    0.00486
C      -5.63922    0.78487    5.28514
C      -4.77520   -4.71856   -0.00486
C       5.63922   -0.78487   -5.28514
C       4.60917    2.37160   -0.63799
C      -5.47319   -1.56208    5.92799
C      -4.60917   -2.37160    0.63799
C       5.47319    1.56208   -5.92799
C       3.39958    2.28614    0.07124
C      -4.26360   -1.64755    5.21876
C      -3.39958   -2.28614   -0.07124
C       4.26360    1.64755   -5.21876
C       3.56803    4.62606    0.72556
C      -4.43205    0.69236    4.56443
C      -3.56803   -4.62606   -0.72556
C       4.43205   -0.69236   -4.56443
C       2.88230    3.39975    0.74537
C      -3.74632   -0.53394    4.54463
C      -2.88230   -3.39975   -0.74537
C       3.74632    0.53394   -4.54463
H       6.17460   -1.67624    0.07140
H      -7.03862   -5.60994    5.21859
H      -6.17460    1.67624   -0.07140
H       7.03862    5.60994   -5.21859
H       6.88506    2.15089   -2.26065
H      -7.74908   -1.78279    7.55065
H      -6.88506   -2.15089    2.26065
H       7.74908    1.78279   -7.55065
H       6.36313    0.68382   -3.11567
H      -7.22715   -3.24986    8.40567
H      -6.36313   -0.68382    3.11567
H       7.22715    3.24986   -8.40567
H       5.42469    2.18292   -3.27167
H      -6.28871   -1.75076    8.56167
H      -5.42469   -2.18292    3.27167
H       6.28871    1.75076   -8.56167
H       4.50825    0.29689   -1.15008
H      -5.37227   -3.63680    6.44008
H      -4.50825   -0.29689    1.15008
H       5.37227    3.63680   -6.44008
H      -0.40994    6.71515    1.54602
H      -0.45408    2.78146    3.74397
H       0.40994   -6.71515   -1.54602
H       0.45408   -2.78146   -3.74397
H       0.37959    5.42335    2.45852
H      -1.24361    1.48965    2.83147
H      -0.37959   -5.42335   -2.45852
H       1.24361   -1.48965   -2.83147
H       0.86025    7.11310    2.71992
H      -1.72427    3.17940    2.57007
H      -0.86025   -7.11310   -2.71992
H       1.72427   -3.17940   -2.57007
H       2.44391    7.48706   -0.73633
H      -3.30792    3.55337    6.02632
H      -2.44391   -7.48706    0.73633
H       3.30792   -3.55337   -6.02632
H       0.75314    7.86065   -0.35181
H      -1.61716    3.92696    5.64181
H      -0.75314   -7.86065    0.35181
H       1.61716   -3.92696   -5.64181
H       2.04615    8.39087    0.73754
H      -2.91017    4.45718    4.55245
H      -2.04615   -8.39087   -0.73754
H       2.91017   -4.45718   -4.55245
H       1.69983    6.43787   -0.21808
H      -2.56385    2.50418    5.50808
H      -1.69983   -6.43787    0.21808
H       2.56385   -2.50418   -5.50808
H       2.26685    5.52835    2.16847
H      -3.13087    1.59466    3.12152
H      -2.26685   -5.52835   -2.16847
H       3.13087   -1.59466   -3.12152
H       3.81149    6.35543    1.94225
H      -4.67551    2.42174    3.34775
H      -3.81149   -6.35543   -1.94225
H       4.67551   -2.42174   -3.34775
H       6.19140    3.69946   -1.20050
H      -7.05542   -0.23423    6.49049
H      -6.19140   -3.69946    1.20050
H       7.05542    0.23423   -6.49049
H       5.29513    5.63084   -0.03205
H      -6.15915    1.69715    5.32205
H      -5.29513   -5.63084    0.03205
H       6.15915   -1.69715   -5.32205
H       2.86672    1.37879    0.09935
H      -3.73074   -2.55490    5.19065
H      -2.86672   -1.37879   -0.09935
H       3.73074    2.55490   -5.19065
H       1.97405    3.31359    1.26443
H      -2.83806   -0.62010    4.02557
H      -1.97405   -3.31359   -1.26443
H       2.83806    0.62010   -4.02557
O       6.69786    0.70456    0.39759
O      -7.56188   -3.22913    4.89240
O      -6.69786   -0.70456   -0.39759
O       7.56188    3.22913   -4.89240
O       5.71048   -1.08537   -0.49415
O      -6.57450   -5.01906    5.78415
O      -5.71048    1.08537    0.49415
O       6.57450    5.01906   -5.78415
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.89669    0.25117   -0.41689
C      -6.76071   -3.68252    5.70689
C      -5.89669   -0.25117    0.41689
C       6.76071    3.68252   -5.70689
C       6.01748    1.57448   -2.58541
C      -6.88150   -2.35921    7.87541
C      -6.01748   -1.57448    2.58541
C       6.88150    2.35921   -7.87541
C       5.14804    1.15509   -1.37053
C      -6.01205   -2.77860    6.66052
C      -5.14804   -1.15509    1.37053
C       6.01205    2.77860   -6.66052
C       0.53164    6.42253    1.90707
C      -1.39566    2.48883    3.38292
C      -0.53164   -6.42253   -1.90707
C       1.39566   -2.48883   -3.38292
C       1.79330    7.63676    0.06353
C      -2.65732    3.70307    5.22646
C      -1.79330   -7.63676   -0.06353
C       2.65732   -3.70307   -5.22646
C       1.62869    6.28817    0.81889
C      -2.49270    2.35448    4.47110
C      -1.62869   -6.28817   -0.81889
C       2.49270   -2.35448   -4.47110
C       2.99446    5.84418    1.41909
C      -3.85848    1.91049    3.87091
C      -2.99446   -5.84418   -1.41909
C       3.85848   -1.91049   -3.87091
C       5.29068    3.60323   -0.66759
C      -6.15470   -0.33046    5.95758
C      -5.29068   -3.60323    0.66759
C       6.15470    0.33046   -5.95758
C       4.77520    4.71856    0.00486
C      -5.63922    0.78487    5.28514
C      -4.77520   -4.71856   -0.00486
C       5.63922   -0.78487   -5.28514
C       4.60917    2.37160   -0.63799
C      -5.47319   -1.56208    5.92799
C      -4.60917   -2.37160    0.63799
C       5.47319    1.56208   -5.92799
C       3.39958    2.28614    0.07124
C      -4.26360   -1.64755    5.21876
C      -3.39958   -2.28614   -0.07124
C       4.26360    1.64755   -5.21876
C       3.56803    4.62606    0.72556
C      -4.43205    0.69236    4.56443
C      -3.56803   -4.62606   -0.72556
C       4.43205   -0.69236   -4.56443
C       2.88230    3.39975    0.74537
C      -3.74632   -0.53394    4.54463
C      -2.88230   -3.39975   -0.74537
C       3.74632    0.53394   -4.54463
H       6.17460   -1.67624    0.07140
H      -7.03862   -5.60994    5.21859
H      -6.17460    1.67624   -0.07140
H       7.03862    5.60994   -5.21859
H       6.88506    2.15089   -2.26065
H      -7.74908   -1.78279    7.55065
H      -6.88506   -2.15089    2.26065
H       7.74908    1.78279   -7.55065
H       6.36313    0.68382   -3.11567
H      -7.22715   -3.24986    8.40567
H      -6.36313   -0.68382    3.11567
H       7.22715    3.24986   -8.40567
H       5.42469    2.18292   -3.27167
H      -6.28871   -1.75076    8.56167
H      -5.42469   -2.18292    3.27167
H       6.28871    1.75076   -8.56167
H       4.50825    0.29689   -1.15008
H      -5.37227   -3.63680    6.44008
H      -4.50825   -0.29689    1.15008
H       5.37227    3.63680   -6.44008
H      -0.39647    6.77441    1.45310
H      -0.46754    2.84072    3.83689
H       0.39647   -6.77441   -1.45310
H       0.46754   -2.84072   -3.83689
H       0.34125    5.45557    2.37026
H      -1.20527    1.52187    2.91973
H      -0.34125   -5.45557   -2.37026
H       1.20527   -1.52187   -2.91973
H       0.84306    7.13244    2.67178
H      -1.70708    3.19874    2.61821
H      -0.84306   -7.13244   -2.67178
H       1.70708   -3.19874   -2.61821
H       2.54067    7.52764   -0.72754
H      -3.40469    3.59396    6.01754
H      -2.54067   -7.52764    0.72754
H       3.40469   -3.59396   -6.01754
H       0.84550    7.92604   -0.39025
H      -1.70951    3.99235    5.68025
H      -0.84550   -7.92604    0.39025
H       1.70951   -3.99235   -5.68025
H       2.11281    8.41711    0.74662
H      -2.97682    4.48342    4.54338
H      -2.11281   -8.41711   -0.74662
H       2.97682   -4.48342   -4.54338
H       1.76240    6.48466   -0.24848
H      -2.62642    2.55097    5.53847
H      -1.76240   -6.48466    0.24848
H       2.62642   -2.55097   -5.53847
H       2.26685    5.52835    2.16847
H      -3.13087    1.59466    3.12152
H      -2.26685   -5.52835   -2.16847
H       3.13087   -1.59466   -3.12152
H       3.81149    6.35543    1.94225
H      -4.67551    2.42174    3.34775
H      -3.81149   -6.35543   -1.94225
H       4.67551   -2.42174   -3.34775
H       6.19140    3.69946   -1.20050
H      -7.05542   -0.23423    6.49049
H      -6.19140   -3.69946    1.20050
H       7.05542    0.23423   -6.49049
H       5.29513    5.63084   -0.03205
H      -6.15915    1.69715    5.32205
H      -5.29513   -5.63084    0.03205
H       6.15915   -1.69715   -5.32205
H       2.86672    1.37879    0.09935
H      -3.73074   -2.55490    5.19065
H      -2.86672   -1.37879   -0.09935
H       3.73074    2.55490   -5.19065
H       1.97405    3.31359    1.26443
H      -2.83806   -0.62010    4.02557
H      -1.97405   -3.31359   -1.26443
H       2.83806    0.62010   -4.02557
O       6.69786    0.70456    0.39759
O      -7.56188   -3.22913    4.89240
O      -6.69786   -0.70456   -0.39759
O       7.56188    3.22913   -4.89240
O       5.71048   -1.08537   -0.49415
O      -6.57450   -5.01906    5.78415
O      -5.71048    1.08537    0.49415
O       6.57450    5.01906   -5.78415
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.89669    0.25117   -0.41689
C      -6.76071   -3.68252    5.70689
C      -5.89669   -0.25117    0.41689
C       6.76071    3.68252   -5.70689
C       6.01748    1.57448   -2.58541
C      -6.88150   -2.35921    7.87541
C      -6.01748   -1.57448    2.58541
C       6.88150    2.35921   -7.87541
C       5.14804    1.15509   -1.37053
C      -6.01205   -2.77860    6.66052
C      -5.14804   -1.15509    1.37053
C       6.01205    2.77860   -6.66052
C       0.53586    6.43857    1.90926
C      -1.39988    2.50488    3.38074
C      -0.53586   -6.43857   -1.90926
C       1.39988   -2.50488   -3.38074
C       1.79677    7.62823    0.04925
C      -2.66079    3.69454    5.24075
C      -1.79677   -7.62823   -0.04925
C       2.66079   -3.69454   -5.24075
C       1.62869    6.28817    0.81889
C      -2.49270    2.35448    4.47110
C      -1.62869   -6.28817   -0.81889
C       2.49270   -2.35448   -4.47110
C       2.99446    5.84418    1.41909
C      -3.85848    1.91049    3.87091
C      -2.99446   -5.84418   -1.41909
C       3.85848   -1.91049   -3.87091
C       5.29068    3.60323   -0.66759
C      -6.15470   -0.33046    5.95758
C      -5.29068   -3.60323    0.66759
C       6.15470    0.33046   -5.95758
C       4.77520    4.71856    0.00486
C      -5.63922    0.78487    5.28514
C      -4.77520   -4.71856   -0.00486
C       5.63922   -0.78487   -5.28514
C       4.60917    2.37160   -0.63799
C      -5.47319   -1.56208    5.92799
C      -4.60917   -2.37160    0.63799
C       5.47319    1.56208   -5.92799
C       3.39958    2.28614    0.07124
C      -4.26360   -1.64755    5.21876
C      -3.39958   -2.28614   -0.07124
C       4.26360    1.64755   -5.21876
C       3.56803    4.62606    0.72556
C      -4.43205    0.69236    4.56443
C      -3.56803   -4.62606   -0.72556
C       4.43205   -0.69236   -4.56443
C       2.88230    3.39975    0.74537
C      -3.74632   -0.53394    4.54463
C      -2.88230   -3.39975   -0.74537
C       3.74632    0.53394   -4.54463
H       6.17460   -1.67624    0.07140
H      -7.03862   -5.60994    5.21859
H      -6.17460    1.67624   -0.07140
H       7.03862    5.60994   -5.21859
H       6.88506    2.15089   -2.26065
H      -7.74908   -1.78279    7.55065
H      -6.88506   -2.15089    2.26065
H       7.74908    1.78279   -7.55065
H       6.36313    0.68382   -3.11567
H      -7.22715   -3.24986    8.40567
H      -6.36313   -0.68382    3.11567
H       7.22715    3.24986   -8.40567
H       5.42469    2.18292   -3.27167
H      -6.28871   -1.75076    8.56167
H      -5.42469   -2.18292    3.27167
H       6.28871    1.75076   -8.56167
H       4.50825    0.29689   -1.15008
H      -5.37227   -3.63680    6.44008
H      -4.50825   -0.29689    1.15008
H       5.37227    3.63680   -6.44008
H      -0.39219    6.78999    1.45478
H      -0.47183    2.85629    3.83522
H       0.39219   -6.78999   -1.45478
H       0.47183   -2.85629   -3.83522
H       0.34269    5.47726    2.38293
H      -1.20671    1.54356    2.90706
H      -0.34269   -5.47726   -2.38293
H       1.20671   -1.54356   -2.90706
H       0.85300    7.15484    2.66563
H      -1.71702    3.22114    2.62436
H      -0.85300   -7.15484   -2.66563
H       1.71702   -3.22114   -2.62436
H       2.54100    7.50767   -0.74313
H      -3.40501    3.57398    6.03313
H      -2.54100   -7.50767    0.74313
H       3.40501   -3.57398   -6.03313
H       0.84876    7.91712   -0.40434
H      -1.71277    3.98343    5.69434
H      -0.84876   -7.91712    0.40434
H       1.71277   -3.98343   -5.69434
H       2.12204    8.41406    0.72326
H      -2.98606    4.48037    4.56674
H      -2.12204   -8.41406   -0.72326
H       2.98606   -4.48037   -4.56674
H       1.76240    6.48466   -0.24848
H      -2.62642    2.55097    5.53847
H      -1.76240   -6.48466    0.24848
H       2.62642   -2.55097   -5.53847
H       2.26685    5.52835    2.16847
H      -3.13087    1.59466    3.12152
H      -2.26685   -5.52835   -2.16847
H       3.13087   -1.59466   -3.12152
H       3.81149    6.35543    1.94225
H      -4.67551    2.42174    3.34775
H      -3.81149   -6.35543   -1.94225
H       4.67551   -2.42174   -3.34775
H       6.19140    3.69946   -1.20050
H      -7.05542   -0.23423    6.49049
H      -6.19140   -3.69946    1.20050
H       7.05542    0.23423   -6.49049
H       5.29513    5.63084   -0.03205
H      -6.15915    1.69715    5.32205
H      -5.29513   -5.63084    0.03205
H       6.15915   -1.69715   -5.32205
H       2.86672    1.37879    0.09935
H      -3.73074   -2.55490    5.19065
H      -2.86672   -1.37879   -0.09935
H       3.73074    2.55490   -5.19065
H       1.97405    3.31359    1.26443
H      -2.83806   -0.62010    4.02557
H      -1.97405   -3.31359   -1.26443
H       2.83806    0.62010   -4.02557
O       6.69786    0.70456    0.39759
O      -7.56188   -3.22913    4.89240
O      -6.69786   -0.70456   -0.39759
O       7.56188    3.22913   -4.89240
O       5.71048   -1.08537   -0.49415
O      -6.57450   -5.01906    5.78415
O      -5.71048    1.08537    0.49415
O       6.57450    5.01906   -5.78415
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.89669    0.25117   -0.41689
C      -6.76071   -3.68252    5.70689
C      -5.89669   -0.25117    0.41689
C       6.76071    3.68252   -5.70689
C       6.01748    1.57448   -2.58541
C      -6.88150   -2.35921    7.87541
C      -6.01748   -1.57448    2.58541
C       6.88150    2.35921   -7.87541
C       5.14804    1.15509   -1.37053
C      -6.01205   -2.77860    6.66052
C      -5.14804   -1.15509    1.37053
C       6.01205    2.77860   -6.66052
C       0.53586    6.43857    1.90926
C      -1.39988    2.50488    3.38074
C      -0.53586   -6.43857   -1.90926
C       1.39988   -2.50488   -3.38074
C       1.79677    7.62823    0.04925
C      -2.66079    3.69454    5.24075
C      -1.79677   -7.62823   -0.04925
C       2.66079   -3.69454   -5.24075
C       1.62869    6.28817    0.81889
C      -2.49270    2.35448    4.47110
C      -1.62869   -6.28817   -0.81889
C       2.49270   -2.35448   -4.47110
C       2.99446    5.84418    1.41909
C      -3.85848    1.91049    3.87091
C      -2.99446   -5.84418   -1.41909
C       3.85848   -1.91049   -3.87091
C       5.29068    3.60323   -0.66759
C      -6.15470   -0.33046    5.95758
C      -5.29068   -3.60323    0.66759
C       6.15470    0.33046   -5.95758
C       4.77520    4.71856    0.00486
C      -5.63922    0.78487    5.28514
C      -4.77520   -4.71856   -0.00486
C       5.63922   -0.78487   -5.28514
C       4.60917    2.37160   -0.63799
C      -5.47319   -1.56208    5.92799
C      -4.60917   -2.37160    0.63799
C       5.47319    1.56208   -5.92799
C       3.39958    2.28614    0.07124
C      -4.26360   -1.64755    5.21876
C      -3.39958   -2.28614   -0.07124
C       4.26360    1.64755   -5.21876
C       3.56803    4.62606    0.72556
C      -4.43205    0.69236    4.56443
C      -3.56803   -4.62606   -0.72556
C       4.43205   -0.69236   -4.56443
C       2.88230    3.39975    0.74537
C      -3.74632   -0.53394    4.54463
C      -2.88230   -3.39975   -0.74537
C       3.74632    0.53394   -4.54463
H       6.07251   -1.66230    0.16473
H      -6.93653   -5.59599    5.12526
H      -6.07251    1.66230   -0.16473
H       6.93653    5.59599   -5.12526
H       6.88506    2.15089   -2.26065
H      -7.74908   -1.78279    7.55065
H      -6.88506   -2.15089    2.26065
H       7.74908    1.78279   -7.55065
H       6.36313    0.68382   -3.11567
H      -7.22715   -3.24986    8.40567
H      -6.36313   -0.68382    3.11567
H       7.22715    3.24986   -8.40567
H       5.42469    2.18292   -3.27167
H      -6.28871   -1.75076    8.56167
H      -5.42469   -2.18292    3.27167
H       6.28871    1.75076   -8.56167
H       4.50825    0.29689   -1.15008
H      -5.37227   -3.63680    6.44008
H      -4.50825   -0.29689    1.15008
H       5.37227    3.63680   -6.44008
H      -0.39219    6.78999    1.45478
H      -0.47183    2.85629    3.83522
H       0.39219   -6.78999   -1.45478
H       0.47183   -2.85629   -3.83522
H       0.34269    5.47726    2.38293
H      -1.20671    1.54356    2.90706
H      -0.34269   -5.47726   -2.38293
H       1.20671   -1.54356   -2.90706
H       0.85300    7.15484    2.66563
H      -1.71702    3.22114    2.62436
H      -0.85300   -7.15484   -2.66563
H       1.71702   -3.22114   -2.62436
H       2.54100    7.50767   -0.74313
H      -3.40501    3.57398    6.03313
H      -2.54100   -7.50767    0.74313
H       3.40501   -3.57398   -6.03313
H       0.84876    7.91712   -0.40434
H      -1.71277    3.98343    5.69434
H      -0.84876   -7.91712    0.40434
H       1.71277   -3.98343   -5.69434
H       2.12204    8.41406    0.72326
H      -2.98606    4.48037    4.56674
H      -2.12204   -8.41406   -0.72326
H       2.98606   -4.48037   -4.56674
H       1.76240    6.48466   -0.24848
H      -2.62642    2.55097    5.53847
H      -1.76240   -6.48466    0.24848
H       2.62642   -2.55097   -5.53847
H       2.26685    5.52835    2.16847
H      -3.13087    1.59466    3.12152
H      -2.26685   -5.52835   -2.16847
H       3.13087   -1.59466   -3.12152
H       3.81149    6.35543    1.94225
H      -4.67551    2.42174    3.34775
H      -3.81149   -6.35543   -1.94225
H       4.67551   -2.42174   -3.34775
H       6.19140    3.69946   -1.20050
H      -7.05542   -0.23423    6.49049
H      -6.19140   -3.69946    1.20050
H       7.05542    0.23423   -6.49049
H       5.29513    5.63084   -0.03205
H      -6.15915    1.69715    5.32205
H      -5.29513   -5.63084    0.03205
H       6.15915   -1.69715   -5.32205
H       2.86672    1.37879    0.09935
H      -3.73074   -2.55490    5.19065
H      -2.86672   -1.37879   -0.09935
H       3.73074    2.55490   -5.19065
H       1.97405    3.31359    1.26443
H      -2.83806   -0.62010    4.02557
H      -1.97405   -3.31359   -1.26443
H       2.83806    0.62010   -4.02557
O       6.78285    0.68746    0.31463
O      -7.64686   -3.24623    4.97536
O      -6.78285   -0.68746   -0.31463
O       7.64686    3.24623   -4.97536
O       5.61233   -1.07017   -0.40272
O      -6.47635   -5.00386    5.69271
O      -5.61233    1.07017    0.40272
O       6.47635    5.00386   -5.69271
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.94101    0.32163   -0.69092
C      -6.80502   -3.61206    5.98091
C      -5.94101   -0.32163    0.69092
C       6.80502    3.61206   -5.98091
C       5.99771    1.78028   -2.77354
C      -6.86172   -2.15340    8.06354
C      -5.99771   -1.78028    2.77354
C       6.86172    2.15340   -8.06354
C       5.15969    1.27158   -1.57075
C      -6.02370   -2.66211    6.86074
C      -5.15969   -1.27158    1.57075
C       6.02370    2.66211   -6.86074
C       0.53869    6.26427    2.12571
C      -1.40270    2.33058    3.16428
C      -0.53869   -6.26427   -2.12571
C       1.40270   -2.33058   -3.16428
C       1.74345    7.58840    0.32015
C      -2.60747    3.65471    4.96985
C      -1.74345   -7.58840   -0.32015
C       2.60747   -3.65471   -4.96985
C       1.61096    6.20013    1.00682
C      -2.47498    2.26644    4.28317
C      -1.61096   -6.20013   -1.00682
C       2.47498   -2.26644   -4.28317
C       2.99517    5.74120    1.55092
C      -3.85919    1.80751    3.73907
C      -2.99517   -5.74120   -1.55092
C       3.85919   -1.80751   -3.73907
C       5.28072    3.67271   -0.71763
C      -6.14474   -0.26098    6.00762
C      -5.28072   -3.67271    0.71763
C       6.14474    0.26098   -6.00762
C       4.76283    4.73522    0.03384
C      -5.62684    0.80153    5.25615
C      -4.76283   -4.73522   -0.03384
C       5.62684   -0.80153   -5.25615
C       4.61816    2.43092   -0.75247
C      -5.48218   -1.50277    6.04247
C      -4.61816   -2.43092    0.75247
C       5.48218    1.50277   -6.04247
C       3.42479    2.28176   -0.02649
C      -4.28881   -1.65193    5.31648
C      -3.42479   -2.28176    0.02649
C       4.28881    1.65193   -5.31648
C       3.57222    4.57836    0.77079
C      -4.43623    0.64467    4.51921
C      -3.57222   -4.57836   -0.77079
C       4.43623   -0.64467   -4.51921
C       2.90515    3.34243    0.72659
C      -3.76917   -0.59126    4.56340
C      -2.90515   -3.34243   -0.72659
C       3.76917    0.59126   -4.56340
H       6.15688   -1.62154   -0.23478
H      -7.02090   -5.55523    5.52477
H      -6.15688    1.62154    0.23478
H       7.02090    5.55523   -5.52477
H       6.86321    2.34895   -2.43011
H      -7.72723   -1.58473    7.72011
H      -6.86321   -2.34895    2.43011
H       7.72723    1.58473   -7.72011
H       6.34545    0.93033   -3.36563
H      -7.20947   -3.00335    8.65563
H      -6.34545   -0.93033    3.36563
H       7.20947    3.00335   -8.65563
H       5.38204    2.42108   -3.40828
H      -6.24606   -1.51260    8.69828
H      -5.38204   -2.42108    3.40828
H       6.24606    1.51260   -8.69828
H       4.53726    0.39111   -1.39242
H      -5.40128   -3.54257    6.68241
H      -4.53726   -0.39111    1.39242
H       5.40128    3.54257   -6.68241
H      -0.40358    6.62867    1.71259
H      -0.46044    2.69497    3.57741
H       0.40358   -6.62867   -1.71259
H       0.46044   -2.69497   -3.57741
H       0.36946    5.27215    2.54146
H      -1.23348    1.33845    2.74854
H      -0.36946   -5.27215   -2.54146
H       1.23348   -1.33845   -2.74854
H       0.86074    6.93660    2.91943
H      -1.72476    3.00290    2.37057
H      -0.86074   -6.93660   -2.91943
H       1.72476   -3.00290   -2.37057
H       2.47292    7.52975   -0.49270
H      -3.33694    3.59606    5.78269
H      -2.47292   -7.52975    0.49270
H       3.33694   -3.59606   -5.78269
H       0.78216    7.89002   -0.09565
H      -1.64618    3.95633    5.38564
H      -0.78216   -7.89002    0.09565
H       1.64618   -3.95633   -5.38564
H       2.07091    8.33544    1.03591
H      -2.93493    4.40175    4.25409
H      -2.07091   -8.33544   -1.03591
H       2.93493   -4.40175   -4.25409
H       1.71980    6.46538   -0.04844
H      -2.58381    2.53169    5.33843
H      -1.71980   -6.46538    0.04844
H       2.58381   -2.53169   -5.33843
H       2.28784    5.36734    2.29299
H      -3.15186    1.43365    2.99700
H      -2.28784   -5.36734   -2.29299
H       3.15186   -1.43365   -2.99700
H       3.81517    6.23158    2.08919
H      -4.67919    2.29788    3.20080
H      -3.81517   -6.23158   -2.08919
H       4.67919   -2.29788   -3.20080
H       6.16878    3.81660   -1.26095
H      -7.03280   -0.11709    6.55094
H      -6.16878   -3.81660    1.26095
H       7.03280    0.11709   -6.55094
H       5.26841    5.65621    0.04441
H      -6.13243    1.72252    5.24559
H      -5.26841   -5.65621   -0.04441
H       6.13243   -1.72252   -5.24559
H       2.90603    1.36604   -0.04527
H      -3.77005   -2.56765    5.33526
H      -2.90603   -1.36604    0.04527
H       3.77005    2.56765   -5.33526
H       2.00913    3.20934    1.25687
H      -2.87315   -0.72435    4.03312
H      -2.00913   -3.20934   -1.25687
H       2.87315    0.72435   -4.03312
O       6.83550    0.72521    0.04918
O      -7.69952   -3.20848    5.24081
O      -6.83550   -0.72521   -0.04918
O       7.69952    3.20848   -5.24081
O       5.67647   -1.00237   -0.75460
O      -6.54048   -4.93605    6.04459
O      -5.67647    1.00237    0.75460
O       6.54048    4.93605   -6.04459
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.94101    0.32163   -0.69092
C      -6.80502   -3.61206    5.98091
C      -5.94101   -0.32163    0.69092
C       6.80502    3.61206   -5.98091
C       5.99771    1.78028   -2.77354
C      -6.86172   -2.15340    8.06354
C      -5.99771   -1.78028    2.77354
C       6.86172    2.15340   -8.06354
C       5.15969    1.27158   -1.57075
C      -6.02370   -2.66211    6.86074
C      -5.15969   -1.27158    1.57075
C       6.02370    2.66211   -6.86074
C       0.53869    6.26427    2.12571
C      -1.40270    2.33058    3.16428
C      -0.53869   -6.26427   -2.12571
C       1.40270   -2.33058   -3.16428
C       1.74345    7.58840    0.32015
C      -2.60747    3.65471    4.96985
C      -1.74345   -7.58840   -0.32015
C       2.60747   -3.65471   -4.96985
C       1.61096    6.20013    1.00682
C      -2.47498    2.26644    4.28317
C      -1.61096   -6.20013   -1.00682
C       2.47498   -2.26644   -4.28317
C       2.99517    5.74120    1.55092
C      -3.85919    1.80751    3.73907
C      -2.99517   -5.74120   -1.55092
C       3.85919   -1.80751   -3.73907
C       5.28072    3.67271   -0.71763
C      -6.14474   -0.26098    6.00762
C      -5.28072   -3.67271    0.71763
C       6.14474    0.26098   -6.00762
C       4.76283    4.73522    0.03384
C      -5.62684    0.80153    5.25615
C      -4.76283   -4.73522   -0.03384
C       5.62684   -0.80153   -5.25615
C       4.61816    2.43092   -0.75247
C      -5.48218   -1.50277    6.04247
C      -4.61816   -2.43092    0.75247
C       5.48218    1.50277   -6.04247
C       3.42479    2.28176   -0.02649
C      -4.28881   -1.65193    5.31648
C      -3.42479   -2.28176    0.02649
C       4.28881    1.65193   -5.31648
C       3.57222    4.57836    0.77079
C      -4.43623    0.64467    4.51921
C      -3.57222   -4.57836   -0.77079
C       4.43623   -0.64467   -4.51921
C       2.90515    3.34243    0.72659
C      -3.76917   -0.59126    4.56340
C      -2.90515   -3.34243   -0.72659
C       3.76917    0.59126   -4.56340
H       5.87038   -1.49930    0.15159
H      -6.73440   -5.43299    5.13840
H      -5.87038    1.49930   -0.15159
H       6.73440    5.43299   -5.13840
H       6.86321    2.34895   -2.43011
H      -7.72723   -1.58473    7.72011
H      -6.86321   -2.34895    2.43011
H       7.72723    1.58473   -7.72011
H       6.34545    0.93033   -3.36563
H      -7.20947   -3.00335    8.65563
H      -6.34545   -0.93033    3.36563
H       7.20947    3.00335   -8.65563
H       5.38204    2.42108   -3.40828
H      -6.24606   -1.51260    8.69828
H      -5.38204   -2.42108    3.40828
H       6.24606    1.51260   -8.69828
H       4.53726    0.39111   -1.39242
H      -5.40128   -3.54257    6.68241
H      -4.53726   -0.39111    1.39242
H       5.40128    3.54257   -6.68241
H      -0.40358    6.62867    1.71259
H      -0.46044    2.69497    3.57741
H       0.40358   -6.62867   -1.71259
H       0.46044   -2.69497   -3.57741
H       0.36946    5.27215    2.54146
H      -1.23348    1.33845    2.74854
H      -0.36946   -5.27215   -2.54146
H       1.23348   -1.33845   -2.74854
H       0.86074    6.93660    2.91943
H      -1.72476    3.00290    2.37057
H      -0.86074   -6.93660   -2.91943
H       1.72476   -3.00290   -2.37057
H       2.47292    7.52975   -0.49270
H      -3.33694    3.59606    5.78269
H      -2.47292   -7.52975    0.49270
H       3.33694   -3.59606   -5.78269
H       0.78216    7.89002   -0.09565
H      -1.64618    3.95633    5.38564
H      -0.78216   -7.89002    0.09565
H       1.64618   -3.95633   -5.38564
H       2.07091    8.33544    1.03591
H      -2.93493    4.40175    4.25409
H      -2.07091   -8.33544   -1.03591
H       2.93493   -4.40175   -4.25409
H       1.71980    6.46538   -0.04844
H      -2.58381    2.53169    5.33843
H      -1.71980   -6.46538    0.04844
H       2.58381   -2.53169   -5.33843
H       2.28784    5.36734    2.29299
H      -3.15186    1.43365    2.99700
H      -2.28784   -5.36734   -2.29299
H       3.15186   -1.43365   -2.99700
H       3.81517    6.23158    2.08919
H      -4.67919    2.29788    3.20080
H      -3.81517   -6.23158   -2.08919
H       4.67919   -2.29788   -3.20080
H       6.16878    3.81660   -1.26095
H      -7.03280   -0.11709    6.55094
H      -6.16878   -3.81660    1.26095
H       7.03280    0.11709   -6.55094
H       5.26841    5.65621    0.04441
H      -6.13243    1.72252    5.24559
H      -5.26841   -5.65621   -0.04441
H       6.13243   -1.72252   -5.24559
H       2.90603    1.36604   -0.04527
H      -3.77005   -2.56765    5.33526
H      -2.90603   -1.36604    0.04527
H       3.77005    2.56765   -5.33526
H       2.00913    3.20934    1.25687
H      -2.87315   -0.72435    4.03312
H      -2.00913   -3.20934   -1.25687
H       2.87315    0.72435   -4.03312
O       7.06804    0.60300   -0.28930
O      -7.93205   -3.33069    5.57929
O      -7.06804   -0.60300    0.28930
O       7.93205    3.33069   -5.57929
O       5.40302   -0.87816   -0.37770
O      -6.26704   -4.81185    5.66770
O      -5.40302    0.87816    0.37770
O       6.26704    4.81185   -5.66770
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.94101    0.32163   -0.69092
C      -6.80502   -3.61206    5.98091
C      -5.94101   -0.32163    0.69092
C       6.80502    3.61206   -5.98091
C       5.99771    1.78028   -2.77354
C      -6.86172   -2.15340    8.06354
C      -5.99771   -1.78028    2.77354
C       6.86172    2.15340   -8.06354
C       5.15969    1.27158   -1.57075
C      -6.02370   -2.66211    6.86074
C      -5.15969   -1.27158    1.57075
C       6.02370    2.66211   -6.86074
C       0.57361    6.39143    2.14401
C      -1.43763    2.45774    3.14599
C      -0.57361   -6.39143   -2.14401
C       1.43763   -2.45774   -3.14599
C       1.76698    7.52236    0.20449
C      -2.63099    3.58867    5.08550
C      -1.76698   -7.52236   -0.20449
C       2.63099   -3.58867   -5.08550
C       1.61096    6.20013    1.00682
C      -2.47498    2.26644    4.28317
C      -1.61096   -6.20013   -1.00682
C       2.47498   -2.26644   -4.28317
C       2.99517    5.74120    1.55092
C      -3.85919    1.80751    3.73907
C      -2.99517   -5.74120   -1.55092
C       3.85919   -1.80751   -3.73907
C       5.28072    3.67271   -0.71763
C      -6.14474   -0.26098    6.00762
C      -5.28072   -3.67271    0.71763
C       6.14474    0.26098   -6.00762
C       4.76283    4.73522    0.03384
C      -5.62684    0.80153    5.25615
C      -4.76283   -4.73522   -0.03384
C       5.62684   -0.80153   -5.25615
C       4.61816    2.43092   -0.75247
C      -5.48218   -1.50277    6.04247
C      -4.61816   -2.43092    0.75247
C       5.48218    1.50277   -6.04247
C       3.42479    2.28176   -0.02649
C      -4.28881   -1.65193    5.31648
C      -3.42479   -2.28176    0.02649
C       4.28881    1.65193   -5.31648
C       3.57222    4.57836    0.77079
C      -4.43623    0.64467    4.51921
C      -3.57222   -4.57836   -0.77079
C       4.43623   -0.64467   -4.51921
C       2.90515    3.34243    0.72659
C      -3.76917   -0.59126    4.56340
C      -2.90515   -3.34243   -0.72659
C       3.76917    0.59126   -4.56340
H       5.87038   -1.49930    0.15159
H      -6.73440   -5.43299    5.13840
H      -5.87038    1.49930   -0.15159
H       6.73440    5.43299   -5.13840
H       6.86321    2.34895   -2.43011
H      -7.72723   -1.58473    7.72011
H      -6.86321   -2.34895    2.43011
H       7.72723    1.58473   -7.72011
H       6.34545    0.93033   -3.36563
H      -7.20947   -3.00335    8.65563
H      -6.34545   -0.93033    3.36563
H       7.20947    3.00335   -8.65563
H       5.38204    2.42108   -3.40828
H      -6.24606   -1.51260    8.69828
H      -5.38204   -2.42108    3.40828
H       6.24606    1.51260   -8.69828
H       4.53726    0.39111   -1.39242
H      -5.40128   -3.54257    6.68241
H      -4.53726   -0.39111    1.39242
H       5.40128    3.54257   -6.68241
H      -0.36825    6.75213    1.72675
H      -0.49576    2.81844    3.56325
H       0.36825   -6.75213   -1.72675
H       0.49576   -2.81844   -3.56325
H       0.38546    5.44287    2.64462
H      -1.24948    1.50917    2.64537
H      -0.38546   -5.44287   -2.64462
H       1.24948   -1.50917   -2.64537
H       0.93906    7.11528    2.87079
H      -1.80307    3.18159    2.41920
H      -0.93906   -7.11528   -2.87079
H       1.80307   -3.18159   -2.41920
H       2.47072    7.37304   -0.61936
H      -3.33473    3.43935    5.90936
H      -2.47072   -7.37304    0.61936
H       3.33473   -3.43935   -5.90936
H       0.80407    7.82095   -0.20974
H      -1.66809    3.88726    5.49974
H      -0.80407   -7.82095    0.20974
H       1.66809   -3.88726   -5.49974
H       2.13793    8.31408    0.84729
H      -3.00195    4.38038    4.44270
H      -2.13793   -8.31408   -0.84729
H       3.00195   -4.38038   -4.44270
H       1.71980    6.46538   -0.04844
H      -2.58381    2.53169    5.33843
H      -1.71980   -6.46538    0.04844
H       2.58381   -2.53169   -5.33843
H       2.28784    5.36734    2.29299
H      -3.15186    1.43365    2.99700
H      -2.28784   -5.36734   -2.29299
H       3.15186   -1.43365   -2.99700
H       3.81517    6.23158    2.08919
H      -4.67919    2.29788    3.20080
H      -3.81517   -6.23158   -2.08919
H       4.67919   -2.29788   -3.20080
H       6.16878    3.81660   -1.26095
H      -7.03280   -0.11709    6.55094
H      -6.16878   -3.81660    1.26095
H       7.03280    0.11709   -6.55094
H       5.26841    5.65621    0.04441
H      -6.13243    1.72252    5.24559
H      -5.26841   -5.65621   -0.04441
H       6.13243   -1.72252   -5.24559
H       2.90603    1.36604   -0.04527
H      -3.77005   -2.56765    5.33526
H      -2.90603   -1.36604    0.04527
H       3.77005    2.56765   -5.33526
H       2.00913    3.20934    1.25687
H      -2.87315   -0.72435    4.03312
H      -2.00913   -3.20934   -1.25687
H       2.87315    0.72435   -4.03312
O       7.06804    0.60300   -0.28930
O      -7.93205   -3.33069    5.57929
O      -7.06804   -0.60300    0.28930
O       7.93205    3.33069   -5.57929
O       5.40302   -0.87816   -0.37770
O      -6.26704   -4.81185    5.66770
O      -5.40302    0.87816    0.37770
O       6.26704    4.81185   -5.66770
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       5.94101   -7.54577   -0.69092
C      -6.80502   -3.61206    5.98091
C      -5.94101    7.54577    0.69092
C       6.80502    3.61206   -5.98091
C       5.99771   -6.08711   -2.77354
C      -6.86172   -2.15340    8.06354
C      -5.99771    6.08711    2.77354
C       6.86172    2.15340   -8.06354
C       5.15969   -6.59581   -1.57075
C      -6.02370   -2.66211    6.86074
C      -5.15969    6.59581    1.57075
C       6.02370    2.66211   -6.86074
C       0.57361   -1.47596    2.14401
C      -1.43763    2.45774    3.14599
C      -0.57361    1.47596   -2.14401
C       1.43763   -2.45774   -3.14599
C       1.76698   -0.34503    0.20449
C      -2.63099    3.58867    5.08550
C      -1.76698    0.34503   -0.20449
C       2.63099   -3.58867   -5.08550
C       1.61096   -1.66726    1.00682
C      -2.47498    2.26644    4.28317
C      -1.61096    1.66726   -1.00682
C       2.47498   -2.26644   -4.28317
C       2.99517   -2.12619    1.55092
C      -3.85919    1.80751    3.73907
C      -2.99517    2.12619   -1.55092
C       3.85919   -1.80751   -3.73907
C       5.28072   -4.19468   -0.71763
C      -6.14474   -0.26098    6.00762
C      -5.28072    4.19468    0.71763
C       6.14474    0.26098   -6.00762
C       4.76283   -3.13217    0.03384
C      -5.62684    0.80153    5.25615
C      -4.76283    3.13217   -0.03384
C       5.62684   -0.80153   -5.25615
C       4.61816   -5.43647   -0.75247
C      -5.48218   -1.50277    6.04247
C      -4.61816    5.43647    0.75247
C       5.48218    1.50277   -6.04247
C       3.42479   -5.58563   -0.02649
C      -4.28881   -1.65193    5.31648
C      -3.42479    5.58563    0.02649
C       4.28881    1.65193   -5.31648
C       3.57222   -3.28903    0.77079
C      -4.43623    0.64467    4.51921
C      -3.57222    3.28903   -0.77079
C       4.43623   -0.64467   -4.51921
C       2.90515   -4.52496    0.72659
C      -3.76917   -0.59126    4.56340
C      -2.90515    4.52496   -0.72659
C       3.76917    0.59126   -4.56340
H       7.63785   -7.71145    0.36914
H      -8.50187   -3.77775    4.92085
H      -7.63785    7.71145   -0.36914
H       8.50187    3.77775   -4.92085
H       6.86321   -5.51844   -2.43011
H      -7.72723   -1.58473    7.72011
H      -6.86321    5.51844    2.43011
H       7.72723    1.58473   -7.72011
H       6.34545   -6.93706   -3.36563
H      -7.20947   -3.00335    8.65563
H      -6.34545    6.93706    3.36563
H       7.20947    3.00335   -8.65563
H       5.38204   -5.44631   -3.40828
H      -6.24606   -1.51260    8.69828
H      -5.38204    5.44631    3.40828
H       6.24606    1.51260   -8.69828
H       4.53726   -7.47628   -1.39242
H      -5.40128   -3.54257    6.68241
H      -4.53726    7.47628    1.39242
H       5.40128    3.54257   -6.68241
H      -0.36825   -1.11526    1.72675
H      -0.49576    2.81844    3.56325
H       0.36825    1.11526   -1.72675
H       0.49576   -2.81844   -3.56325
H       0.38546   -2.42453    2.64462
H      -1.24948    1.50917    2.64537
H      -0.38546    2.42453   -2.64462
H       1.24948   -1.50917   -2.64537
H       0.93906   -0.75211    2.87079
H      -1.80307    3.18159    2.41920
H      -0.93906    0.75211   -2.87079
H       1.80307   -3.18159   -2.41920
H       2.47072   -0.49436   -0.61936
H      -3.33473    3.43935    5.90936
H      -2.47072    0.49436    0.61936
H       3.33473   -3.43935   -5.90936
H       0.80407   -0.04645   -0.20974
H      -1.66809    3.88726    5.49974
H      -0.80407    0.04645    0.20974
H       1.66809   -3.88726   -5.49974
H       2.13793    0.44668    0.84729
H      -3.00195    4.38038    4.44270
H      -2.13793   -0.44668   -0.84729
H       3.00195   -4.38038   -4.44270
H       1.71980   -1.40201   -0.04844
H      -2.58381    2.53169    5.33843
H      -1.71980    1.40201    0.04844
H       2.58381   -2.53169   -5.33843
H       2.28784   -2.50005    2.29299
H      -3.15186    1.43365    2.99700
H      -2.28784    2.50005   -2.29299
H       3.15186   -1.43365   -2.99700
H       3.81517   -1.63582    2.08919
H      -4.67919    2.29788    3.20080
H      -3.81517    1.63582   -2.08919
H       4.67919   -2.29788   -3.20080
H       6.16878   -4.05080   -1.26095
H      -7.03280   -0.11709    6.55094
H      -6.16878    4.05080    1.26095
H       7.03280    0.11709   -6.55094
H       5.26841   -2.21118    0.04441
H      -6.13243    1.72252    5.24559
H      -5.26841    2.21118   -0.04441
H       6.13243   -1.72252   -5.24559
H       2.90603   -6.50135   -0.04527
H      -3.77005   -2.56765    5.33526
H      -2.90603    6.50135    0.04527
H       3.77005    2.56765   -5.33526
H       2.00913   -4.65805    1.25687
H      -2.87315   -0.72435    4.03312
H      -2.00913    4.65805   -1.25687
H       2.87315    0.72435   -4.03312
O       5.49371   -8.64942   -0.38669
O      -6.35773   -4.71572    5.67668
O      -5.49371    8.64942    0.38669
O       6.35773    4.71572   -5.67668
O       7.13564   -7.15221   -0.19604
O      -7.99966   -3.21851    5.48604
O      -7.13564    7.15221    0.19604
O       7.99966    3.21851   -5.48604
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30593   -7.08575   -1.35874
C      -7.16994   -3.15205    6.64873
C      -6.30593    7.08575    1.35874
C       7.16994    3.15205   -6.64873
C       6.21199   -5.24200   -3.10802
C      -7.07601   -1.30829    8.39801
C      -6.21199    5.24200    3.10802
C       7.07601    1.30829   -8.39801
C       5.43089   -6.06284   -2.04789
C      -6.29491   -2.12913    7.33788
C      -5.43089    6.06284    2.04789
C       6.29491    2.12913   -7.33788
C       0.34229   -2.27856    2.51609
C      -1.20630    1.65514    2.77391
C      -0.34229    2.27856   -2.51609
C       1.20630   -1.65514   -2.77391
C       1.41273   -0.66814    0.86517
C      -2.27675    3.26556    4.42483
C      -1.41273    0.66814   -0.86517
C       2.27675   -3.26556   -4.42483
C       1.39374   -2.13295    1.38510
C      -2.25776    1.80075    3.90489
C      -1.39374    2.13295   -1.38510
C       2.25776   -1.80075   -3.90489
C       2.81788   -2.54935    1.85533
C      -3.68190    1.38435    3.43466
C      -2.81788    2.54935   -1.85533
C       3.68190   -1.38435   -3.43466
C       5.30411   -3.88108   -0.73193
C      -6.16813    0.05262    6.02192
C      -5.30411    3.88108    0.73193
C       6.16813   -0.05262   -6.02192
C       4.67962   -3.04808    0.20507
C      -5.54364    0.88562    5.08492
C      -4.67962    3.04808   -0.20507
C       5.54364   -0.88562   -5.08492
C       4.77293   -5.15121   -1.02666
C      -5.63694   -1.21750    6.31665
C      -4.77293    5.15121    1.02666
C       5.63694    1.21750   -6.31665
C       3.60131   -5.56215   -0.36949
C      -4.46533   -1.62845    5.65948
C      -3.60131    5.56215    0.36949
C       4.46533    1.62845   -5.65948
C       3.51154   -3.46844    0.87151
C      -4.37556    0.46526    4.41849
C      -3.51154    3.46844   -0.87151
C       4.37556   -0.46526   -4.41849
C       2.97527   -4.73144    0.56869
C      -3.83929   -0.79774    4.72131
C      -2.97527    4.73144   -0.56869
C       3.83929    0.79774   -4.72131
H       8.01088   -7.28799   -0.31823
H      -8.87490   -3.35428    5.60822
H      -8.01088    7.28799    0.31823
H       8.87490    3.35428   -5.60822
H       7.01437   -4.66913   -2.64066
H      -7.87838   -0.73542    7.93065
H      -7.01437    4.66913    2.64066
H       7.87838    0.73542   -7.93065
H       6.64536   -5.91689   -3.85007
H      -7.50938   -1.98318    9.14007
H      -6.64536    5.91689    3.85007
H       7.50938    1.98318   -9.14007
H       5.53358   -4.55269   -3.61512
H      -6.39760   -0.61897    8.90511
H      -5.53358    4.55269    3.61512
H       6.39760    0.61897   -8.90511
H       4.90244   -7.01940   -2.06105
H      -5.76645   -3.08569    7.35105
H      -4.90244    7.01940    2.06105
H       5.76645    3.08569   -7.35105
H      -0.63174   -1.93862    2.15967
H      -0.23228    1.99507    3.13033
H       0.63174    1.93862   -2.15967
H       0.23228   -1.99507   -3.13033
H       0.25284   -3.32211    2.81406
H      -1.11686    0.61158    2.47593
H      -0.25284    3.32211   -2.81406
H       1.11686   -0.61158   -2.47593
H       0.63131   -1.68155    3.37966
H      -1.49533    2.25215    1.91033
H      -0.63131    1.68155   -3.37966
H       1.49533   -2.25215   -1.91033
H       2.12805   -0.57793    0.04269
H      -2.99207    3.35577    5.24731
H      -2.12805    0.57793   -0.04269
H       2.99207   -3.35577   -5.24731
H       0.42417   -0.39146    0.49893
H      -1.28819    3.54224    4.79107
H      -0.42417    0.39146   -0.49893
H       1.28819   -3.54224   -4.79107
H       1.70024    0.01236    1.66007
H      -2.56426    3.94606    3.62993
H      -1.70024   -0.01236   -1.66007
H       2.56426   -3.94606   -3.62993
H       1.47461   -1.65245    0.40614
H      -2.33863    2.28125    4.88385
H      -1.47461    1.65245   -0.40614
H       2.33863   -2.28125   -4.88385
H       2.15286   -3.13346    2.49354
H      -3.01688    0.80024    2.79645
H      -2.15286    3.13346   -2.49354
H       3.01688   -0.80024   -2.79645
H       3.58307   -2.09633    2.49709
H      -4.44709    1.83737    2.79290
H      -3.58307    2.09633   -2.49709
H       4.44709   -1.83737   -2.79290
H       6.17260   -3.54261   -1.21744
H      -7.03661    0.39110    6.50743
H      -6.17260    3.54261    1.21744
H       7.03661   -0.39110   -6.50743
H       5.08769   -2.10159    0.40898
H      -5.95170    1.83212    4.88101
H      -5.08769    2.10159   -0.40898
H       5.95170   -1.83212   -4.88101
H       3.17959   -6.50319   -0.58067
H      -4.04360   -2.56949    5.87066
H      -3.17959    6.50319    0.58067
H       4.04360    2.56949   -5.87066
H       2.09775   -5.05759    1.04340
H      -2.96177   -1.12389    4.24659
H      -2.09775    5.05759   -1.04340
H       2.96177    1.12389   -4.24659
O       5.97466   -8.26734   -1.28935
O      -6.83868   -4.33363    6.57935
O      -5.97466    8.26734    1.28935
O       6.83868    4.33363   -6.57935
O       7.45373   -6.68062   -0.77107
O      -8.31774   -2.74691    6.06106
O      -7.45373    6.68062    0.77107
O       8.31774    2.74691   -6.06106
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.41593   -6.99063   -1.37276
C      -7.27995   -3.05692    6.66275
C      -6.41593    6.99063    1.37276
C       7.27995    3.05692   -6.66275
C       6.08667   -5.24136   -3.18931
C      -6.95069   -1.30765    8.47931
C      -6.08667    5.24136    3.18931
C       6.95069    1.30765   -8.47931
C       5.43089   -6.06284   -2.04789
C      -6.29491   -2.12913    7.33788
C      -5.43089    6.06284    2.04789
C       6.29491    2.12913   -7.33788
C       0.34229   -2.27856    2.51609
C      -1.20630    1.65514    2.77391
C      -0.34229    2.27856   -2.51609
C       1.20630   -1.65514   -2.77391
C       1.41273   -0.66814    0.86517
C      -2.27675    3.26556    4.42483
C      -1.41273    0.66814   -0.86517
C       2.27675   -3.26556   -4.42483
C       1.39374   -2.13295    1.38510
C      -2.25776    1.80075    3.90489
C      -1.39374    2.13295   -1.38510
C       2.25776   -1.80075   -3.90489
C       2.81788   -2.54935    1.85533
C      -3.68190    1.38435    3.43466
C      -2.81788    2.54935   -1.85533
C       3.68190   -1.38435   -3.43466
C       5.30411   -3.88108   -0.73193
C      -6.16813    0.05262    6.02192
C      -5.30411    3.88108    0.73193
C       6.16813   -0.05262   -6.02192
C       4.67962   -3.04808    0.20507
C      -5.54364    0.88562    5.08492
C      -4.67962    3.04808   -0.20507
C       5.54364   -0.88562   -5.08492
C       4.77293   -5.15121   -1.02666
C      -5.63694   -1.21750    6.31665
C      -4.77293    5.15121    1.02666
C       5.63694    1.21750   -6.31665
C       3.60131   -5.56215   -0.36949
C      -4.46533   -1.62845    5.65948
C      -3.60131    5.56215    0.36949
C       4.46533    1.62845   -5.65948
C       3.51154   -3.46844    0.87151
C      -4.37556    0.46526    4.41849
C      -3.51154    3.46844   -0.87151
C       4.37556   -0.46526   -4.41849
C       2.97527   -4.73144    0.56869
C      -3.83929   -0.79774    4.72131
C      -2.97527    4.73144   -0.56869
C       3.83929    0.79774   -4.72131
H       8.19053   -7.02775   -0.43476
H      -9.05455   -3.09405    5.72476
H      -8.19053    7.02775    0.43476
H       9.05455    3.09405   -5.72476
H       6.87328   -4.59410   -2.79851
H      -7.73730   -0.66039    8.08851
H      -6.87328    4.59410    2.79851
H       7.73730    0.66039   -8.08851
H       6.52112   -5.91924   -3.92800
H      -7.38514   -1.98553    9.21799
H      -6.52112    5.91924    3.92800
H       7.38514    1.98553   -9.21799
H       5.33192   -4.62417   -3.68122
H      -6.19594   -0.69045    8.97121
H      -5.33192    4.62417    3.68122
H       6.19594    0.69045   -8.97121
H       4.90244   -7.01940   -2.06105
H      -5.76645   -3.08569    7.35105
H      -4.90244    7.01940    2.06105
H       5.76645    3.08569   -7.35105
H      -0.63174   -1.93862    2.15967
H      -0.23228    1.99507    3.13033
H       0.63174    1.93862   -2.15967
H       0.23228   -1.99507   -3.13033
H       0.25284   -3.32211    2.81406
H      -1.11686    0.61158    2.47593
H      -0.25284    3.32211   -2.81406
H       1.11686   -0.61158   -2.47593
H       0.63131   -1.68155    3.37966
H      -1.49533    2.25215    1.91033
H      -0.63131    1.68155   -3.37966
H       1.49533   -2.25215   -1.91033
H       2.12805   -0.57793    0.04269
H      -2.99207    3.35577    5.24731
H      -2.12805    0.57793   -0.04269
H       2.99207   -3.35577   -5.24731
H       0.42417   -0.39146    0.49893
H      -1.28819    3.54224    4.79107
H      -0.42417    0.39146   -0.49893
H       1.28819   -3.54224   -4.79107
H       1.70024    0.01236    1.66007
H      -2.56426    3.94606    3.62993
H      -1.70024   -0.01236   -1.66007
H       2.56426   -3.94606   -3.62993
H       1.47461   -1.65245    0.40614
H      -2.33863    2.28125    4.88385
H      -1.47461    1.65245   -0.40614
H       2.33863   -2.28125   -4.88385
H       2.15286   -3.13346    2.49354
H      -3.01688    0.80024    2.79645
H      -2.15286    3.13346   -2.49354
H       3.01688   -0.80024   -2.79645
H       3.58307   -2.09633    2.49709
H      -4.44709    1.83737    2.79290
H      -3.58307    2.09633   -2.49709
H       4.44709   -1.83737   -2.79290
H       6.17260   -3.54261   -1.21744
H      -7.03661    0.39110    6.50743
H      -6.17260    3.54261    1.21744
H       7.03661   -0.39110   -6.50743
H       5.08769   -2.10159    0.40898
H      -5.95170    1.83212    4.88101
H      -5.08769    2.10159   -0.40898
H       5.95170   -1.83212   -4.88101
H       3.17959   -6.50319   -0.58067
H      -4.04360   -2.56949    5.87066
H      -3.17959    6.50319    0.58067
H       4.04360    2.56949   -5.87066
H       2.09775   -5.05759    1.04340
H      -2.96177   -1.12389    4.24659
H      -2.09775    5.05759   -1.04340
H       2.96177    1.12389   -4.24659
O       6.17377   -8.18743   -1.23238
O      -7.03779   -4.25373    6.52237
O      -6.17377    8.18743    1.23238
O       7.03779    4.25373   -6.52237
O       7.56557   -6.48146   -0.87677
O      -8.42959   -2.54775    6.16676
O      -7.56557    6.48146    0.87677
O       8.42959    2.54775   -6.16676
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.41593   -6.99063   -1.37276
C      -5.55191   -3.05693   -3.91724
C      -6.41593    6.99063    1.37276
C       5.55191    3.05693    3.91724
C       6.08667   -5.24136   -3.18931
C      -5.22266   -1.30766   -2.10068
C      -6.08667    5.24136    3.18931
C       5.22266    1.30766    2.10068
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.34229   -2.27856    2.51609
C       0.52173    1.65513   -7.80608
C      -0.34229    2.27856   -2.51609
C      -0.52173   -1.65513    7.80608
C       1.41273   -0.66814    0.86517
C      -0.54871    3.26555   -6.15516
C      -1.41273    0.66814   -0.86517
C       0.54871   -3.26555    6.15516
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.28605   -7.08179   -0.64845
H      -7.42204   -3.14810   -4.64155
H      -8.28605    7.08179    0.64845
H       7.42204    3.14810    4.64155
H       6.87328   -4.59410   -2.79851
H      -6.00926   -0.66040   -2.49148
H      -6.87328    4.59410    2.79851
H       6.00926    0.66040    2.49148
H       6.52112   -5.91924   -3.92800
H      -5.65710   -1.98554   -1.36200
H      -6.52112    5.91924    3.92800
H       5.65710    1.98554    1.36200
H       5.33192   -4.62417   -3.68122
H      -4.46790   -0.69047   -1.60878
H      -5.33192    4.62417    3.68122
H       4.46790    0.69047    1.60878
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.63174   -1.93862    2.15967
H       1.49576    1.99506   -7.44966
H       0.63174    1.93862   -2.15967
H      -1.49576   -1.99506    7.44966
H       0.25284   -3.32211    2.81406
H       0.61118    0.61157   -8.10406
H      -0.25284    3.32211   -2.81406
H      -0.61118   -0.61157    8.10406
H       0.63131   -1.68155    3.37966
H       0.23271    2.25213   -8.66966
H      -0.63131    1.68155   -3.37966
H      -0.23271   -2.25213    8.66966
H       2.12805   -0.57793    0.04269
H      -1.26403    3.35576   -5.33268
H      -2.12805    0.57793   -0.04269
H       1.26403   -3.35576    5.33268
H       0.42417   -0.39146    0.49893
H       0.43984    3.54222   -5.78892
H      -0.42417    0.39146   -0.49893
H      -0.43984   -3.54222    5.78892
H       1.70024    0.01236    1.66007
H      -0.83622    3.94605   -6.95006
H      -1.70024   -0.01236   -1.66007
H       0.83622   -3.94605    6.95006
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.09847   -8.13249   -1.04707
O      -5.23446   -4.19880   -4.24292
O      -6.09847    8.13249    1.04707
O       5.23446    4.19880    4.24292
O       7.65598   -6.53666   -1.08459
O      -6.79197   -2.60296   -4.20540
O      -7.65598    6.53666    1.08459
O       6.79197    2.60296    4.20540
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.41593   -6.99063   -1.37276
C      -5.55191   -3.05693   -3.91724
C      -6.41593    6.99063    1.37276
C       5.55191    3.05693    3.91724
C       6.08667   -5.24136   -3.18931
C      -5.22266   -1.30766   -2.10068
C      -6.08667    5.24136    3.18931
C       5.22266    1.30766    2.10068
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.34229   -2.27856    2.51609
C       0.52173    1.65513   -7.80608
C      -0.34229    2.27856   -2.51609
C      -0.52173   -1.65513    7.80608
C       1.41273   -0.66814    0.86517
C      -0.54871    3.26555   -6.15516
C      -1.41273    0.66814   -0.86517
C       0.54871   -3.26555    6.15516
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37373   -7.41042   -1.22805
H      -7.50972   -3.47673   -4.06195
H      -8.37373    7.41042    1.22805
H       7.50972    3.47673    4.06195
H       6.87328   -4.59410   -2.79851
H      -6.00926   -0.66040   -2.49148
H      -6.87328    4.59410    2.79851
H       6.00926    0.66040    2.49148
H       6.52112   -5.91924   -3.92800
H      -5.65710   -1.98554   -1.36200
H      -6.52112    5.91924    3.92800
H       5.65710    1.98554    1.36200
H       5.33192   -4.62417   -3.68122
H      -4.46790   -0.69047   -1.60878
H      -5.33192    4.62417    3.68122
H       4.46790    0.69047    1.60878
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.63174   -1.93862    2.15967
H       1.49576    1.99506   -7.44966
H       0.63174    1.93862   -2.15967
H      -1.49576   -1.99506    7.44966
H       0.25284   -3.32211    2.81406
H       0.61118    0.61157   -8.10406
H      -0.25284    3.32211   -2.81406
H      -0.61118   -0.61157    8.10406
H       0.63131   -1.68155    3.37966
H       0.23271    2.25213   -8.66966
H      -0.63131    1.68155   -3.37966
H      -0.23271   -2.25213    8.66966
H       2.12805   -0.57793    0.04269
H      -1.26403    3.35576   -5.33268
H      -2.12805    0.57793   -0.04269
H       1.26403   -3.35576    5.33268
H       0.42417   -0.39146    0.49893
H       0.43984    3.54222   -5.78892
H      -0.42417    0.39146   -0.49893
H      -0.43984   -3.54222    5.78892
H       1.70024    0.01236    1.66007
H      -0.83622    3.94605   -6.95006
H      -1.70024   -0.01236   -1.66007
H       0.83622   -3.94605    6.95006
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.04587   -7.83001   -0.55471
O      -5.18186   -3.89632   -4.73529
O      -6.04587    7.83001    0.55471
O       5.18186    3.89632    4.73529
O       7.73356   -6.86199   -1.64493
O      -6.86954   -2.92830   -3.64507
O      -7.73356    6.86199    1.64493
O       6.86954    2.92830    3.64507
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.41593   -6.99063   -1.37276
C      -5.55191   -3.05693   -3.91724
C      -6.41593    6.99063    1.37276
C       5.55191    3.05693    3.91724
C       6.08667   -5.24136   -3.18931
C      -5.22266   -1.30766   -2.10068
C      -6.08667    5.24136    3.18931
C       5.22266    1.30766    2.10068
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.34229   -2.27856    2.51609
C       0.52173    1.65513   -7.80608
C      -0.34229    2.27856   -2.51609
C      -0.52173   -1.65513    7.80608
C       1.41273   -0.66814    0.86517
C      -0.54871    3.26555   -6.15516
C      -1.41273    0.66814   -0.86517
C       0.54871   -3.26555    6.15516
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.33868   -7.56740   -1.39268
H      -7.47466   -3.63370   -3.89732
H      -8.33868    7.56740    1.39268
H       7.47466    3.63370    3.89732
H       6.87328   -4.59410   -2.79851
H      -6.00926   -0.66040   -2.49148
H      -6.87328    4.59410    2.79851
H       6.00926    0.66040    2.49148
H       6.52112   -5.91924   -3.92800
H      -5.65710   -1.98554   -1.36200
H      -6.52112    5.91924    3.92800
H       5.65710    1.98554    1.36200
H       5.33192   -4.62417   -3.68122
H      -4.46790   -0.69047   -1.60878
H      -5.33192    4.62417    3.68122
H       4.46790    0.69047    1.60878
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.63174   -1.93862    2.15967
H       1.49576    1.99506   -7.44966
H       0.63174    1.93862   -2.15967
H      -1.49576   -1.99506    7.44966
H       0.25284   -3.32211    2.81406
H       0.61118    0.61157   -8.10406
H      -0.25284    3.32211   -2.81406
H      -0.61118   -0.61157    8.10406
H       0.63131   -1.68155    3.37966
H       0.23271    2.25213   -8.66966
H      -0.63131    1.68155   -3.37966
H      -0.23271   -2.25213    8.66966
H       2.12805   -0.57793    0.04269
H      -1.26403    3.35576   -5.33268
H      -2.12805    0.57793   -0.04269
H       1.26403   -3.35576    5.33268
H       0.42417   -0.39146    0.49893
H       0.43984    3.54222   -5.78892
H      -0.42417    0.39146   -0.49893
H      -0.43984   -3.54222    5.78892
H       1.70024    0.01236    1.66007
H      -0.83622    3.94605   -6.95006
H      -1.70024   -0.01236   -1.66007
H       0.83622   -3.94605    6.95006
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08389   -7.69046   -0.41844
O      -5.21987   -3.75676   -4.87156
O      -6.08389    7.69046    0.41844
O       5.21987    3.75676    4.87156
O       7.69696   -7.01578   -1.80291
O      -6.83294   -3.08209   -3.48708
O      -7.69696    7.01578    1.80291
O       6.83294    3.08209    3.48708
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.34229   -2.27856    2.51609
C       0.52173    1.65513   -7.80608
C      -0.34229    2.27856   -2.51609
C      -0.52173   -1.65513    7.80608
C       1.41273   -0.66814    0.86517
C      -0.54871    3.26555   -6.15516
C      -1.41273    0.66814   -0.86517
C       0.54871   -3.26555    6.15516
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.35661   -7.53844   -1.40695
H      -7.49259   -3.60474   -3.88304
H      -8.35661    7.53844    1.40695
H       7.49259    3.60474    3.88304
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.63174   -1.93862    2.15967
H       1.49576    1.99506   -7.44966
H       0.63174    1.93862   -2.15967
H      -1.49576   -1.99506    7.44966
H       0.25284   -3.32211    2.81406
H       0.61118    0.61157   -8.10406
H      -0.25284    3.32211   -2.81406
H      -0.61118   -0.61157    8.10406
H       0.63131   -1.68155    3.37966
H       0.23271    2.25213   -8.66966
H      -0.63131    1.68155   -3.37966
H      -0.23271   -2.25213    8.66966
H       2.12805   -0.57793    0.04269
H      -1.26403    3.35576   -5.33268
H      -2.12805    0.57793   -0.04269
H       1.26403   -3.35576    5.33268
H       0.42417   -0.39146    0.49893
H       0.43984    3.54222   -5.78892
H      -0.42417    0.39146   -0.49893
H      -0.43984   -3.54222    5.78892
H       1.70024    0.01236    1.66007
H      -0.83622    3.94605   -6.95006
H      -1.70024   -0.01236   -1.66007
H       0.83622   -3.94605    6.95006
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.11057   -7.67554   -0.41454
O      -5.24655   -3.74184   -4.87546
O      -6.11057    7.67554    0.41454
O       5.24655    3.74184    4.87546
O       7.70696   -6.99472   -1.81524
O      -6.84294   -3.06103   -3.47475
O      -7.70696    6.99472    1.81524
O       6.84294    3.06103    3.47475
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.29913   -2.55936    2.39801
C       0.56489    1.37432   -7.68800
C      -0.29913    2.55936   -2.39801
C      -0.56489   -1.37432    7.68800
C       1.33658   -0.59599    1.15957
C      -0.47256    3.33770   -6.44956
C      -1.33658    0.59599   -1.15957
C       0.47256   -3.33770    6.44956
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.35661   -7.53844   -1.40695
H      -7.49259   -3.60474   -3.88304
H      -8.35661    7.53844    1.40695
H       7.49259    3.60474    3.88304
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67699   -2.21376    2.05294
H       1.54100    1.71993   -7.34293
H       0.67699    2.21376   -2.05294
H      -1.54100   -1.71993    7.34293
H       0.26785   -3.64454    2.48295
H       0.59616    0.28915   -7.77294
H      -0.26785    3.64454   -2.48295
H      -0.59616   -0.28915    7.77294
H       0.50168   -2.12776    3.37699
H       0.36234    1.80592   -8.66698
H      -0.50168    2.12776   -3.37699
H      -0.36234   -1.80592    8.66698
H       2.08453   -0.30414    0.41682
H      -1.22052    3.62955   -5.70682
H      -2.08453    0.30414   -0.41682
H       1.22052   -3.62955    5.70682
H       0.35090   -0.31122    0.79178
H       0.51311    3.62246   -6.08177
H      -0.35090    0.31122   -0.79178
H      -0.51311   -3.62246    6.08177
H       1.53526   -0.06926    2.08731
H      -0.67124    3.86442   -7.37730
H      -1.53526    0.06926   -2.08731
H       0.67124   -3.86442    7.37730
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.11057   -7.67554   -0.41454
O      -5.24655   -3.74184   -4.87546
O      -6.11057    7.67554    0.41454
O       5.24655    3.74184    4.87546
O       7.70696   -6.99472   -1.81524
O      -6.84294   -3.06103   -3.47475
O      -7.70696    6.99472    1.81524
O       6.84294    3.06103    3.47475
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30922   -2.47851    2.43890
C       0.55479    1.45517   -7.72889
C      -0.30922    2.47851   -2.43890
C      -0.55479   -1.45517    7.72889
C       1.36128   -0.61077    1.07156
C      -0.49726    3.32291   -6.36155
C      -1.36128    0.61077   -1.07156
C       0.49726   -3.32291    6.36155
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.35661   -7.53844   -1.40695
H      -7.49259   -3.60474   -3.88304
H      -8.35661    7.53844    1.40695
H       7.49259    3.60474    3.88304
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66617   -2.13434    2.09037
H       1.53018    1.79935   -7.38037
H       0.66617    2.13434   -2.09037
H      -1.53018   -1.79935    7.38037
H       0.25921   -3.55613    2.58729
H       0.60481    0.37755   -7.87729
H      -0.25921    3.55613   -2.58729
H      -0.60481   -0.37755    7.87729
H       0.53690   -1.99509    3.38768
H       0.32712    1.93859   -8.67767
H      -0.53690    1.99509   -3.38768
H      -0.32712   -1.93859    8.67767
H       2.10143   -0.37709    0.30094
H      -1.23741    3.55660   -5.59093
H      -2.10143    0.37709   -0.30094
H       1.23741   -3.55660    5.59093
H       0.37480   -0.32845    0.70404
H       0.48922    3.60524   -5.99404
H      -0.37480    0.32845   -0.70404
H      -0.48922   -3.60524    5.99404
H       1.58596   -0.03530    1.96372
H      -0.72194    3.89839   -7.25372
H      -1.58596    0.03530   -1.96372
H       0.72194   -3.89839    7.25372
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.11057   -7.67554   -0.41454
O      -5.24655   -3.74184   -4.87546
O      -6.11057    7.67554    0.41454
O       5.24655    3.74184    4.87546
O       7.70696   -6.99472   -1.81524
O      -6.84294   -3.06103   -3.47475
O      -7.70696    6.99472    1.81524
O       6.84294    3.06103    3.47475
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30922   -2.47851    2.43890
C       0.55479    1.45517   -7.72889
C      -0.30922    2.47851   -2.43890
C      -0.55479   -1.45517    7.72889
C       1.36128   -0.61077    1.07156
C      -0.49726    3.32291   -6.36155
C      -1.36128    0.61077   -1.07156
C       0.49726   -3.32291    6.36155
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.35661   -7.53833   -1.40686
H      -7.49259   -3.60463   -3.88314
H      -8.35661    7.53833    1.40686
H       7.49259    3.60463    3.88314
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66617   -2.13434    2.09037
H       1.53018    1.79935   -7.38037
H       0.66617    2.13434   -2.09037
H      -1.53018   -1.79935    7.38037
H       0.25921   -3.55613    2.58729
H       0.60481    0.37755   -7.87729
H      -0.25921    3.55613   -2.58729
H      -0.60481   -0.37755    7.87729
H       0.53690   -1.99509    3.38768
H       0.32712    1.93859   -8.67767
H      -0.53690    1.99509   -3.38768
H      -0.32712   -1.93859    8.67767
H       2.10143   -0.37709    0.30094
H      -1.23741    3.55660   -5.59093
H      -2.10143    0.37709   -0.30094
H       1.23741   -3.55660    5.59093
H       0.37480   -0.32845    0.70404
H       0.48922    3.60524   -5.99404
H      -0.37480    0.32845   -0.70404
H      -0.48922   -3.60524    5.99404
H       1.58596   -0.03530    1.96372
H      -0.72194    3.89839   -7.25372
H      -1.58596    0.03530   -1.96372
H       0.72194   -3.89839    7.25372
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.11050   -7.67563   -0.41462
O      -5.24648   -3.74194   -4.87538
O      -6.11050    7.67563    0.41462
O       5.24648    3.74194    4.87538
O       7.70696   -6.99462   -1.81515
O      -6.84294   -3.06092   -3.47484
O      -7.70696    6.99462    1.81515
O       6.84294    3.06092    3.47484
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30922   -2.47851    2.43890
C       0.55479    1.45517   -7.72889
C      -0.30922    2.47851   -2.43890
C      -0.55479   -1.45517    7.72889
C       1.36128   -0.61077    1.07156
C      -0.49726    3.32291   -6.36155
C      -1.36128    0.61077   -1.07156
C       0.49726   -3.32291    6.36155
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.35778   -7.53438   -1.40326
H      -7.49376   -3.60068   -3.88674
H      -8.35778    7.53438    1.40326
H       7.49376    3.60068    3.88674
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66617   -2.13434    2.09037
H       1.53018    1.79935   -7.38037
H       0.66617    2.13434   -2.09037
H      -1.53018   -1.79935    7.38037
H       0.25921   -3.55613    2.58729
H       0.60481    0.37755   -7.87729
H      -0.25921    3.55613   -2.58729
H      -0.60481   -0.37755    7.87729
H       0.53690   -1.99509    3.38768
H       0.32712    1.93859   -8.67767
H      -0.53690    1.99509   -3.38768
H      -0.32712   -1.93859    8.67767
H       2.10143   -0.37709    0.30094
H      -1.23741    3.55660   -5.59093
H      -2.10143    0.37709   -0.30094
H       1.23741   -3.55660    5.59093
H       0.37480   -0.32845    0.70404
H       0.48922    3.60524   -5.99404
H      -0.37480    0.32845   -0.70404
H      -0.48922   -3.60524    5.99404
H       1.58596   -0.03530    1.96372
H      -0.72194    3.89839   -7.25372
H      -1.58596    0.03530   -1.96372
H       0.72194   -3.89839    7.25372
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.10925   -7.67912   -0.41756
O      -5.24523   -3.74543   -4.87243
O      -6.10925    7.67912    0.41756
O       5.24523    3.74543    4.87243
O       7.70815   -6.99075   -1.81171
O      -6.84413   -3.05706   -3.47829
O      -7.70815    6.99075    1.81171
O       6.84413    3.05706    3.47829
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30922   -2.47851    2.43890
C       0.55479    1.45517   -7.72889
C      -0.30922    2.47851   -2.43890
C      -0.55479   -1.45517    7.72889
C       1.36128   -0.61077    1.07156
C      -0.49726    3.32291   -6.36155
C      -1.36128    0.61077   -1.07156
C       0.49726   -3.32291    6.36155
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.38306   -7.43258   -1.30229
H      -7.51905   -3.49888   -3.98770
H      -8.38306    7.43258    1.30229
H       7.51905    3.49888    3.98770
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66617   -2.13434    2.09037
H       1.53018    1.79935   -7.38037
H       0.66617    2.13434   -2.09037
H      -1.53018   -1.79935    7.38037
H       0.25921   -3.55613    2.58729
H       0.60481    0.37755   -7.87729
H      -0.25921    3.55613   -2.58729
H      -0.60481   -0.37755    7.87729
H       0.53690   -1.99509    3.38768
H       0.32712    1.93859   -8.67767
H      -0.53690    1.99509   -3.38768
H      -0.32712   -1.93859    8.67767
H       2.10143   -0.37709    0.30094
H      -1.23741    3.55660   -5.59093
H      -2.10143    0.37709   -0.30094
H       1.23741   -3.55660    5.59093
H       0.37480   -0.32845    0.70404
H       0.48922    3.60524   -5.99404
H      -0.37480    0.32845   -0.70404
H      -0.48922   -3.60524    5.99404
H       1.58596   -0.03530    1.96372
H      -0.72194    3.89839   -7.25372
H      -1.58596    0.03530   -1.96372
H       0.72194   -3.89839    7.25372
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08250   -7.76945   -0.50084
O      -5.21848   -3.83576   -4.78915
O      -6.08250    7.76945    0.50084
O       5.21848    3.83576    4.78915
O       7.73430   -6.89108   -1.71492
O      -6.87029   -2.95739   -3.57507
O      -7.73430    6.89108    1.71492
O       6.87029    2.95739    3.57507
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30922   -2.47851    2.43890
C       0.55479    1.45517   -7.72889
C      -0.30922    2.47851   -2.43890
C      -0.55479   -1.45517    7.72889
C       1.36128   -0.61077    1.07156
C      -0.49726    3.32291   -6.36155
C      -1.36128    0.61077   -1.07156
C       0.49726   -3.32291    6.36155
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37403   -7.47418   -1.34556
H      -7.51001   -3.54049   -3.94444
H      -8.37403    7.47418    1.34556
H       7.51001    3.54049    3.94444
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66617   -2.13434    2.09037
H       1.53018    1.79935   -7.38037
H       0.66617    2.13434   -2.09037
H      -1.53018   -1.79935    7.38037
H       0.25921   -3.55613    2.58729
H       0.60481    0.37755   -7.87729
H      -0.25921    3.55613   -2.58729
H      -0.60481   -0.37755    7.87729
H       0.53690   -1.99509    3.38768
H       0.32712    1.93859   -8.67767
H      -0.53690    1.99509   -3.38768
H      -0.32712   -1.93859    8.67767
H       2.10143   -0.37709    0.30094
H      -1.23741    3.55660   -5.59093
H      -2.10143    0.37709   -0.30094
H       1.23741   -3.55660    5.59093
H       0.37480   -0.32845    0.70404
H       0.48922    3.60524   -5.99404
H      -0.37480    0.32845   -0.70404
H      -0.48922   -3.60524    5.99404
H       1.58596   -0.03530    1.96372
H      -0.72194    3.89839   -7.25372
H      -1.58596    0.03530   -1.96372
H       0.72194   -3.89839    7.25372
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.09227   -7.73244   -0.46504
O      -5.22825   -3.79875   -4.82495
O      -6.09227    7.73244    0.46504
O       5.22825    3.79875    4.82495
O       7.72486   -6.93184   -1.75643
O      -6.86084   -2.99815   -3.53356
O      -7.72486    6.93184    1.75643
O       6.86084    2.99815    3.53356
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30922   -2.47851    2.43890
C       0.55479    1.45517   -7.72889
C      -0.30922    2.47851   -2.43890
C      -0.55479   -1.45517    7.72889
C       1.36128   -0.61077    1.07156
C      -0.49726    3.32291   -6.36155
C      -1.36128    0.61077   -1.07156
C       0.49726   -3.32291    6.36155
C       1.39374   -2.13295    1.38510
C      -0.52972    1.80074   -6.67510
C      -1.39374    2.13295   -1.38510
C       0.52972   -1.80074    6.67510
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37482   -7.47072   -1.34207
H      -7.51080   -3.53702   -3.94793
H      -8.37482    7.47072    1.34207
H       7.51080    3.53702    3.94793
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66617   -2.13434    2.09037
H       1.53018    1.79935   -7.38037
H       0.66617    2.13434   -2.09037
H      -1.53018   -1.79935    7.38037
H       0.25921   -3.55613    2.58729
H       0.60481    0.37755   -7.87729
H      -0.25921    3.55613   -2.58729
H      -0.60481   -0.37755    7.87729
H       0.53690   -1.99509    3.38768
H       0.32712    1.93859   -8.67767
H      -0.53690    1.99509   -3.38768
H      -0.32712   -1.93859    8.67767
H       2.10143   -0.37709    0.30094
H      -1.23741    3.55660   -5.59093
H      -2.10143    0.37709   -0.30094
H       1.23741   -3.55660    5.59093
H       0.37480   -0.32845    0.70404
H       0.48922    3.60524   -5.99404
H      -0.37480    0.32845   -0.70404
H      -0.48922   -3.60524    5.99404
H       1.58596   -0.03530    1.96372
H      -0.72194    3.89839   -7.25372
H      -1.58596    0.03530   -1.96372
H       0.72194   -3.89839    7.25372
H       1.47461   -1.65245    0.40614
H      -0.61060    2.28124   -5.69614
H      -1.47461    1.65245   -0.40614
H       0.61060   -2.28124    5.69614
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.09136   -7.73551   -0.46792
O      -5.22734   -3.80182   -4.82207
O      -6.09136    7.73551    0.46792
O       5.22734    3.80182    4.82207
O       7.72568   -6.92845   -1.75308
O      -6.86166   -2.99476   -3.53691
O      -7.72568    6.92845    1.75308
O       6.86166    2.99476    3.53691
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30958   -2.48029    2.44084
C       0.55443    1.45340   -7.73083
C      -0.30958    2.48029   -2.44084
C      -0.55443   -1.45340    7.73083
C       1.35898   -0.61247    1.07156
C      -0.49496    3.32121   -6.36155
C      -1.35898    0.61247   -1.07156
C       0.49496   -3.32121    6.36155
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37482   -7.47072   -1.34207
H      -7.51080   -3.53702   -3.94793
H      -8.37482    7.47072    1.34207
H       7.51080    3.53702    3.94793
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.66637   -2.13714    2.09288
H       1.53039    1.79654   -7.38288
H       0.66637    2.13714   -2.09288
H      -1.53039   -1.79654    7.38288
H       0.26060   -3.55786    2.58992
H       0.60342    0.37582   -7.87991
H      -0.26060    3.55786   -2.58992
H      -0.60342   -0.37582    7.87991
H       0.53760   -1.99611    3.38915
H       0.32642    1.93757   -8.67914
H      -0.53760    1.99611   -3.38915
H      -0.32642   -1.93757    8.67914
H       2.09832   -0.37863    0.30021
H      -1.23430    3.55506   -5.59020
H      -2.09832    0.37863   -0.30021
H       1.23430   -3.55506    5.59020
H       0.37197   -0.33121    0.70465
H       0.49205    3.60248   -5.99465
H      -0.37197    0.33121   -0.70465
H      -0.49205   -3.60248    5.99465
H       1.58388   -0.03627    1.96320
H      -0.71986    3.89741   -7.25320
H      -1.58388    0.03627   -1.96320
H       0.71986   -3.89741    7.25320
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.09136   -7.73551   -0.46792
O      -5.22734   -3.80182   -4.82207
O      -6.09136    7.73551    0.46792
O       5.22734    3.80182    4.82207
O       7.72568   -6.92845   -1.75308
O      -6.86166   -2.99476   -3.53691
O      -7.72568    6.92845    1.75308
O       6.86166    2.99476    3.53691
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30515   -2.51357    2.42476
C       0.55887    1.42012   -7.71476
C      -0.30515    2.51357   -2.42476
C      -0.55887   -1.42012    7.71476
C       1.34908   -0.60575    1.10744
C      -0.48506    3.32794   -6.39743
C      -1.34908    0.60575   -1.10744
C       0.48506   -3.32794    6.39743
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37482   -7.47072   -1.34207
H      -7.51080   -3.53702   -3.94793
H      -8.37482    7.47072    1.34207
H       7.51080    3.53702    3.94793
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67109   -2.16982    2.07820
H       1.53511    1.76387   -7.36820
H       0.67109    2.16982   -2.07820
H      -1.53511   -1.76387    7.36820
H       0.26364   -3.59472    2.54795
H       0.60037    0.33896   -7.83794
H      -0.26364    3.59472   -2.54795
H      -0.60037   -0.33896    7.83794
H       0.52287   -2.05027    3.38584
H       0.34114    1.88341   -8.67583
H      -0.52287    2.05027   -3.38584
H      -0.34114   -1.88341    8.67583
H       2.09179   -0.34797    0.34702
H      -1.22777    3.58572   -5.63702
H      -2.09179    0.34797   -0.34702
H       1.22777   -3.58572    5.63702
H       0.36240   -0.32349    0.74040
H       0.50162    3.61020   -6.03039
H      -0.36240    0.32349   -0.74040
H      -0.50162   -3.61020    6.03039
H       1.56335   -0.04914    2.01402
H      -0.69933    3.88454   -7.30401
H      -1.56335    0.04914   -2.01402
H       0.69933   -3.88454    7.30401
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.09136   -7.73551   -0.46792
O      -5.22734   -3.80182   -4.82207
O      -6.09136    7.73551    0.46792
O       5.22734    3.80182    4.82207
O       7.72568   -6.92845   -1.75308
O      -6.86166   -2.99476   -3.53691
O      -7.72568    6.92845    1.75308
O       6.86166    2.99476    3.53691
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30515   -2.51357    2.42476
C       0.55887    1.42012   -7.71476
C      -0.30515    2.51357   -2.42476
C      -0.55887   -1.42012    7.71476
C       1.34908   -0.60575    1.10744
C      -0.48506    3.32794   -6.39743
C      -1.34908    0.60575   -1.10744
C       0.48506   -3.32794    6.39743
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37903   -7.45190   -1.32275
H      -7.51501   -3.51821   -3.96724
H      -8.37903    7.45190    1.32275
H       7.51501    3.51821    3.96724
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67109   -2.16982    2.07820
H       1.53511    1.76387   -7.36820
H       0.67109    2.16982   -2.07820
H      -1.53511   -1.76387    7.36820
H       0.26364   -3.59472    2.54795
H       0.60037    0.33896   -7.83794
H      -0.26364    3.59472   -2.54795
H      -0.60037   -0.33896    7.83794
H       0.52287   -2.05027    3.38584
H       0.34114    1.88341   -8.67583
H      -0.52287    2.05027   -3.38584
H      -0.34114   -1.88341    8.67583
H       2.09179   -0.34797    0.34702
H      -1.22777    3.58572   -5.63702
H      -2.09179    0.34797   -0.34702
H       1.22777   -3.58572    5.63702
H       0.36240   -0.32349    0.74040
H       0.50162    3.61020   -6.03039
H      -0.36240    0.32349   -0.74040
H      -0.50162   -3.61020    6.03039
H       1.56335   -0.04914    2.01402
H      -0.69933    3.88454   -7.30401
H      -1.56335    0.04914   -2.01402
H       0.69933   -3.88454    7.30401
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08674   -7.75223   -0.48389
O      -5.22273   -3.81854   -4.80611
O      -6.08674    7.75223    0.48389
O       5.22273    3.81854    4.80611
O       7.73007   -6.91002   -1.73456
O      -6.86605   -2.97633   -3.55543
O      -7.73007    6.91002    1.73456
O       6.86605    2.97633    3.55543
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42913   -6.97824   -1.37529
C      -5.56511   -3.04455   -3.91470
C      -6.42913    6.97824    1.37529
C       5.56511    3.04455    3.91470
C       6.07063   -5.24214   -3.19893
C      -5.20661   -1.30845   -2.09107
C      -6.07063    5.24214    3.19893
C       5.20661    1.30845    2.09107
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.29997   -2.55613    2.40273
C       0.56405    1.37756   -7.69272
C      -0.29997    2.55613   -2.40273
C      -0.56405   -1.37756    7.69272
C       1.33583   -0.59842    1.15401
C      -0.47181    3.33526   -6.44401
C      -1.33583    0.59842   -1.15401
C       0.47181   -3.33526    6.44401
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37903   -7.45190   -1.32275
H      -7.51501   -3.51821   -3.96724
H      -8.37903    7.45190    1.32275
H       7.51501    3.51821    3.96724
H       6.85456   -4.58591   -2.81786
H      -5.99054   -0.65221   -2.47213
H      -6.85456    4.58591    2.81786
H       5.99054    0.65221    2.47213
H       6.50524   -5.92038   -3.93719
H      -5.64122   -1.98668   -1.35280
H      -6.50524    5.92038    3.93719
H       5.64122    1.98668    1.35280
H       5.30675   -4.63429   -3.68837
H      -4.44273   -0.70060   -1.60162
H      -5.30675    4.63429    3.68837
H       4.44273    0.70060    1.60162
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67666   -2.21164    2.05801
H       1.54068    1.72205   -7.34800
H       0.67666    2.21164   -2.05801
H      -1.54068   -1.72205    7.34800
H       0.26846   -3.64092    2.49235
H       0.59556    0.29277   -7.78235
H      -0.26846    3.64092   -2.49235
H      -0.59556   -0.29277    7.78235
H       0.50449   -2.12043    3.37948
H       0.35953    1.81325   -8.66948
H      -0.50449    2.12043   -3.37948
H      -0.35953   -1.81325    8.66948
H       2.08251   -0.31001    0.40864
H      -1.21849    3.62368   -5.69863
H      -2.08251    0.31001   -0.40864
H       1.21849   -3.62368    5.69863
H       0.34957   -0.31487    0.78684
H       0.51445    3.61881   -6.07683
H      -0.34957    0.31487   -0.78684
H      -0.51445   -3.61881    6.07683
H       1.53642   -0.06783    2.07913
H      -0.67240    3.86586   -7.36912
H      -1.53642    0.06783   -2.07913
H       0.67240   -3.86586    7.36912
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08674   -7.75223   -0.48389
O      -5.22273   -3.81854   -4.80611
O      -6.08674    7.75223    0.48389
O       5.22273    3.81854    4.80611
O       7.73007   -6.91002   -1.73456
O      -6.86605   -2.97633   -3.55543
O      -7.73007    6.91002    1.73456
O       6.86605    2.97633    3.55543
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42676   -6.98044   -1.37483
C      -5.56275   -3.04674   -3.91516
C      -6.42676    6.98044    1.37483
C       5.56275    3.04674    3.91516
C       6.07343   -5.24199   -3.19724
C      -5.20941   -1.30829   -2.09276
C      -6.07343    5.24199    3.19724
C       5.20941    1.30829    2.09276
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.29997   -2.55613    2.40273
C       0.56405    1.37756   -7.69272
C      -0.29997    2.55613   -2.40273
C      -0.56405   -1.37756    7.69272
C       1.33583   -0.59842    1.15401
C      -0.47181    3.33526   -6.44401
C      -1.33583    0.59842   -1.15401
C       0.47181   -3.33526    6.44401
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37586   -7.45714   -1.32009
H      -7.51184   -3.52344   -3.96990
H      -8.37586    7.45714    1.32009
H       7.51184    3.52344    3.96990
H       6.85785   -4.58733   -2.81445
H      -5.99383   -0.65364   -2.47554
H      -6.85785    4.58733    2.81445
H       5.99383    0.65364    2.47554
H       6.50801   -5.92017   -3.93558
H      -5.64399   -1.98647   -1.35442
H      -6.50801    5.92017    3.93558
H       5.64399    1.98647    1.35442
H       5.31116   -4.63249   -3.68713
H      -4.44714   -0.69879   -1.60287
H      -5.31116    4.63249    3.68713
H       4.44714    0.69879    1.60287
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67666   -2.21164    2.05801
H       1.54068    1.72205   -7.34800
H       0.67666    2.21164   -2.05801
H      -1.54068   -1.72205    7.34800
H       0.26846   -3.64092    2.49235
H       0.59556    0.29277   -7.78235
H      -0.26846    3.64092   -2.49235
H      -0.59556   -0.29277    7.78235
H       0.50449   -2.12043    3.37948
H       0.35953    1.81325   -8.66948
H      -0.50449    2.12043   -3.37948
H      -0.35953   -1.81325    8.66948
H       2.08251   -0.31001    0.40864
H      -1.21849    3.62368   -5.69863
H      -2.08251    0.31001   -0.40864
H       1.21849   -3.62368    5.69863
H       0.34957   -0.31487    0.78684
H       0.51445    3.61881   -6.07683
H      -0.34957    0.31487   -0.78684
H      -0.51445   -3.61881    6.07683
H       1.53642   -0.06783    2.07913
H      -0.67240    3.86586   -7.36912
H      -1.53642    0.06783   -2.07913
H       0.67240   -3.86586    7.36912
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08197   -7.75478   -0.48466
O      -5.21796   -3.82109   -4.80533
O      -6.08197    7.75478    0.48466
O       5.21796    3.82109    4.80533
O       7.72830   -6.91386   -1.73225
O      -6.86428   -2.98016   -3.55774
O      -7.72830    6.91386    1.73225
O       6.86428    2.98016    3.55774
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42676   -6.98044   -1.37483
C      -5.56275   -3.04674   -3.91516
C      -6.42676    6.98044    1.37483
C       5.56275    3.04674    3.91516
C       6.07343   -5.24199   -3.19724
C      -5.20941   -1.30829   -2.09276
C      -6.07343    5.24199    3.19724
C       5.20941    1.30829    2.09276
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30454   -2.51765    2.42271
C       0.55947    1.41603   -7.71271
C      -0.30454    2.51765   -2.42271
C      -0.55947   -1.41603    7.71271
C       1.34776   -0.60498    1.11189
C      -0.48374    3.32871   -6.40188
C      -1.34776    0.60498   -1.11189
C       0.48374   -3.32871    6.40188
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37586   -7.45714   -1.32009
H      -7.51184   -3.52344   -3.96990
H      -8.37586    7.45714    1.32009
H       7.51184    3.52344    3.96990
H       6.85785   -4.58733   -2.81445
H      -5.99383   -0.65364   -2.47554
H      -6.85785    4.58733    2.81445
H       5.99383    0.65364    2.47554
H       6.50801   -5.92017   -3.93558
H      -5.64399   -1.98647   -1.35442
H      -6.50801    5.92017    3.93558
H       5.64399    1.98647    1.35442
H       5.31116   -4.63249   -3.68713
H      -4.44714   -0.69879   -1.60287
H      -5.31116    4.63249    3.68713
H       4.44714    0.69879    1.60287
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67173   -2.17383    2.07633
H       1.53575    1.75985   -7.36633
H       0.67173    2.17383   -2.07633
H      -1.53575   -1.75985    7.36633
H       0.26398   -3.59921    2.54269
H       0.60004    0.33448   -7.83268
H      -0.26398    3.59921   -2.54269
H      -0.60004   -0.33448    7.83268
H       0.52100   -2.05698    3.38533
H       0.34302    1.87671   -8.67533
H      -0.52100    2.05698   -3.38533
H      -0.34302   -1.87671    8.67533
H       2.09087   -0.34425    0.35287
H      -1.22685    3.58944   -5.64287
H      -2.09087    0.34425   -0.35287
H       1.22685   -3.58944    5.64287
H       0.36112   -0.32260    0.74483
H       0.50290    3.61109   -6.03483
H      -0.36112    0.32260   -0.74483
H      -0.50290   -3.61109    6.03483
H       1.56071   -0.05083    2.02028
H      -0.69669    3.88286   -7.31027
H      -1.56071    0.05083   -2.02028
H       0.69669   -3.88286    7.31027
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08197   -7.75478   -0.48466
O      -5.21796   -3.82109   -4.80533
O      -6.08197    7.75478    0.48466
O       5.21796    3.82109    4.80533
O       7.72830   -6.91386   -1.73225
O      -6.86428   -2.98016   -3.55774
O      -7.72830    6.91386    1.73225
O       6.86428    2.98016    3.55774
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42676   -6.98044   -1.37483
C      -5.56275   -3.04674   -3.91516
C      -6.42676    6.98044    1.37483
C       5.56275    3.04674    3.91516
C       6.07343   -5.24199   -3.19724
C      -5.20941   -1.30829   -2.09276
C      -6.07343    5.24199    3.19724
C       5.20941    1.30829    2.09276
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30103   -2.54619    2.40802
C       0.56299    1.38749   -7.69801
C      -0.30103    2.54619   -2.40802
C      -0.56299   -1.38749    7.69801
C       1.33889   -0.60000    1.14308
C      -0.47487    3.33369   -6.43307
C      -1.33889    0.60000   -1.14308
C       0.47487   -3.33369    6.43307
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37586   -7.45714   -1.32009
H      -7.51184   -3.52344   -3.96990
H      -8.37586    7.45714    1.32009
H       7.51184    3.52344    3.96990
H       6.85785   -4.58733   -2.81445
H      -5.99383   -0.65364   -2.47554
H      -6.85785    4.58733    2.81445
H       5.99383    0.65364    2.47554
H       6.50801   -5.92017   -3.93558
H      -5.64399   -1.98647   -1.35442
H      -6.50801    5.92017    3.93558
H       5.64399    1.98647    1.35442
H       5.31116   -4.63249   -3.68713
H      -4.44714   -0.69879   -1.60287
H      -5.31116    4.63249    3.68713
H       4.44714    0.69879    1.60287
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67550   -2.20188    2.06287
H       1.53952    1.73181   -7.35286
H       0.67550    2.20188   -2.06287
H      -1.53952   -1.73181    7.35286
H       0.26715   -3.63023    2.50552
H       0.59687    0.30345   -7.79551
H      -0.26715    3.63023   -2.50552
H      -0.59687   -0.30345    7.79551
H       0.50863   -2.10397    3.38119
H       0.35539    1.82971   -8.67118
H      -0.50863    2.10397   -3.38119
H      -0.35539   -1.82971    8.67118
H       2.08468   -0.31874    0.39409
H      -1.22067    3.61495   -5.68409
H      -2.08468    0.31874   -0.39409
H       1.22067   -3.61495    5.68409
H       0.35254   -0.31675    0.77593
H       0.51148    3.61693   -6.06593
H      -0.35254    0.31675   -0.77593
H      -0.51148   -3.61693    6.06593
H       1.54267   -0.06324    2.06393
H      -0.67866    3.87045   -7.35393
H      -1.54267    0.06324   -2.06393
H       0.67866   -3.87045    7.35393
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08197   -7.75478   -0.48466
O      -5.21796   -3.82109   -4.80533
O      -6.08197    7.75478    0.48466
O       5.21796    3.82109    4.80533
O       7.72830   -6.91386   -1.73225
O      -6.86428   -2.98016   -3.55774
O      -7.72830    6.91386    1.73225
O       6.86428    2.98016    3.55774
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.42676   -6.98044   -1.37483
C      -5.56275   -3.04674   -3.91516
C      -6.42676    6.98044    1.37483
C       5.56275    3.04674    3.91516
C       6.07343   -5.24199   -3.19724
C      -5.20941   -1.30829   -2.09276
C      -6.07343    5.24199    3.19724
C       5.20941    1.30829    2.09276
C       5.43089   -6.06284   -2.04789
C      -4.56687   -2.12914   -3.24211
C      -5.43089    6.06284    2.04789
C       4.56687    2.12914    3.24211
C       0.30103   -2.54619    2.40802
C       0.56299    1.38749   -7.69801
C      -0.30103    2.54619   -2.40802
C      -0.56299   -1.38749    7.69801
C       1.33889   -0.60000    1.14308
C      -0.47487    3.33369   -6.43307
C      -1.33889    0.60000   -1.14308
C       0.47487   -3.33369    6.43307
C       1.39298   -2.13444    1.38598
C      -0.52896    1.79925   -6.67598
C      -1.39298    2.13444   -1.38598
C       0.52896   -1.79925    6.67598
C       2.81788   -2.54935    1.85533
C      -1.95387    1.38433   -7.14532
C      -2.81788    2.54935   -1.85533
C       1.95387   -1.38433    7.14532
C       5.30411   -3.88108   -0.73193
C      -4.44009    0.05261   -4.55806
C      -5.30411    3.88108    0.73193
C       4.44009   -0.05261    4.55806
C       4.67962   -3.04808    0.20507
C      -3.81560    0.88561   -5.49507
C      -4.67962    3.04808   -0.20507
C       3.81560   -0.88561    5.49507
C       4.77293   -5.15121   -1.02666
C      -3.90891   -1.21751   -4.26334
C      -4.77293    5.15121    1.02666
C       3.90891    1.21751    4.26334
C       3.60131   -5.56215   -0.36949
C      -2.73729   -1.62846   -4.92050
C      -3.60131    5.56215    0.36949
C       2.73729    1.62846    4.92050
C       3.51154   -3.46844    0.87151
C      -2.64752    0.46525   -6.16150
C      -3.51154    3.46844   -0.87151
C       2.64752   -0.46525    6.16150
C       2.97527   -4.73144    0.56869
C      -2.11126   -0.79775   -5.85868
C      -2.97527    4.73144   -0.56869
C       2.11126    0.79775    5.85868
H       8.37584   -7.45707   -1.32003
H      -7.51182   -3.52338   -3.96997
H      -8.37584    7.45707    1.32003
H       7.51182    3.52338    3.96997
H       6.85785   -4.58733   -2.81445
H      -5.99383   -0.65364   -2.47554
H      -6.85785    4.58733    2.81445
H       5.99383    0.65364    2.47554
H       6.50801   -5.92017   -3.93558
H      -5.64399   -1.98647   -1.35442
H      -6.50801    5.92017    3.93558
H       5.64399    1.98647    1.35442
H       5.31116   -4.63249   -3.68713
H      -4.44714   -0.69879   -1.60287
H      -5.31116    4.63249    3.68713
H       4.44714    0.69879    1.60287
H       4.90244   -7.01940   -2.06105
H      -4.03842   -3.08570   -3.22894
H      -4.90244    7.01940    2.06105
H       4.03842    3.08570    3.22894
H      -0.67550   -2.20188    2.06287
H       1.53952    1.73181   -7.35286
H       0.67550    2.20188   -2.06287
H      -1.53952   -1.73181    7.35286
H       0.26715   -3.63023    2.50552
H       0.59687    0.30345   -7.79551
H      -0.26715    3.63023   -2.50552
H      -0.59687   -0.30345    7.79551
H       0.50863   -2.10397    3.38119
H       0.35539    1.82971   -8.67118
H      -0.50863    2.10397   -3.38119
H      -0.35539   -1.82971    8.67118
H       2.08468   -0.31874    0.39409
H      -1.22067    3.61495   -5.68409
H      -2.08468    0.31874   -0.39409
H       1.22067   -3.61495    5.68409
H       0.35254   -0.31675    0.77593
H       0.51148    3.61693   -6.06593
H      -0.35254    0.31675   -0.77593
H      -0.51148   -3.61693    6.06593
H       1.54267   -0.06324    2.06393
H      -0.67866    3.87045   -7.35393
H      -1.54267    0.06324   -2.06393
H       0.67866   -3.87045    7.35393
H       1.47267   -1.65445    0.40667
H      -0.60865    2.27924   -5.69667
H      -1.47267    1.65445   -0.40667
H       0.60865   -2.27924    5.69667
H       2.15286   -3.13346    2.49354
H      -1.28885    0.80022   -7.78354
H      -2.15286    3.13346   -2.49354
H       1.28885   -0.80022    7.78354
H       3.58307   -2.09633    2.49709
H      -2.71906    1.83736   -7.78709
H      -3.58307    2.09633   -2.49709
H       2.71906   -1.83736    7.78709
H       6.17260   -3.54261   -1.21744
H      -5.30858    0.39109   -4.07256
H      -6.17260    3.54261    1.21744
H       5.30858   -0.39109    4.07256
H       5.08769   -2.10159    0.40898
H      -4.22367    1.83210   -5.69897
H      -5.08769    2.10159   -0.40898
H       4.22367   -1.83210    5.69897
H       3.17959   -6.50319   -0.58067
H      -2.31557   -2.56950   -4.70933
H      -3.17959    6.50319    0.58067
H       2.31557    2.56950    4.70933
H       2.09775   -5.05759    1.04340
H      -1.23374   -1.12390   -6.33340
H      -2.09775    5.05759   -1.04340
H       1.23374    1.12390    6.33340
O       6.08192   -7.75483   -0.48472
O      -5.21791   -3.82114   -4.80528
O      -6.08192    7.75483    0.48472
O       5.21791    3.82114    4.80528
O       7.72828   -6.91379   -1.73219
O      -6.86426   -2.98010   -3.55780
O      -7.72828    6.91379    1.73219
O       6.86426    2.98010    3.55780
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062   -7.06691   -1.42223
C      -5.43661   -3.13322   -3.86776
C      -6.30062    7.06691    1.42223
C       5.43661    3.13322    3.86776
C       5.92752   -5.34542   -3.25675
C      -5.06350   -1.41172   -2.03324
C      -5.92752    5.34542    3.25675
C       5.06350    1.41172    2.03324
C       5.30506   -6.13382   -2.07412
C      -4.44104   -2.20013   -3.21588
C      -5.30506    6.13382    2.07412
C       4.44104    2.20013    3.21588
C       0.42145   -2.42748    2.50310
C       0.44257    1.50620   -7.79309
C      -0.42145    2.42748   -2.50310
C      -0.44257   -1.50620    7.79309
C       1.46275   -0.52579    1.17488
C      -0.59873    3.40790   -6.46488
C      -1.46275    0.52579   -1.17488
C       0.59873   -3.40790    6.46488
C       1.48718   -2.05760    1.43827
C      -0.62316    1.87608   -6.72826
C      -1.48718    2.05760   -1.43827
C       0.62316   -1.87608    6.72826
C       2.91678   -2.50187    1.86449
C      -2.05276    1.43181   -7.15448
C      -2.91678    2.50187   -1.86449
C       2.05276   -1.43181    7.15448
C       5.27807   -3.93160   -0.78673
C      -4.41406    0.00210   -4.50326
C      -5.27807    3.93160    0.78673
C       4.41406   -0.00210    4.50326
C       4.70727   -3.07023    0.15882
C      -3.84325    0.86346   -5.44882
C      -4.70727    3.07023   -0.15882
C       3.84325   -0.86346    5.44882
C       4.70568   -5.19184   -1.04440
C      -3.84166   -1.25815   -4.24560
C      -4.70568    5.19184    1.04440
C       3.84166    1.25815    4.24560
C       3.54772   -5.56394   -0.34146
C      -2.68371   -1.63025   -4.94853
C      -3.54772    5.56394    0.34146
C       2.68371    1.63025    4.94853
C       3.55293   -3.45169    0.87104
C      -2.68891    0.48200   -6.16103
C      -3.55293    3.45169   -0.87104
C       2.68891   -0.48200    6.16103
C       2.97536   -4.70480    0.60535
C      -2.11134   -0.77111   -5.89535
C      -2.97536    4.70480   -0.60535
C       2.11134    0.77111    5.89535
H       8.23802   -7.59185   -1.42734
H      -7.37400   -3.65816   -3.86265
H      -8.23802    7.59185    1.42734
H       7.37400    3.65816    3.86265
H       6.74071   -4.70557   -2.91075
H      -5.87670   -0.77187   -2.37925
H      -6.74071    4.70557    2.91075
H       5.87670    0.77187    2.37925
H       6.31931   -6.04449   -3.99953
H      -5.45529   -2.11079   -1.29046
H      -6.31931    6.04449    3.99953
H       5.45529    2.11079    1.29046
H       5.16406   -4.72367   -3.72909
H      -4.30004   -0.78997   -1.56091
H      -5.16406    4.72367    3.72909
H       4.30004    0.78997    1.56091
H       4.75293   -7.07681   -2.05511
H      -3.88891   -3.14312   -3.23489
H      -4.75293    7.07681    2.05511
H       3.88891    3.14312    3.23489
H      -0.55763   -2.06340    2.18663
H       1.42165    1.87029   -7.47663
H       0.55763    2.06340   -2.18663
H      -1.42165   -1.87029    7.47663
H       0.36412   -3.50887    2.61759
H       0.49990    0.42481   -7.90759
H      -0.36412    3.50887   -2.61759
H      -0.49990   -0.42481    7.90759
H       0.67355   -1.97725    3.46197
H       0.19047    1.95643   -8.75197
H      -0.67355    1.97725   -3.46197
H      -0.19047   -1.95643    8.75197
H       2.18887   -0.27383    0.39670
H      -1.32485    3.65986   -5.68670
H      -2.18887    0.27383   -0.39670
H       1.32485   -3.65986    5.68670
H       0.47158   -0.22280    0.83767
H       0.39244    3.71089   -6.12767
H      -0.47158    0.22280   -0.83767
H      -0.39244   -3.71089    6.12767
H       1.71156    0.01831    2.08023
H      -0.84755    3.95200   -7.37022
H      -1.71156   -0.01831   -2.08023
H       0.84755   -3.95200    7.37022
H       1.54475   -1.59335    0.44987
H      -0.68073    2.34034   -5.73986
H      -1.54475    1.59335   -0.44987
H       0.68073   -2.34034    5.73986
H       2.26001   -3.06012    2.53364
H      -1.39599    0.87356   -7.82364
H      -2.26001    3.06012   -2.53364
H       1.39599   -0.87356    7.82364
H       3.71475   -2.05951    2.47291
H      -2.85073    1.87417   -7.76291
H      -3.71475    2.05951   -2.47291
H       2.85073   -1.87417    7.76291
H       6.13733   -3.62191   -1.30666
H      -5.27331    0.31178   -3.98334
H      -6.13733    3.62191    1.30666
H       5.27331   -0.31178    3.98334
H       5.14548   -2.13162    0.33471
H      -4.28147    1.80207   -5.62470
H      -5.14548    2.13162   -0.33471
H       4.28147   -1.80207    5.62470
H       3.09575   -6.49684   -0.52422
H      -2.23173   -2.56315   -4.76578
H      -3.09575    6.49684    0.52422
H       2.23173    2.56315    4.76578
H       2.10701   -5.00208    1.11463
H      -1.24299   -1.06839   -6.40463
H      -2.10701    5.00208   -1.11463
H       1.24299    1.06839    6.40463
O       5.96776   -7.81999   -0.50954
O      -5.10374   -3.88629   -4.78045
O      -5.96776    7.81999    0.50954
O       5.10374    3.88629    4.78045
O       7.59022   -7.03812   -1.82497
O      -6.72621   -3.10442   -3.46502
O      -7.59022    7.03812    1.82497
O       6.72621    3.10442    3.46502
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062   -7.06691   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062    7.06691    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752   -5.34542   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752    5.34542    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506   -6.13382   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506    6.13382    2.07412
C       6.16908    2.20011   -7.36411
C       0.40272   -2.56072    2.42689
C      -1.26674    1.37297    2.86311
C      -0.40272    2.56072   -2.42689
C       1.26674   -1.37297   -2.86311
C       1.42306   -0.50851    1.32587
C      -2.28708    3.42519    3.96412
C      -1.42306    0.50851   -1.32587
C       2.28708   -3.42519   -3.96412
C       1.48718   -2.05760    1.43827
C      -2.35120    1.87610    3.85173
C      -1.48718    2.05760   -1.43827
C       2.35120   -1.87610   -3.85173
C       2.91678   -2.50187    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678    2.50187   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807   -3.93160   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807    3.93160    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727   -3.07023    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727    3.07023   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568   -5.19184   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568    5.19184    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772   -5.56394   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772    5.56394    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293   -3.45169    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293    3.45169   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536   -4.70480    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536    4.70480   -0.60535
C       3.83938    0.77110   -4.68464
H       8.23802   -7.59185   -1.42734
H      -9.10204   -3.65814    6.71734
H      -8.23802    7.59185    1.42734
H       9.10204    3.65814   -6.71734
H       6.74071   -4.70557   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071    4.70557    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931   -6.04449   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931    6.04449    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406   -4.72367   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406    4.72367    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293   -7.07681   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293    7.07681    2.05511
H       5.61695    3.14310   -7.34510
H      -0.57749   -2.19452    2.11643
H      -0.28653    1.73918    3.17357
H       0.57749    2.19452   -2.11643
H       0.28653   -1.73918   -3.17357
H       0.37553   -3.64931    2.43278
H      -1.23955    0.28439    2.85722
H      -0.37553    3.64931   -2.43278
H       1.23955   -0.28439   -2.85722
H       0.61268   -2.20085    3.43292
H      -1.47670    1.73285    1.85707
H      -0.61268    2.20085   -3.43292
H       1.47670   -1.73285   -1.85707
H       2.16345   -0.16055    0.59989
H      -3.02747    3.77315    4.69010
H      -2.16345    0.16055   -0.59989
H       3.02747   -3.77315   -4.69010
H       0.43327   -0.20137    0.98839
H      -1.29729    3.73233    4.30160
H      -0.43327    0.20137   -0.98839
H       1.29729   -3.73233   -4.30160
H       1.62840   -0.05005    2.28777
H      -2.49242    3.88365    3.00222
H      -1.62840    0.05005   -2.28777
H       2.49242   -3.88365   -3.00222
H       1.54475   -1.59335    0.44987
H      -2.40877    2.34035    4.84013
H      -1.54475    1.59335   -0.44987
H       2.40877   -2.34035   -4.84013
H       2.26001   -3.06012    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001    3.06012   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475   -2.05951    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475    2.05951   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733   -3.62191   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733    3.62191    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548   -2.13162    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548    2.13162   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575   -6.49684   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575    6.49684    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701   -5.00208    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701    5.00208   -1.11463
H       2.97103    1.06838   -4.17536
O       5.96776   -7.81999   -0.50954
O      -6.83178   -3.88628    5.79954
O      -5.96776    7.81999    0.50954
O       6.83178    3.88628   -5.79954
O       7.59022   -7.03812   -1.82497
O      -8.45424   -3.10441    7.11497
O      -7.59022    7.03812    1.82497
O       8.45424    3.10441   -7.11497
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062   -7.06691   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062    7.06691    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752   -5.34542   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752    5.34542    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506   -6.13382   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506    6.13382    2.07412
C       6.16908    2.20011   -7.36411
C       0.40272   -2.56072    2.42689
C      -1.26674    1.37297    2.86311
C      -0.40272    2.56072   -2.42689
C       1.26674   -1.37297   -2.86311
C       1.42306   -0.50851    1.32587
C      -2.28708    3.42519    3.96412
C      -1.42306    0.50851   -1.32587
C       2.28708   -3.42519   -3.96412
C       1.48718   -2.05760    1.43827
C      -2.35120    1.87610    3.85173
C      -1.48718    2.05760   -1.43827
C       2.35120   -1.87610   -3.85173
C       2.91678   -2.50187    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678    2.50187   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807   -3.93160   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807    3.93160    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727   -3.07023    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727    3.07023   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568   -5.19184   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568    5.19184    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772   -5.56394   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772    5.56394    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293   -3.45169    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293    3.45169   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536   -4.70480    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536    4.70480   -0.60535
C       3.83938    0.77110   -4.68464
H       8.17906   -7.75769   -1.57474
H      -9.04308   -3.82399    6.86473
H      -8.17906    7.75769    1.57474
H       9.04308    3.82399   -6.86473
H       6.74071   -4.70557   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071    4.70557    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931   -6.04449   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931    6.04449    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406   -4.72367   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406    4.72367    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293   -7.07681   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293    7.07681    2.05511
H       5.61695    3.14310   -7.34510
H      -0.57749   -2.19452    2.11643
H      -0.28653    1.73918    3.17357
H       0.57749    2.19452   -2.11643
H       0.28653   -1.73918   -3.17357
H       0.37553   -3.64931    2.43278
H      -1.23955    0.28439    2.85722
H      -0.37553    3.64931   -2.43278
H       1.23955   -0.28439   -2.85722
H       0.61268   -2.20085    3.43292
H      -1.47670    1.73285    1.85707
H      -0.61268    2.20085   -3.43292
H       1.47670   -1.73285   -1.85707
H       2.16345   -0.16055    0.59989
H      -3.02747    3.77315    4.69010
H      -2.16345    0.16055   -0.59989
H       3.02747   -3.77315   -4.69010
H       0.43327   -0.20137    0.98839
H      -1.29729    3.73233    4.30160
H      -0.43327    0.20137   -0.98839
H       1.29729   -3.73233   -4.30160
H       1.62840   -0.05005    2.28777
H      -2.49242    3.88365    3.00222
H      -1.62840    0.05005   -2.28777
H       2.49242   -3.88365   -3.00222
H       1.54475   -1.59335    0.44987
H      -2.40877    2.34035    4.84013
H      -1.54475    1.59335   -0.44987
H       2.40877   -2.34035   -4.84013
H       2.26001   -3.06012    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001    3.06012   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475   -2.05951    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475    2.05951   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733   -3.62191   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733    3.62191    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548   -2.13162    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548    2.13162   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575   -6.49684   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575    6.49684    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701   -5.00208    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701    5.00208   -1.11463
H       2.97103    1.06838   -4.17536
O       6.02600   -7.67366   -0.38909
O      -6.89002   -3.73996    5.67909
O      -6.02600    7.67366    0.38909
O       6.89002    3.73996   -5.67909
O       7.53054   -7.20022   -1.96589
O      -8.39455   -3.26651    7.25588
O      -7.53054    7.20022    1.96589
O       8.39455    3.26651   -7.25588
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062   -7.06691   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062    7.06691    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752   -5.34542   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752    5.34542    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506   -6.13382   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506    6.13382    2.07412
C       6.16908    2.20011   -7.36411
C       0.40272   -2.56072    2.42689
C      -1.26674    1.37297    2.86311
C      -0.40272    2.56072   -2.42689
C       1.26674   -1.37297   -2.86311
C       1.42306   -0.50851    1.32587
C      -2.28708    3.42519    3.96412
C      -1.42306    0.50851   -1.32587
C       2.28708   -3.42519   -3.96412
C       1.48718   -2.05760    1.43827
C      -2.35120    1.87610    3.85173
C      -1.48718    2.05760   -1.43827
C       2.35120   -1.87610   -3.85173
C       2.91678   -2.50187    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678    2.50187   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807   -3.93160   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807    3.93160    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727   -3.07023    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727    3.07023   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568   -5.19184   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568    5.19184    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772   -5.56394   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772    5.56394    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293   -3.45169    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293    3.45169   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536   -4.70480    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536    4.70480   -0.60535
C       3.83938    0.77110   -4.68464
H       8.21495   -7.66563   -1.49783
H      -9.07897   -3.73192    6.78782
H      -8.21495    7.66563    1.49783
H       9.07897    3.73192   -6.78782
H       6.74071   -4.70557   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071    4.70557    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931   -6.04449   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931    6.04449    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406   -4.72367   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406    4.72367    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293   -7.07681   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293    7.07681    2.05511
H       5.61695    3.14310   -7.34510
H      -0.57749   -2.19452    2.11643
H      -0.28653    1.73918    3.17357
H       0.57749    2.19452   -2.11643
H       0.28653   -1.73918   -3.17357
H       0.37553   -3.64931    2.43278
H      -1.23955    0.28439    2.85722
H      -0.37553    3.64931   -2.43278
H       1.23955   -0.28439   -2.85722
H       0.61268   -2.20085    3.43292
H      -1.47670    1.73285    1.85707
H      -0.61268    2.20085   -3.43292
H       1.47670   -1.73285   -1.85707
H       2.16345   -0.16055    0.59989
H      -3.02747    3.77315    4.69010
H      -2.16345    0.16055   -0.59989
H       3.02747   -3.77315   -4.69010
H       0.43327   -0.20137    0.98839
H      -1.29729    3.73233    4.30160
H      -0.43327    0.20137   -0.98839
H       1.29729   -3.73233   -4.30160
H       1.62840   -0.05005    2.28777
H      -2.49242    3.88365    3.00222
H      -1.62840    0.05005   -2.28777
H       2.49242   -3.88365   -3.00222
H       1.54475   -1.59335    0.44987
H      -2.40877    2.34035    4.84013
H      -1.54475    1.59335   -0.44987
H       2.40877   -2.34035   -4.84013
H       2.26001   -3.06012    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001    3.06012   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475   -2.05951    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475    2.05951   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733   -3.62191   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733    3.62191    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548   -2.13162    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548    2.13162   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575   -6.49684   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575    6.49684    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701   -5.00208    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701    5.00208   -1.11463
H       2.97103    1.06838   -4.17536
O       5.99098   -7.75468   -0.45163
O      -6.85500   -3.82097    5.74163
O      -5.99098    7.75468    0.45163
O       6.85500    3.82097   -5.74163
O       7.56669   -7.11030   -1.89246
O      -8.43071   -3.17659    7.18245
O      -7.56669    7.11030    1.89246
O       8.43071    3.17659   -7.18245
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062   -7.06691   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062    7.06691    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752   -5.34542   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752    5.34542    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506   -6.13382   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506    6.13382    2.07412
C       6.16908    2.20011   -7.36411
C       0.40272   -2.56072    2.42689
C      -1.26674    1.37297    2.86311
C      -0.40272    2.56072   -2.42689
C       1.26674   -1.37297   -2.86311
C       1.42306   -0.50851    1.32587
C      -2.28708    3.42519    3.96412
C      -1.42306    0.50851   -1.32587
C       2.28708   -3.42519   -3.96412
C       1.48718   -2.05760    1.43827
C      -2.35120    1.87610    3.85173
C      -1.48718    2.05760   -1.43827
C       2.35120   -1.87610   -3.85173
C       2.91678   -2.50187    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678    2.50187   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807   -3.93160   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807    3.93160    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727   -3.07023    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727    3.07023   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568   -5.19184   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568    5.19184    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772   -5.56394   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772    5.56394    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293   -3.45169    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293    3.45169   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536   -4.70480    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536    4.70480   -0.60535
C       3.83938    0.77110   -4.68464
H       8.19498   -7.71906   -1.54387
H      -9.05900   -3.78536    6.83387
H      -8.19498    7.71906    1.54387
H       9.05900    3.78536   -6.83387
H       6.74071   -4.70557   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071    4.70557    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931   -6.04449   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931    6.04449    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406   -4.72367   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406    4.72367    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293   -7.07681   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293    7.07681    2.05511
H       5.61695    3.14310   -7.34510
H      -0.57749   -2.19452    2.11643
H      -0.28653    1.73918    3.17357
H       0.57749    2.19452   -2.11643
H       0.28653   -1.73918   -3.17357
H       0.37553   -3.64931    2.43278
H      -1.23955    0.28439    2.85722
H      -0.37553    3.64931   -2.43278
H       1.23955   -0.28439   -2.85722
H       0.61268   -2.20085    3.43292
H      -1.47670    1.73285    1.85707
H      -0.61268    2.20085   -3.43292
H       1.47670   -1.73285   -1.85707
H       2.16345   -0.16055    0.59989
H      -3.02747    3.77315    4.69010
H      -2.16345    0.16055   -0.59989
H       3.02747   -3.77315   -4.69010
H       0.43327   -0.20137    0.98839
H      -1.29729    3.73233    4.30160
H      -0.43327    0.20137   -0.98839
H       1.29729   -3.73233   -4.30160
H       1.62840   -0.05005    2.28777
H      -2.49242    3.88365    3.00222
H      -1.62840    0.05005   -2.28777
H       2.49242   -3.88365   -3.00222
H       1.54475   -1.59335    0.44987
H      -2.40877    2.34035    4.84013
H      -1.54475    1.59335   -0.44987
H       2.40877   -2.34035   -4.84013
H       2.26001   -3.06012    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001    3.06012   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475   -2.05951    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475    2.05951   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733   -3.62191   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733    3.62191    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548   -2.13162    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548    2.13162   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575   -6.49684   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575    6.49684    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701   -5.00208    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701    5.00208   -1.11463
H       2.97103    1.06838   -4.17536
O       6.01050   -7.70758   -0.41409
O      -6.87452   -3.77388    5.70409
O      -6.01050    7.70758    0.41409
O       6.87452    3.77388   -5.70409
O       7.54653   -7.16251   -1.93645
O      -8.41055   -3.22880    7.22644
O      -7.54653    7.16251    1.93645
O       8.41055    3.22880   -7.22644
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062    0.80048   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062   -0.80048    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752    2.52198   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752   -2.52198    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.40272    5.30667    2.42689
C      -1.26674    1.37297    2.86311
C      -0.40272   -5.30667   -2.42689
C       1.26674   -1.37297   -2.86311
C       1.42306    7.35888    1.32587
C      -2.28708    3.42519    3.96412
C      -1.42306   -7.35888   -1.32587
C       2.28708   -3.42519   -3.96412
C       1.48718    5.80979    1.43827
C      -2.35120    1.87610    3.85173
C      -1.48718   -5.80979   -1.43827
C       2.35120   -1.87610   -3.85173
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.52794   -0.47333    0.11218
H      -7.39195   -4.40702    5.17782
H      -6.52794    0.47333   -0.11218
H       7.39195    4.40702   -5.17782
H       6.74071    3.16183   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071   -3.16183    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931    1.82290   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931   -1.82290    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406    3.14372   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406   -3.14372    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.57749    5.67287    2.11643
H      -0.28653    1.73918    3.17357
H       0.57749   -5.67287   -2.11643
H       0.28653   -1.73918   -3.17357
H       0.37553    4.21808    2.43278
H      -1.23955    0.28439    2.85722
H      -0.37553   -4.21808   -2.43278
H       1.23955   -0.28439   -2.85722
H       0.61268    5.66655    3.43292
H      -1.47670    1.73285    1.85707
H      -0.61268   -5.66655   -3.43292
H       1.47670   -1.73285   -1.85707
H       2.16345    7.70685    0.59989
H      -3.02747    3.77315    4.69010
H      -2.16345   -7.70685   -0.59989
H       3.02747   -3.77315   -4.69010
H       0.43327    7.66603    0.98839
H      -1.29729    3.73233    4.30160
H      -0.43327   -7.66603   -0.98839
H       1.29729   -3.73233   -4.30160
H       1.62840    7.81734    2.28777
H      -2.49242    3.88365    3.00222
H      -1.62840   -7.81734   -2.28777
H       2.49242   -3.88365   -3.00222
H       1.54475    6.27404    0.44987
H      -2.40877    2.34035    4.84013
H      -1.54475   -6.27404   -0.44987
H       2.40877   -2.34035   -4.84013
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.41388    0.61316   -1.90851
O      -8.27790   -3.32053    7.19850
O      -7.41388   -0.61316    1.90851
O       8.27790    3.32053   -7.19850
O       5.93934    0.12853   -0.30696
O      -6.80336   -3.80516    5.59695
O      -5.93934   -0.12853    0.30696
O       6.80336    3.80516   -5.59695
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062    0.80048   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062   -0.80048    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752    2.52198   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752   -2.52198    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.41866    5.42268    2.49422
C      -1.28267    1.48899    2.79577
C      -0.41866   -5.42268   -2.49422
C       1.28267   -1.48899   -2.79577
C       1.45794    7.34468    1.19395
C      -2.32195    3.41098    4.09605
C      -1.45794   -7.34468   -1.19395
C       2.32195   -3.41098   -4.09605
C       1.48718    5.80979    1.43827
C      -2.35120    1.87610    3.85173
C      -1.48718   -5.80979   -1.43827
C       2.35120   -1.87610   -3.85173
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.52794   -0.47333    0.11218
H      -7.39195   -4.40702    5.17782
H      -6.52794    0.47333   -0.11218
H       7.39195    4.40702   -5.17782
H       6.74071    3.16183   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071   -3.16183    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931    1.82290   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931   -1.82290    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406    3.14372   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406   -3.14372    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.56055    5.78707    2.17851
H      -0.30347    1.85338    3.11148
H       0.56055   -5.78707   -2.17851
H       0.30347   -1.85338   -3.11148
H       0.36494    4.33974    2.59498
H      -1.22895    0.40605    2.69502
H      -0.36494   -4.33974   -2.59498
H       1.22895   -0.40605   -2.69502
H       0.66536    5.86181    3.45963
H      -1.52938    1.92812    1.83037
H      -0.66536   -5.86181   -3.45963
H       1.52938   -1.92812   -1.83037
H       2.18611    7.60904    0.42182
H      -3.05013    3.67535    4.86818
H      -2.18611   -7.60904   -0.42182
H       3.05013   -3.67535   -4.86818
H       0.46696    7.64819    0.85668
H      -1.33097    3.71450    4.43332
H      -0.46696   -7.64819   -0.85668
H       1.33097   -3.71450   -4.43332
H       1.70121    7.87833    2.10698
H      -2.56523    3.94464    3.18302
H      -1.70121   -7.87833   -2.10698
H       2.56523   -3.94464   -3.18302
H       1.54475    6.27404    0.44987
H      -2.40877    2.34035    4.84013
H      -1.54475   -6.27404   -0.44987
H       2.40877   -2.34035   -4.84013
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.41388    0.61316   -1.90851
O      -8.27790   -3.32053    7.19850
O      -7.41388   -0.61316    1.90851
O       8.27790    3.32053   -7.19850
O       5.93934    0.12853   -0.30696
O      -6.80336   -3.80516    5.59695
O      -5.93934   -0.12853    0.30696
O       6.80336    3.80516   -5.59695
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062    0.80048   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062   -0.80048    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752    2.52198   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752   -2.52198    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.42485    5.39983    2.52006
C      -1.28887    1.46614    2.76993
C      -0.42485   -5.39983   -2.52006
C       1.28887   -1.46614   -2.76993
C       1.42929    7.32382    1.19557
C      -2.29330    3.39013    4.09442
C      -1.42929   -7.32382   -1.19557
C       2.29330   -3.39013   -4.09442
C       1.47796    5.79111    1.45025
C      -2.34198    1.85742    3.83974
C      -1.47796   -5.79111   -1.45025
C       2.34198   -1.85742   -3.83974
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.52794   -0.47333    0.11218
H      -7.39195   -4.40702    5.17782
H      -6.52794    0.47333   -0.11218
H       7.39195    4.40702   -5.17782
H       6.74071    3.16183   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071   -3.16183    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931    1.82290   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931   -1.82290    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406    3.14372   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406   -3.14372    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.56155    5.75126    2.21214
H      -0.30247    1.81756    3.07785
H       0.56155   -5.75126   -2.21214
H       0.30247   -1.81756   -3.07785
H       0.38410    4.31711    2.62892
H      -1.24812    0.38341    2.66108
H      -0.38410   -4.31711   -2.62892
H       1.24812   -0.38341   -2.66108
H       0.67677    5.84846    3.47974
H      -1.54079    1.91476    1.81026
H      -0.67677   -5.84846   -3.47974
H       1.54079   -1.91476   -1.81026
H       2.14641    7.59065    0.41399
H      -3.01042    3.65696    4.87600
H      -2.14641   -7.59065   -0.41399
H       3.01042   -3.65696   -4.87600
H       0.43155    7.61409    0.86664
H      -1.29557    3.68040    4.42335
H      -0.43155   -7.61409   -0.86664
H       1.29557   -3.68040   -4.42335
H       1.67619    7.86656    2.10225
H      -2.54021    3.93286    3.18774
H      -1.67619   -7.86656   -2.10225
H       2.54021   -3.93286   -3.18774
H       1.52010    6.24896    0.45809
H      -2.38412    2.31526    4.83190
H      -1.52010   -6.24896   -0.45809
H       2.38412   -2.31526   -4.83190
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.41388    0.61316   -1.90851
O      -8.27790   -3.32053    7.19850
O      -7.41388   -0.61316    1.90851
O       8.27790    3.32053   -7.19850
O       5.93934    0.12853   -0.30696
O      -6.80336   -3.80516    5.59695
O      -5.93934   -0.12853    0.30696
O       6.80336    3.80516   -5.59695
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062    0.80048   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062   -0.80048    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752    2.52198   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752   -2.52198    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.42564    5.39693    2.52337
C      -1.28966    1.46324    2.76663
C      -0.42564   -5.39693   -2.52337
C       1.28966   -1.46324   -2.76663
C       1.42561    7.32114    1.19581
C      -2.28963    3.38744    4.09419
C      -1.42561   -7.32114   -1.19581
C       2.28963   -3.38744   -4.09419
C       1.47678    5.78873    1.45180
C      -2.34079    1.85503    3.83820
C      -1.47678   -5.78873   -1.45180
C       2.34079   -1.85503   -3.83820
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.52794   -0.47333    0.11218
H      -7.39195   -4.40702    5.17782
H      -6.52794    0.47333   -0.11218
H       7.39195    4.40702   -5.17782
H       6.74071    3.16183   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071   -3.16183    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931    1.82290   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931   -1.82290    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406    3.14372   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406   -3.14372    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.56166    5.74670    2.21645
H      -0.30236    1.81301    3.07354
H       0.56166   -5.74670   -2.21645
H       0.30236   -1.81301   -3.07354
H       0.38656    4.31425    2.63325
H      -1.25057    0.38056    2.65675
H      -0.38656   -4.31425   -2.63325
H       1.25057   -0.38056   -2.65675
H       0.67822    5.84678    3.48230
H      -1.54223    1.91308    1.80769
H      -0.67822   -5.84678   -3.48230
H       1.54223   -1.91308   -1.80769
H       2.14131    7.58827    0.41304
H      -3.00533    3.65458    4.87696
H      -2.14131   -7.58827   -0.41304
H       3.00533   -3.65458   -4.87696
H       0.42704    7.60971    0.86796
H      -1.29105    3.67602    4.42204
H      -0.42704   -7.60971   -0.86796
H       1.29105   -3.67602   -4.42204
H       1.67297    7.86503    2.10167
H      -2.53699    3.93133    3.18832
H      -1.67297   -7.86503   -2.10167
H       2.53699   -3.93133   -3.18832
H       1.51695    6.24574    0.45917
H      -2.38096    2.31205    4.83082
H      -1.51695   -6.24574   -0.45917
H       2.38096   -2.31205   -4.83082
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.41388    0.61316   -1.90851
O      -8.27790   -3.32053    7.19850
O      -7.41388   -0.61316    1.90851
O       8.27790    3.32053   -7.19850
O       5.93934    0.12853   -0.30696
O      -6.80336   -3.80516    5.59695
O      -5.93934   -0.12853    0.30696
O       6.80336    3.80516   -5.59695
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.30062    0.80048   -1.42223
C      -7.16464   -3.13320    6.71222
C      -6.30062   -0.80048    1.42223
C       7.16464    3.13320   -6.71222
C       5.92752    2.52198   -3.25675
C      -6.79154   -1.41171    8.54674
C      -5.92752   -2.52198    3.25675
C       6.79154    1.41171   -8.54674
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.43339    5.37132    2.55285
C      -1.29741    1.43762    2.73714
C      -0.43339   -5.37132   -2.55285
C       1.29741   -1.43762   -2.73714
C       1.39340    7.29703    1.19826
C      -2.25742    3.36334    4.09174
C      -1.39340   -7.29703   -1.19826
C       2.25742   -3.36334   -4.09174
C       1.46676    5.76749    1.46572
C      -2.33078    1.83379    3.82427
C      -1.46676   -5.76749   -1.46572
C       2.33078   -1.83379   -3.82427
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.52794   -0.47333    0.11218
H      -7.39195   -4.40702    5.17782
H      -6.52794    0.47333   -0.11218
H       7.39195    4.40702   -5.17782
H       6.74071    3.16183   -2.91075
H      -7.60473   -0.77186    8.20074
H      -6.74071   -3.16183    2.91075
H       7.60473    0.77186   -8.20074
H       6.31931    1.82290   -3.99953
H      -7.18333   -2.11078    9.28953
H      -6.31931   -1.82290    3.99953
H       7.18333    2.11078   -9.28953
H       5.16406    3.14372   -3.72909
H      -6.02808   -0.78996    9.01908
H      -5.16406   -3.14372    3.72909
H       6.02808    0.78996   -9.01908
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.56178    5.70633    2.25501
H      -0.30224    1.77263    3.03498
H       0.56178   -5.70633   -2.25501
H       0.30224   -1.77263   -3.03498
H       0.40916    4.28915    2.67174
H      -1.27317    0.35546    2.61825
H      -0.40916   -4.28915   -2.67174
H       1.27317   -0.35546   -2.61825
H       0.69168    5.83197    3.50511
H      -1.55569    1.89827    1.78489
H      -0.69168   -5.83197   -3.50511
H       1.55569   -1.89827   -1.78489
H       2.09637    7.56672    0.40489
H      -2.96039    3.63303    4.88510
H      -2.09637   -7.56672   -0.40489
H       2.96039   -3.63303   -4.88510
H       0.38748    7.57054    0.88010
H      -1.25150    3.63685    4.40989
H      -0.38748   -7.57054   -0.88010
H       1.25150   -3.63685   -4.40989
H       1.64467    7.85123    2.09677
H      -2.50868    3.91754    3.19322
H      -1.64467   -7.85123   -2.09677
H       2.50868   -3.91754   -3.19322
H       1.48944    6.21696    0.46910
H      -2.35345    2.28326    4.82089
H      -1.48944   -6.21696   -0.46910
H       2.35345   -2.28326   -4.82089
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.41388    0.61316   -1.90851
O      -8.27790   -3.32053    7.19850
O      -7.41388   -0.61316    1.90851
O       8.27790    3.32053   -7.19850
O       5.93934    0.12853   -0.30696
O      -6.80336   -3.80516    5.59695
O      -5.93934   -0.12853    0.30696
O       6.80336    3.80516   -5.59695
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.31138    0.81025   -1.42489
C      -7.17540   -3.12343    6.71488
C      -6.31138   -0.81025    1.42489
C       7.17540    3.12343   -6.71488
C       5.91422    2.52145   -3.26399
C      -6.77824   -1.41224    8.55398
C      -5.91422   -2.52145    3.26399
C       6.77824    1.41224   -8.55398
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.43339    5.37132    2.55285
C      -1.29741    1.43762    2.73714
C      -0.43339   -5.37132   -2.55285
C       1.29741   -1.43762   -2.73714
C       1.39340    7.29703    1.19826
C      -2.25742    3.36334    4.09174
C      -1.39340   -7.29703   -1.19826
C       2.25742   -3.36334   -4.09174
C       1.46676    5.76749    1.46572
C      -2.33078    1.83379    3.82427
C      -1.46676   -5.76749   -1.46572
C       2.33078   -1.83379   -3.82427
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.55764   -0.45554    0.11322
H      -7.42165   -4.38923    5.17677
H      -6.55764    0.45554   -0.11322
H       7.42165    4.38923   -5.17677
H       6.72507    3.16846   -2.92590
H      -7.58909   -0.76523    8.21589
H      -6.72507   -3.16846    2.92590
H       7.58909    0.76523   -8.21589
H       6.30615    1.82209   -4.00643
H      -7.17017   -2.11159    9.29642
H      -6.30615   -1.82209    4.00643
H       7.17017    2.11159   -9.29642
H       5.14333    3.13582   -3.73390
H      -6.00735   -0.79786    9.02390
H      -5.14333   -3.13582    3.73390
H       6.00735    0.79786   -9.02390
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.56178    5.70633    2.25501
H      -0.30224    1.77263    3.03498
H       0.56178   -5.70633   -2.25501
H       0.30224   -1.77263   -3.03498
H       0.40916    4.28915    2.67174
H      -1.27317    0.35546    2.61825
H      -0.40916   -4.28915   -2.67174
H       1.27317   -0.35546   -2.61825
H       0.69168    5.83197    3.50511
H      -1.55569    1.89827    1.78489
H      -0.69168   -5.83197   -3.50511
H       1.55569   -1.89827   -1.78489
H       2.09637    7.56672    0.40489
H      -2.96039    3.63303    4.88510
H      -2.09637   -7.56672   -0.40489
H       2.96039   -3.63303   -4.88510
H       0.38748    7.57054    0.88010
H      -1.25150    3.63685    4.40989
H      -0.38748   -7.57054   -0.88010
H       1.25150   -3.63685   -4.40989
H       1.64467    7.85123    2.09677
H      -2.50868    3.91754    3.19322
H      -1.64467   -7.85123   -2.09677
H       2.50868   -3.91754   -3.19322
H       1.48944    6.21696    0.46910
H      -2.35345    2.28326    4.82089
H      -1.48944   -6.21696   -0.46910
H       2.35345   -2.28326   -4.82089
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.42277    0.62879   -1.91761
O      -8.28679   -3.30489    7.20761
O      -7.42277   -0.62879    1.91761
O       8.28679    3.30489   -7.20761
O       5.96209    0.14040   -0.30455
O      -6.82611   -3.79329    5.59454
O      -5.96209   -0.14040    0.30455
O       6.82611    3.79329   -5.59454
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.31138    0.81025   -1.42489
C      -7.17540   -3.12343    6.71488
C      -6.31138   -0.81025    1.42489
C       7.17540    3.12343   -6.71488
C       5.91422    2.52145   -3.26399
C      -6.77824   -1.41224    8.55398
C      -5.91422   -2.52145    3.26399
C       6.77824    1.41224   -8.55398
C       5.30506    1.73357   -2.07412
C      -6.16908   -2.20011    7.36411
C      -5.30506   -1.73357    2.07412
C       6.16908    2.20011   -7.36411
C       0.43339    5.37132    2.55285
C      -1.29741    1.43762    2.73714
C      -0.43339   -5.37132   -2.55285
C       1.29741   -1.43762   -2.73714
C       1.39340    7.29703    1.19826
C      -2.25742    3.36334    4.09174
C      -1.39340   -7.29703   -1.19826
C       2.25742   -3.36334   -4.09174
C       1.46676    5.76749    1.46572
C      -2.33078    1.83379    3.82427
C      -1.46676   -5.76749   -1.46572
C       2.33078   -1.83379   -3.82427
C       2.91678    5.36552    1.86449
C      -3.78080    1.43183    3.42550
C      -2.91678   -5.36552   -1.86449
C       3.78080   -1.43183   -3.42550
C       5.27807    3.93580   -0.78673
C      -6.14209    0.00211    6.07672
C      -5.27807   -3.93580    0.78673
C       6.14209   -0.00211   -6.07672
C       4.70727    4.79717    0.15882
C      -5.57129    0.86348    5.13117
C      -4.70727   -4.79717   -0.15882
C       5.57129   -0.86348   -5.13117
C       4.70568    2.67555   -1.04440
C      -5.56970   -1.25814    6.33439
C      -4.70568   -2.67555    1.04440
C       5.56970    1.25814   -6.33439
C       3.54772    2.30346   -0.34146
C      -4.41174   -1.63023    5.63145
C      -3.54772   -2.30346    0.34146
C       4.41174    1.63023   -5.63145
C       3.55293    4.41570    0.87104
C      -4.41695    0.48201    4.41896
C      -3.55293   -4.41570   -0.87104
C       4.41695   -0.48201   -4.41896
C       2.97536    3.16259    0.60535
C      -3.83938   -0.77110    4.68464
C      -2.97536   -3.16259   -0.60535
C       3.83938    0.77110   -4.68464
H       6.56664   -0.43498    0.12846
H      -7.43065   -4.36867    5.16154
H      -6.56664    0.43498   -0.12846
H       7.43065    4.36867   -5.16154
H       6.72507    3.16846   -2.92590
H      -7.58909   -0.76523    8.21589
H      -6.72507   -3.16846    2.92590
H       7.58909    0.76523   -8.21589
H       6.30615    1.82209   -4.00643
H      -7.17017   -2.11159    9.29642
H      -6.30615   -1.82209    4.00643
H       7.17017    2.11159   -9.29642
H       5.14333    3.13582   -3.73390
H      -6.00735   -0.79786    9.02390
H      -5.14333   -3.13582    3.73390
H       6.00735    0.79786   -9.02390
H       4.75293    0.79058   -2.05511
H      -5.61695   -3.14310    7.34510
H      -4.75293   -0.79058    2.05511
H       5.61695    3.14310   -7.34510
H      -0.56178    5.70633    2.25501
H      -0.30224    1.77263    3.03498
H       0.56178   -5.70633   -2.25501
H       0.30224   -1.77263   -3.03498
H       0.40916    4.28915    2.67174
H      -1.27317    0.35546    2.61825
H      -0.40916   -4.28915   -2.67174
H       1.27317   -0.35546   -2.61825
H       0.69168    5.83197    3.50511
H      -1.55569    1.89827    1.78489
H      -0.69168   -5.83197   -3.50511
H       1.55569   -1.89827   -1.78489
H       2.09637    7.56672    0.40489
H      -2.96039    3.63303    4.88510
H      -2.09637   -7.56672   -0.40489
H       2.96039   -3.63303   -4.88510
H       0.38748    7.57054    0.88010
H      -1.25150    3.63685    4.40989
H      -0.38748   -7.57054   -0.88010
H       1.25150   -3.63685   -4.40989
H       1.64467    7.85123    2.09677
H      -2.50868    3.91754    3.19322
H      -1.64467   -7.85123   -2.09677
H       2.50868   -3.91754   -3.19322
H       1.48944    6.21696    0.46910
H      -2.35345    2.28326    4.82089
H      -1.48944   -6.21696   -0.46910
H       2.35345   -2.28326   -4.82089
H       2.26001    4.80727    2.53364
H      -3.12403    0.87357    2.75635
H      -2.26001   -4.80727   -2.53364
H       3.12403   -0.87357   -2.75635
H       3.71475    5.80788    2.47291
H      -4.57876    1.87419    2.81708
H      -3.71475   -5.80788   -2.47291
H       4.57876   -1.87419   -2.81708
H       6.13733    4.24548   -1.30666
H      -7.00135    0.31179    6.59665
H      -6.13733   -4.24548    1.30666
H       7.00135   -0.31179   -6.59665
H       5.14548    5.73578    0.33471
H      -6.00950    1.80209    4.95529
H      -5.14548   -5.73578   -0.33471
H       6.00950   -1.80209   -4.95529
H       3.09575    1.37055   -0.52422
H      -3.95976   -2.56314    5.81421
H      -3.09575   -1.37055    0.52422
H       3.95976    2.56314   -5.81421
H       2.10701    2.86531    1.11463
H      -2.97103   -1.06838    4.17536
H      -2.10701   -2.86531   -1.11463
H       2.97103    1.06838   -4.17536
O       7.41412    0.61077   -1.92987
O      -8.27813   -3.32292    7.21987
O      -7.41412   -0.61077    1.92987
O       8.27813    3.32292   -7.21987
O       5.97110    0.16045   -0.29005
O      -6.83512   -3.77324    5.58004
O      -5.97110   -0.16045    0.29005
O       6.83512    3.77324   -5.58004
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.25683    0.72834   -1.34624
C      -7.12085   -3.20535    6.63623
C      -6.25683   -0.72834    1.34624
C       7.12085    3.20535   -6.63623
C       6.25697    2.62149   -3.04452
C      -7.12099   -1.31219    8.33451
C      -6.25697   -2.62149    3.04452
C       7.12099    1.31219   -8.33451
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.22568    5.42395    2.22491
C      -1.08970    1.49025    3.06508
C      -0.22568   -5.42395   -2.22491
C       1.08970   -1.49025   -3.06508
C       1.51150    7.36860    1.21005
C      -2.37552    3.43490    4.07995
C      -1.51150   -7.36860   -1.21005
C       2.37552   -3.43490   -4.07995
C       1.43120    5.82105    1.33289
C      -2.29522    1.88736    3.95711
C      -1.43120   -5.82105   -1.33289
C       2.29522   -1.88736   -3.95711
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       6.19252   -0.66509    0.09698
H      -7.05654   -4.59878    5.19301
H      -6.19252    0.66509   -0.09698
H       7.05654    4.59878   -5.19301
H       7.05688    3.16288   -2.53713
H      -7.92090   -0.77080    7.82712
H      -7.05688   -3.16288    2.53713
H       7.92090    0.77080   -7.82712
H       6.69815    1.95778   -3.79203
H      -7.56216   -1.97590    9.08203
H      -6.69815   -1.95778    3.79203
H       7.56216    1.97590   -9.08203
H       5.60966    3.33978   -3.55206
H      -6.47368   -0.59390    8.84206
H      -5.60966   -3.33978    3.55206
H       6.47368    0.59390   -8.84206
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68854    5.86972    1.82894
H      -0.17548    1.93602    3.46106
H       0.68854   -5.86972   -1.82894
H       0.17548   -1.93602   -3.46106
H       0.10384    4.34187    2.23212
H      -0.96786    0.40817    3.05787
H      -0.10384   -4.34187   -2.23212
H       0.96786   -0.40817   -3.05787
H       0.37816    5.77541    3.24419
H      -1.24218    1.84172    2.04581
H      -0.37816   -5.77541   -3.24419
H       1.24218   -1.84172   -2.04581
H       2.33932    7.64360    0.55019
H      -3.20334    3.70991    4.73980
H      -2.33932   -7.64360   -0.55019
H       3.20334   -3.70991   -4.73980
H       0.58499    7.75605    0.78652
H      -1.44901    3.82236    4.50347
H      -0.58499   -7.75605   -0.78652
H       1.44901   -3.82236   -4.50347
H       1.67176    7.81819    2.18461
H      -2.53578    3.88449    3.10538
H      -1.67176   -7.81819   -2.18461
H       2.53578   -3.88449   -3.10538
H       1.63034    6.35191    0.39784
H      -2.49435    2.41822    4.89215
H      -1.63034   -6.35191   -0.39784
H       2.49435   -2.41822   -4.89215
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       7.40266    0.47755   -1.71368
O      -8.26668   -3.45613    7.00367
O      -7.40266   -0.47755    1.71368
O       8.26668    3.45613   -7.00367
O       5.70946    0.01453   -0.33789
O      -6.57347   -3.91916    5.62788
O      -5.70946   -0.01453    0.33789
O       6.57347    3.91916   -5.62788
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361    0.78195   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361   -0.78195    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565    2.62636   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565   -2.62636    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.22568    5.42395    2.22491
C      -1.08970    1.49025    3.06508
C      -0.22568   -5.42395   -2.22491
C       1.08970   -1.49025   -3.06508
C       1.51150    7.36860    1.21005
C      -2.37552    3.43490    4.07995
C      -1.51150   -7.36860   -1.21005
C       2.37552   -3.43490   -4.07995
C       1.43120    5.82105    1.33289
C      -2.29522    1.88736    3.95711
C      -1.43120   -5.82105   -1.33289
C       2.29522   -1.88736   -3.95711
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       6.36785   -0.57289    0.13066
H      -7.23187   -4.50658    5.15934
H      -6.36785    0.57289   -0.13066
H       7.23187    4.50658   -5.15934
H       6.97985    3.21331   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985   -3.21331    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731    1.96080   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731   -1.96080    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172    3.30374   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172   -3.30374    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68854    5.86972    1.82894
H      -0.17548    1.93602    3.46106
H       0.68854   -5.86972   -1.82894
H       0.17548   -1.93602   -3.46106
H       0.10384    4.34187    2.23212
H      -0.96786    0.40817    3.05787
H      -0.10384   -4.34187   -2.23212
H       0.96786   -0.40817   -3.05787
H       0.37816    5.77541    3.24419
H      -1.24218    1.84172    2.04581
H      -0.37816   -5.77541   -3.24419
H       1.24218   -1.84172   -2.04581
H       2.33932    7.64360    0.55019
H      -3.20334    3.70991    4.73980
H      -2.33932   -7.64360   -0.55019
H       3.20334   -3.70991   -4.73980
H       0.58499    7.75605    0.78652
H      -1.44901    3.82236    4.50347
H      -0.58499   -7.75605   -0.78652
H       1.44901   -3.82236   -4.50347
H       1.67176    7.81819    2.18461
H      -2.53578    3.88449    3.10538
H      -1.67176   -7.81819   -2.18461
H       2.53578   -3.88449   -3.10538
H       1.63034    6.35191    0.39784
H      -2.49435    2.41822    4.89215
H      -1.63034   -6.35191   -0.39784
H       2.49435   -2.41822   -4.89215
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       7.46518    0.56771   -1.75175
O      -8.32920   -3.36598    7.04174
O      -7.46518   -0.56771    1.75175
O       8.32920    3.36598   -7.04174
O       5.84207    0.07449   -0.30386
O      -6.70609   -3.85920    5.59386
O      -5.84207   -0.07449    0.30386
O       6.70609    3.85920   -5.59386
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361    0.78195   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361   -0.78195    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565    2.62636   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565   -2.62636    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.22568    5.42395    2.22491
C      -1.08970    1.49025    3.06508
C      -0.22568   -5.42395   -2.22491
C       1.08970   -1.49025   -3.06508
C       1.51150    7.36860    1.21005
C      -2.37552    3.43490    4.07995
C      -1.51150   -7.36860   -1.21005
C       2.37552   -3.43490   -4.07995
C       1.43120    5.82105    1.33289
C      -2.29522    1.88736    3.95711
C      -1.43120   -5.82105   -1.33289
C       2.29522   -1.88736   -3.95711
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       6.29487   -0.91834   -0.28336
H      -7.15888   -4.85203    5.57336
H      -6.29487    0.91834    0.28336
H       7.15888    4.85203   -5.57336
H       6.97985    3.21331   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985   -3.21331    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731    1.96080   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731   -1.96080    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172    3.30374   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172   -3.30374    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68854    5.86972    1.82894
H      -0.17548    1.93602    3.46106
H       0.68854   -5.86972   -1.82894
H       0.17548   -1.93602   -3.46106
H       0.10384    4.34187    2.23212
H      -0.96786    0.40817    3.05787
H      -0.10384   -4.34187   -2.23212
H       0.96786   -0.40817   -3.05787
H       0.37816    5.77541    3.24419
H      -1.24218    1.84172    2.04581
H      -0.37816   -5.77541   -3.24419
H       1.24218   -1.84172   -2.04581
H       2.33932    7.64360    0.55019
H      -3.20334    3.70991    4.73980
H      -2.33932   -7.64360   -0.55019
H       3.20334   -3.70991   -4.73980
H       0.58499    7.75605    0.78652
H      -1.44901    3.82236    4.50347
H      -0.58499   -7.75605   -0.78652
H       1.44901   -3.82236   -4.50347
H       1.67176    7.81819    2.18461
H      -2.53578    3.88449    3.10538
H      -1.67176   -7.81819   -2.18461
H       2.53578   -3.88449   -3.10538
H       1.63034    6.35191    0.39784
H      -2.49435    2.41822    4.89215
H      -1.63034   -6.35191   -0.39784
H       2.49435   -2.41822   -4.89215
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       7.54786    0.87545   -1.40625
O      -8.41188   -3.05824    6.69624
O      -7.54786   -0.87545    1.40625
O       8.41188    3.05824   -6.69624
O       5.76472   -0.26412   -0.70203
O      -6.62874   -4.19780    5.99202
O      -5.76472    0.26412    0.70203
O       6.62874    4.19780   -5.99202
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361    0.78195   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361   -0.78195    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565    2.62636   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565   -2.62636    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.22568    5.42395    2.22491
C      -1.08970    1.49025    3.06508
C      -0.22568   -5.42395   -2.22491
C       1.08970   -1.49025   -3.06508
C       1.51150    7.36860    1.21005
C      -2.37552    3.43490    4.07995
C      -1.51150   -7.36860   -1.21005
C       2.37552   -3.43490   -4.07995
C       1.43120    5.82105    1.33289
C      -2.29522    1.88736    3.95711
C      -1.43120   -5.82105   -1.33289
C       2.29522   -1.88736   -3.95711
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       6.44704   -1.15270   -0.82948
H      -7.31106   -5.08639    6.11948
H      -6.44704    1.15270    0.82948
H       7.31106    5.08639   -6.11948
H       6.97985    3.21331   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985   -3.21331    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731    1.96080   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731   -1.96080    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172    3.30374   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172   -3.30374    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68854    5.86972    1.82894
H      -0.17548    1.93602    3.46106
H       0.68854   -5.86972   -1.82894
H       0.17548   -1.93602   -3.46106
H       0.10384    4.34187    2.23212
H      -0.96786    0.40817    3.05787
H      -0.10384   -4.34187   -2.23212
H       0.96786   -0.40817   -3.05787
H       0.37816    5.77541    3.24419
H      -1.24218    1.84172    2.04581
H      -0.37816   -5.77541   -3.24419
H       1.24218   -1.84172   -2.04581
H       2.33932    7.64360    0.55019
H      -3.20334    3.70991    4.73980
H      -2.33932   -7.64360   -0.55019
H       3.20334   -3.70991   -4.73980
H       0.58499    7.75605    0.78652
H      -1.44901    3.82236    4.50347
H      -0.58499   -7.75605   -0.78652
H       1.44901   -3.82236   -4.50347
H       1.67176    7.81819    2.18461
H      -2.53578    3.88449    3.10538
H      -1.67176   -7.81819   -2.18461
H       2.53578   -3.88449   -3.10538
H       1.63034    6.35191    0.39784
H      -2.49435    2.41822    4.89215
H      -1.63034   -6.35191   -0.39784
H       2.49435   -2.41822   -4.89215
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       7.43807    1.09560   -0.93692
O      -8.30208   -2.83809    6.22692
O      -7.43807   -1.09560    0.93692
O       8.30208    2.83809   -6.22692
O       5.90541   -0.49757   -1.23170
O      -6.76943   -4.43125    6.52170
O      -5.90541    0.49757    1.23170
O       6.76943    4.43125   -6.52170
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361    0.78195   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361   -0.78195    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565    2.62636   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565   -2.62636    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.22568    5.42395    2.22491
C      -1.08970    1.49025    3.06508
C      -0.22568   -5.42395   -2.22491
C       1.08970   -1.49025   -3.06508
C       1.51150    7.36860    1.21005
C      -2.37552    3.43490    4.07995
C      -1.51150   -7.36860   -1.21005
C       2.37552   -3.43490   -4.07995
C       1.43120    5.82105    1.33289
C      -2.29522    1.88736    3.95711
C      -1.43120   -5.82105   -1.33289
C       2.29522   -1.88736   -3.95711
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       6.41566   -1.13516   -0.76238
H      -7.27968   -5.06885    6.05238
H      -6.41566    1.13516    0.76238
H       7.27968    5.06885   -6.05238
H       6.97985    3.21331   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985   -3.21331    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731    1.96080   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731   -1.96080    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172    3.30374   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172   -3.30374    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68854    5.86972    1.82894
H      -0.17548    1.93602    3.46106
H       0.68854   -5.86972   -1.82894
H       0.17548   -1.93602   -3.46106
H       0.10384    4.34187    2.23212
H      -0.96786    0.40817    3.05787
H      -0.10384   -4.34187   -2.23212
H       0.96786   -0.40817   -3.05787
H       0.37816    5.77541    3.24419
H      -1.24218    1.84172    2.04581
H      -0.37816   -5.77541   -3.24419
H       1.24218   -1.84172   -2.04581
H       2.33932    7.64360    0.55019
H      -3.20334    3.70991    4.73980
H      -2.33932   -7.64360   -0.55019
H       3.20334   -3.70991   -4.73980
H       0.58499    7.75605    0.78652
H      -1.44901    3.82236    4.50347
H      -0.58499   -7.75605   -0.78652
H       1.44901   -3.82236   -4.50347
H       1.67176    7.81819    2.18461
H      -2.53578    3.88449    3.10538
H      -1.67176   -7.81819   -2.18461
H       2.53578   -3.88449   -3.10538
H       1.63034    6.35191    0.39784
H      -2.49435    2.41822    4.89215
H      -1.63034   -6.35191   -0.39784
H       2.49435   -2.41822   -4.89215
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       7.46265    1.07800   -0.99528
O      -8.32667   -2.85568    6.28527
O      -7.46265   -1.07800    0.99528
O       8.32667    2.85568   -6.28527
O       5.87574   -0.47973   -1.16639
O      -6.73975   -4.41341    6.45639
O      -5.87574    0.47973    1.16639
O       6.73975    4.41341   -6.45639
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361    0.78195   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361   -0.78195    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565    2.62636   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565   -2.62636    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.24493    5.27684    2.37457
C      -1.10895    1.34315    2.91542
C      -0.24493   -5.27684   -2.37457
C       1.10895   -1.34315   -2.91542
C       1.33599    7.24843    1.19669
C      -2.20000    3.31474    4.09330
C      -1.33599   -7.24843   -1.19669
C       2.20000   -3.31474   -4.09330
C       1.36659    5.70667    1.39283
C      -2.23060    1.77297    3.89716
C      -1.36659   -5.70667   -1.39283
C       2.23060   -1.77297   -3.89716
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       6.41566   -1.13516   -0.76238
H      -7.27968   -5.06885    6.05238
H      -6.41566    1.13516    0.76238
H       7.27968    5.06885   -6.05238
H       6.97985    3.21331   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985   -3.21331    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731    1.96080   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731   -1.96080    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172    3.30374   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172   -3.30374    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.71875    5.64355    2.01661
H      -0.14527    1.70986    3.27339
H       0.71875   -5.64355   -2.01661
H       0.14527   -1.70986   -3.27339
H       0.19627    4.19080    2.43734
H      -1.06028    0.25711    2.85266
H      -0.19627   -4.19080   -2.43734
H       1.06028   -0.25711   -2.85266
H       0.43338    5.68621    3.36584
H      -1.29740    1.75251    1.92415
H      -0.43338   -5.68621   -3.36584
H       1.29740   -1.75251   -1.92415
H       2.10328    7.54361    0.47526
H      -2.96730    3.60992    4.81473
H      -2.10328   -7.54361   -0.47526
H       2.96730   -3.60992   -4.81473
H       0.36233    7.55489    0.81460
H      -1.22635    3.62120    4.47540
H      -0.36233   -7.55489   -0.81460
H       1.22635   -3.62120   -4.47540
H       1.52300    7.75394    2.13854
H      -2.38702    3.82024    3.15146
H      -1.52300   -7.75394   -2.13854
H       2.38702   -3.82024   -3.15146
H       1.47440    6.20335    0.42461
H      -2.33841    2.26966    4.86539
H      -1.47440   -6.20335   -0.42461
H       2.33841   -2.26966   -4.86539
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       7.46265    1.07800   -0.99528
O      -8.32667   -2.85568    6.28527
O      -7.46265   -1.07800    0.99528
O       8.32667    2.85568   -6.28527
O       5.87574   -0.47973   -1.16639
O      -6.73975   -4.41341    6.45639
O      -5.87574    0.47973    1.16639
O       6.73975    4.41341   -6.45639
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361    0.78195   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361   -0.78195    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565    2.62636   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565   -2.62636    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604    1.78949   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604   -1.78949    2.03212
C       6.29006    2.14419   -7.32211
C       0.24493    5.27684    2.37457
C      -1.10895    1.34315    2.91542
C      -0.24493   -5.27684   -2.37457
C       1.10895   -1.34315   -2.91542
C       1.33599    7.24843    1.19669
C      -2.20000    3.31474    4.09330
C      -1.33599   -7.24843   -1.19669
C       2.20000   -3.31474   -4.09330
C       1.36659    5.70667    1.39283
C      -2.23060    1.77297    3.89716
C      -1.36659   -5.70667   -1.39283
C       2.23060   -1.77297   -3.89716
C       2.77476    5.26010    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476   -5.26010   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897    3.86501   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897   -3.86501    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421    4.68751    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421   -4.68751   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701    2.68715   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701   -2.68715    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554    2.35835   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554   -2.35835    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429    4.34828    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429   -4.34828   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889    3.17866    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889   -3.17866   -0.43319
C       3.71291    0.75503   -4.85681
H       8.21300    0.47838   -0.74416
H      -9.07702   -3.45531    6.03416
H      -8.21300   -0.47838    0.74416
H       9.07702    3.45531   -6.03416
H       6.97985    3.21331   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985   -3.21331    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731    1.96080   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731   -1.96080    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172    3.30374   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172   -3.30374    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802    0.90057   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802   -0.90057    2.18147
H       5.67204    3.03311   -7.47146
H      -0.71875    5.64355    2.01661
H      -0.14527    1.70986    3.27339
H       0.71875   -5.64355   -2.01661
H       0.14527   -1.70986   -3.27339
H       0.19627    4.19080    2.43734
H      -1.06028    0.25711    2.85266
H      -0.19627   -4.19080   -2.43734
H       1.06028   -0.25711   -2.85266
H       0.43338    5.68621    3.36584
H      -1.29740    1.75251    1.92415
H      -0.43338   -5.68621   -3.36584
H       1.29740   -1.75251   -1.92415
H       2.10328    7.54361    0.47526
H      -2.96730    3.60992    4.81473
H      -2.10328   -7.54361   -0.47526
H       2.96730   -3.60992   -4.81473
H       0.36233    7.55489    0.81460
H      -1.22635    3.62120    4.47540
H      -0.36233   -7.55489   -0.81460
H       1.22635   -3.62120   -4.47540
H       1.52300    7.75394    2.13854
H      -2.38702    3.82024    3.15146
H      -1.52300   -7.75394   -2.13854
H       2.38702   -3.82024   -3.15146
H       1.47440    6.20335    0.42461
H      -2.33841    2.26966    4.86539
H      -1.47440   -6.20335   -0.42461
H       2.33841   -2.26966   -4.86539
H       1.98882    4.70551    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882   -4.70551   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783    5.57599    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783   -5.57599   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472    4.14216   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472   -4.14216    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149    5.56510    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149   -5.56510   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610    1.48822   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610   -1.48822    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663    2.91554    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663   -2.91554   -0.78777
H       2.76064    1.01815   -4.50222
O       5.87854   -0.27698   -0.91231
O      -6.74256   -4.21066    6.20230
O      -5.87854    0.27698    0.91231
O       6.74256    4.21066   -6.20230
O       7.63194    1.07486   -1.18111
O      -8.49596   -2.85883    6.47110
O      -7.63194   -1.07486    1.18111
O       8.49596    2.85883   -6.47110
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361   -7.08544   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361    7.08544    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565   -5.24103   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565    5.24103    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.22625   -2.45275    2.23398
C      -1.09026    1.48095    3.05602
C      -0.22625    2.45275   -2.23398
C       1.09026   -1.48095   -3.05602
C       1.50040   -0.50585    1.20876
C      -2.36442    3.42785    4.08124
C      -1.50040    0.50585   -1.20876
C       2.36442   -3.42785   -4.08124
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.21300   -7.38901   -0.74416
H      -9.07702   -3.45531    6.03416
H      -8.21300    7.38901    0.74416
H       9.07702    3.45531   -6.03416
H       6.97985   -4.65408   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985    4.65408    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731   -5.90660   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731    5.90660    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172   -4.56365   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172    4.56365    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.69124   -2.01181    1.84015
H      -0.17278    1.92189    3.44984
H       0.69124    2.01181   -1.84015
H       0.17278   -1.92189   -3.44984
H       0.10881   -3.53528    2.24473
H      -0.97283    0.39841    3.04526
H      -0.10881    3.53528   -2.24473
H       0.97283   -0.39841   -3.04526
H       0.38110   -2.09774    3.25166
H      -1.24512    1.83595    2.03833
H      -0.38110    2.09774   -3.25166
H       1.24512   -1.83595   -2.03833
H       2.32464   -0.22940    0.54502
H      -3.18866    3.70430    4.74497
H      -2.32464    0.22940   -0.54502
H       3.18866   -3.70430   -4.74497
H       0.57076   -0.12335    0.78759
H      -1.43478    3.81035    4.50240
H      -0.57076    0.12335   -0.78759
H       1.43478   -3.81035   -4.50240
H       1.66247   -0.05281    2.18142
H      -2.52649    3.88088    3.10857
H      -1.66247    0.05281   -2.18142
H       2.52649   -3.88088   -3.10857
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       5.87854   -8.14437   -0.91231
O      -6.74256   -4.21066    6.20230
O      -5.87854    8.14437    0.91231
O       6.74256    4.21066   -6.20230
O       7.63194   -6.79253   -1.18111
O      -8.49596   -2.85883    6.47110
O      -7.63194    6.79253    1.18111
O       8.49596    2.85883   -6.47110
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361   -7.08544   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361    7.08544    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565   -5.24103   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565    5.24103    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.22904   -2.43421    2.24575
C      -1.09306    1.49949    3.04425
C      -0.22904    2.43421   -2.24575
C       1.09306   -1.49949   -3.04425
C       1.50797   -0.50811    1.18772
C      -2.37199    3.42559    4.10228
C      -1.50797    0.50811   -1.18772
C       2.37199   -3.42559   -4.10228
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.21300   -7.38901   -0.74416
H      -9.07702   -3.45531    6.03416
H      -8.21300    7.38901    0.74416
H       9.07702    3.45531   -6.03416
H       6.97985   -4.65408   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985    4.65408    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731   -5.90660   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731    5.90660    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172   -4.56365   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172    4.56365    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68821   -1.99356    1.85107
H      -0.17580    1.94014    3.43892
H       0.68821    1.99356   -1.85107
H       0.17580   -1.94014   -3.43892
H       0.10585   -3.51585    2.27159
H      -0.96987    0.41785    3.01841
H      -0.10585    3.51585   -2.27159
H       0.96987   -0.41785   -3.01841
H       0.39141   -2.06653    3.25775
H      -1.25543    1.86717    2.03224
H      -0.39141    2.06653   -3.25775
H       1.25543   -1.86717   -2.03224
H       2.33002   -0.24502    0.51588
H      -3.19403    3.68868    4.77412
H      -2.33002    0.24502   -0.51588
H       3.19403   -3.68868   -4.77412
H       0.57810   -0.12619    0.76655
H      -1.44212    3.80751    4.52345
H      -0.57810    0.12619   -0.76655
H       1.44212   -3.80751   -4.52345
H       1.67784   -0.04305    2.15335
H      -2.54185    3.89065    3.13664
H      -1.67784    0.04305   -2.15335
H       2.54185   -3.89065   -3.13664
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       5.87854   -8.14437   -0.91231
O      -6.74256   -4.21066    6.20230
O      -5.87854    8.14437    0.91231
O       6.74256    4.21066   -6.20230
O       7.63194   -6.79253   -1.18111
O      -8.49596   -2.85883    6.47110
O      -7.63194    6.79253    1.18111
O       8.49596    2.85883   -6.47110
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361   -7.08544   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361    7.08544    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565   -5.24103   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565    5.24103    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.23356   -2.40616    2.26290
C      -1.09758    1.52754    3.02710
C      -0.23356    2.40616   -2.26290
C       1.09758   -1.52754   -3.02710
C       1.51910   -0.51210    1.15617
C      -2.38312    3.42160    4.13383
C      -1.51910    0.51210   -1.15617
C       2.38312   -3.42160   -4.13383
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.21300   -7.38901   -0.74416
H      -9.07702   -3.45531    6.03416
H      -8.21300    7.38901    0.74416
H       9.07702    3.45531   -6.03416
H       6.97985   -4.65408   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985    4.65408    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731   -5.90660   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731    5.90660    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172   -4.56365   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172    4.56365    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.68337   -1.96597    1.86695
H      -0.18065    1.96773    3.42304
H       0.68337    1.96597   -1.86695
H       0.18065   -1.96773   -3.42304
H       0.10191   -3.48603    2.31138
H      -0.96592    0.44767    2.97861
H      -0.10191    3.48603   -2.31138
H       0.96592   -0.44767   -2.97861
H       0.40726   -2.01971    3.26598
H      -1.27128    1.91399    2.02401
H      -0.40726    2.01971   -3.26598
H       1.27128   -1.91399   -2.02401
H       2.33764   -0.26920    0.47254
H      -3.20165    3.66450    4.81746
H      -2.33764    0.26920   -0.47254
H       3.20165   -3.66450   -4.81746
H       0.58887   -0.13104    0.73501
H      -1.45289    3.80266    4.55498
H      -0.58887    0.13104   -0.73501
H       1.45289   -3.80266   -4.55498
H       1.70070   -0.02927    2.11089
H      -2.56472    3.90442    3.17911
H      -1.70070    0.02927   -2.11089
H       2.56472   -3.90442   -3.17911
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       5.87854   -8.14437   -0.91231
O      -6.74256   -4.21066    6.20230
O      -5.87854    8.14437    0.91231
O       6.74256    4.21066   -6.20230
O       7.63194   -6.79253   -1.18111
O      -8.49596   -2.85883    6.47110
O      -7.63194    6.79253    1.18111
O       8.49596    2.85883   -6.47110
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32361   -7.08544   -1.34958
C      -7.18763   -3.15173    6.63957
C      -6.32361    7.08544    1.34958
C       7.18763    3.15173   -6.63957
C       6.18565   -5.24103   -3.09524
C      -7.04967   -1.30732    8.38523
C      -6.18565    5.24103    3.09524
C       7.04967    1.30732   -8.38523
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.24028   -2.36773    2.28515
C      -1.10430    1.56597    3.00485
C      -0.24028    2.36773   -2.28515
C       1.10430   -1.56597   -3.00485
C       1.53372   -0.51864    1.11346
C      -2.39773    3.41506    4.17653
C      -1.53372    0.51864   -1.11346
C       2.39773   -3.41506   -4.17653
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.21300   -7.38901   -0.74416
H      -9.07702   -3.45531    6.03416
H      -8.21300    7.38901    0.74416
H       9.07702    3.45531   -6.03416
H       6.97985   -4.65408   -2.63142
H      -7.84387   -0.72037    7.92142
H      -6.97985    4.65408    2.63142
H       7.84387    0.72037   -7.92142
H       6.62731   -5.90660   -3.84082
H      -7.49133   -1.97288    9.13082
H      -6.62731    5.90660    3.84082
H       7.49133    1.97288   -9.13082
H       5.49172   -4.56365   -3.59740
H      -6.35574   -0.62994    8.88739
H      -5.49172    4.56365    3.59740
H       6.35574    0.62994   -8.88739
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.67623   -1.92821    1.88749
H      -0.18779    2.00549    3.40250
H       0.67623    1.92821   -1.88749
H       0.18779   -2.00549   -3.40250
H       0.09749   -3.44436    2.36432
H      -0.96151    0.48933    2.92567
H      -0.09749    3.44436   -2.36432
H       0.96151   -0.48933   -2.92567
H       0.42943   -1.95631    3.27543
H      -1.29345    1.97738    2.01457
H      -0.42943    1.95631   -3.27543
H       1.29345   -1.97738   -2.01457
H       2.34708   -0.30341    0.41457
H      -3.21110    3.63030    4.87543
H      -2.34708    0.30341   -0.41457
H       3.21110   -3.63030   -4.87543
H       0.60298   -0.13875    0.69236
H      -1.46700    3.79495    4.59763
H      -0.60298    0.13875   -0.69236
H       1.46700   -3.79495   -4.59763
H       1.73126   -0.01228    2.05270
H      -2.59528    3.92141    3.23729
H      -1.73126    0.01228   -2.05270
H       2.59528   -3.92141   -3.23729
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       5.87854   -8.14437   -0.91231
O      -6.74256   -4.21066    6.20230
O      -5.87854    8.14437    0.91231
O       6.74256    4.21066   -6.20230
O       7.63194   -6.79253   -1.18111
O      -8.49596   -2.85883    6.47110
O      -7.63194    6.79253    1.18111
O       8.49596    2.85883   -6.47110
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.47133   -6.94905   -1.37255
C      -5.60732   -3.01535   -3.91744
C      -6.47133    6.94905    1.37255
C       5.60732    3.01535    3.91744
C       6.01022   -5.24653   -3.20477
C      -5.14620   -1.31283   -2.08523
C      -6.01022    5.24653    3.20477
C       5.14620    1.31283    2.08523
C       5.42604   -6.07790   -2.03212
C      -4.56202   -2.14421   -3.25788
C      -5.42604    6.07790    2.03212
C       4.56202    2.14421    3.25788
C       0.24028   -2.36773    2.28515
C       0.62374    1.56595   -7.57514
C      -0.24028    2.36773   -2.28515
C      -0.62374   -1.56595    7.57514
C       1.53372   -0.51864    1.11346
C      -0.66970    3.41505   -6.40345
C      -1.53372    0.51864   -1.11346
C       0.66970   -3.41505    6.40345
C       1.42682   -2.05335    1.33632
C      -0.56280    1.88034   -6.62631
C      -1.42682    2.05335   -1.33632
C       0.56280   -1.88034    6.62631
C       2.77476   -2.60729    1.88364
C      -1.91074    1.32640   -7.17363
C      -2.77476    2.60729   -1.88364
C       1.91074   -1.32640    7.17363
C       5.37897   -4.00238   -0.54958
C      -4.51496   -0.06869   -4.74041
C      -5.37897    4.00238    0.54958
C       4.51496    0.06869    4.74041
C       4.74421   -3.17989    0.38979
C      -3.88019    0.75380   -5.67978
C      -4.74421    3.17989   -0.38979
C       3.88019   -0.75380    5.67978
C       4.75701   -5.18024   -1.00571
C      -3.89299   -1.24655   -4.28428
C      -4.75701    5.18024    1.00571
C       3.89299    1.24655    4.28428
C       3.48554   -5.50904   -0.50700
C      -2.62153   -1.57535   -4.78299
C      -3.48554    5.50904    0.50700
C       2.62153    1.57535    4.78299
C       3.47429   -3.51911    0.89722
C      -2.61027    0.41457   -6.18721
C      -3.47429    3.51911   -0.89722
C       2.61027   -0.41457    6.18721
C       2.84889   -4.68873    0.43319
C      -1.98488   -0.75505   -5.72318
C      -2.84889    4.68873   -0.43319
C       1.98488    0.75505    5.72318
H       8.42438   -7.03316   -0.91757
H      -7.56036   -3.09947   -4.37242
H      -8.42438    7.03316    0.91757
H       7.56036    3.09947    4.37242
H       6.77745   -4.55807   -2.84729
H      -5.91344   -0.62438   -2.44270
H      -6.77745    4.55807    2.84729
H       5.91344    0.62438    2.44270
H       6.45358   -5.91615   -3.94569
H      -5.58956   -1.98245   -1.34431
H      -6.45358    5.91615    3.94569
H       5.58956    1.98245    1.34431
H       5.21418   -4.67221   -3.68334
H      -4.35017   -0.73852   -1.60665
H      -5.21418    4.67221    3.68334
H       4.35017    0.73852    1.60665
H       4.80802   -6.96682   -2.18147
H      -3.94400   -3.03313   -3.10853
H      -4.80802    6.96682    2.18147
H       3.94400    3.03313    3.10853
H      -0.67623   -1.92821    1.88749
H       1.54025    2.00548   -7.17749
H       0.67623    1.92821   -1.88749
H      -1.54025   -2.00548    7.17749
H       0.09749   -3.44436    2.36432
H       0.76653    0.48932   -7.65431
H      -0.09749    3.44436   -2.36432
H      -0.76653   -0.48932    7.65431
H       0.42943   -1.95631    3.27543
H       0.43458    1.97737   -8.56542
H      -0.42943    1.95631   -3.27543
H      -0.43458   -1.97737    8.56542
H       2.34708   -0.30341    0.41457
H      -1.48306    3.63028   -5.70456
H      -2.34708    0.30341   -0.41457
H       1.48306   -3.63028    5.70456
H       0.60298   -0.13875    0.69236
H       0.26104    3.79493   -5.98235
H      -0.60298    0.13875   -0.69236
H      -0.26104   -3.79493    5.98235
H       1.73126   -0.01228    2.05270
H      -0.86725    3.92140   -7.34269
H      -1.73126    0.01228   -2.05270
H       0.86725   -3.92140    7.34269
H       1.62032   -1.52438    0.39902
H      -0.75630    2.40931   -5.68901
H      -1.62032    1.52438   -0.39902
H       0.75630   -2.40931    5.68901
H       1.98882   -3.16188    2.39888
H      -1.12480    0.77180   -7.68888
H      -1.98882    3.16188   -2.39888
H       1.12480   -0.77180    7.68888
H       3.50783   -2.29140    2.63559
H      -2.64381    1.64228   -7.92558
H      -3.50783    2.29140   -2.63559
H       2.64381   -1.64228    7.92558
H       6.32472   -3.72523   -0.91469
H      -5.46070    0.20846   -4.37531
H      -6.32472    3.72523    0.91469
H       5.46070   -0.20846    4.37531
H       5.22149   -2.30229    0.71533
H      -4.35747    1.63140   -6.00532
H      -5.22149    2.30229   -0.71533
H       4.35747   -1.63140    6.00532
H       2.99610   -6.37918   -0.84063
H      -2.13208   -2.44548   -4.44936
H      -2.99610    6.37918    0.84063
H       2.13208    2.44548    4.44936
H       1.89663   -4.95185    0.78777
H      -1.03261   -1.01817   -6.07777
H      -1.89663    4.95185   -0.78777
H       1.03261    1.01817    6.07777
O       6.17024   -8.01339   -0.83670
O      -5.30622   -4.07970   -4.45329
O      -6.17024    8.01339    0.83670
O       5.30622    4.07970    4.45329
O       7.75358   -6.52428   -1.33639
O      -6.88957   -2.59059   -3.95360
O      -7.75358    6.52428    1.33639
O       6.88957    2.59059    3.95360
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.47133   -6.94905   -1.37255
C      -7.33535   -3.01534    6.66254
C      -6.47133    6.94905    1.37255
C       7.33535    3.01534   -6.66254
C       6.01022   -5.24653   -3.20477
C      -6.87424   -1.31282    8.49476
C      -6.01022    5.24653    3.20477
C       6.87424    1.31282   -8.49476
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.24028   -2.36773    2.28515
C      -1.10430    1.56597    3.00485
C      -0.24028    2.36773   -2.28515
C       1.10430   -1.56597   -3.00485
C       1.53372   -0.51864    1.11346
C      -2.39773    3.41506    4.17653
C      -1.53372    0.51864   -1.11346
C       2.39773   -3.41506   -4.17653
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.34875   -6.93119   -0.66309
H      -9.21277   -2.99749    5.95308
H      -8.34875    6.93119    0.66309
H       9.21277    2.99749   -5.95308
H       6.77745   -4.55807   -2.84729
H      -7.64147   -0.62437    8.13729
H      -6.77745    4.55807    2.84729
H       7.64147    0.62437   -8.13729
H       6.45358   -5.91615   -3.94569
H      -7.31760   -1.98244    9.23568
H      -6.45358    5.91615    3.94569
H       7.31760    1.98244   -9.23568
H       5.21418   -4.67221   -3.68334
H      -6.07820   -0.73850    8.97333
H      -5.21418    4.67221    3.68334
H       6.07820    0.73850   -8.97333
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.67623   -1.92821    1.88749
H      -0.18779    2.00549    3.40250
H       0.67623    1.92821   -1.88749
H       0.18779   -2.00549   -3.40250
H       0.09749   -3.44436    2.36432
H      -0.96151    0.48933    2.92567
H      -0.09749    3.44436   -2.36432
H       0.96151   -0.48933   -2.92567
H       0.42943   -1.95631    3.27543
H      -1.29345    1.97738    2.01457
H      -0.42943    1.95631   -3.27543
H       1.29345   -1.97738   -2.01457
H       2.34708   -0.30341    0.41457
H      -3.21110    3.63030    4.87543
H      -2.34708    0.30341   -0.41457
H       3.21110   -3.63030   -4.87543
H       0.60298   -0.13875    0.69236
H      -1.46700    3.79495    4.59763
H      -0.60298    0.13875   -0.69236
H       1.46700   -3.79495   -4.59763
H       1.73126   -0.01228    2.05270
H      -2.59528    3.92141    3.23729
H      -1.73126    0.01228   -2.05270
H       2.59528   -3.92141   -3.23729
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.22665   -8.11089   -1.05495
O      -7.09067   -4.17719    6.34495
O      -6.22665    8.11089    1.05495
O       7.09067    4.17719   -6.34495
O       7.68303   -6.42214   -1.08972
O      -8.54704   -2.48844    6.37972
O      -7.68303    6.42214    1.08972
O       8.54704    2.48844   -6.37972
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.47133   -6.94905   -1.37255
C      -7.33535   -3.01534    6.66254
C      -6.47133    6.94905    1.37255
C       7.33535    3.01534   -6.66254
C       6.01022   -5.24653   -3.20477
C      -6.87424   -1.31282    8.49476
C      -6.01022    5.24653    3.20477
C       6.87424    1.31282   -8.49476
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.24028   -2.36773    2.28515
C      -1.10430    1.56597    3.00485
C      -0.24028    2.36773   -2.28515
C       1.10430   -1.56597   -3.00485
C       1.53372   -0.51864    1.11346
C      -2.39773    3.41506    4.17653
C      -1.53372    0.51864   -1.11346
C       2.39773   -3.41506   -4.17653
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.30543   -6.90413   -0.55875
H      -9.16945   -2.97042    5.84875
H      -8.30543    6.90413    0.55875
H       9.16945    2.97042   -5.84875
H       6.77745   -4.55807   -2.84729
H      -7.64147   -0.62437    8.13729
H      -6.77745    4.55807    2.84729
H       7.64147    0.62437   -8.13729
H       6.45358   -5.91615   -3.94569
H      -7.31760   -1.98244    9.23568
H      -6.45358    5.91615    3.94569
H       7.31760    1.98244   -9.23568
H       5.21418   -4.67221   -3.68334
H      -6.07820   -0.73850    8.97333
H      -5.21418    4.67221    3.68334
H       6.07820    0.73850   -8.97333
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.67623   -1.92821    1.88749
H      -0.18779    2.00549    3.40250
H       0.67623    1.92821   -1.88749
H       0.18779   -2.00549   -3.40250
H       0.09749   -3.44436    2.36432
H      -0.96151    0.48933    2.92567
H      -0.09749    3.44436   -2.36432
H       0.96151   -0.48933   -2.92567
H       0.42943   -1.95631    3.27543
H      -1.29345    1.97738    2.01457
H      -0.42943    1.95631   -3.27543
H       1.29345   -1.97738   -2.01457
H       2.34708   -0.30341    0.41457
H      -3.21110    3.63030    4.87543
H      -2.34708    0.30341   -0.41457
H       3.21110   -3.63030   -4.87543
H       0.60298   -0.13875    0.69236
H      -1.46700    3.79495    4.59763
H      -0.60298    0.13875   -0.69236
H       1.46700   -3.79495   -4.59763
H       1.73126   -0.01228    2.05270
H      -2.59528    3.92141    3.23729
H      -1.73126    0.01228   -2.05270
H       2.59528   -3.92141   -3.23729
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.26065   -8.13841   -1.14523
O      -7.12467   -4.20470    6.43523
O      -6.26065    8.13841    1.14523
O       7.12467    4.20470   -6.43523
O       7.64205   -6.39449   -0.98833
O      -8.50607   -2.46079    6.27832
O      -7.64205    6.39449    0.98833
O       8.50607    2.46079   -6.27832
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.47133   -6.94905   -1.37255
C      -7.33535   -3.01534    6.66254
C      -6.47133    6.94905    1.37255
C       7.33535    3.01534   -6.66254
C       6.01022   -5.24653   -3.20477
C      -6.87424   -1.31282    8.49476
C      -6.01022    5.24653    3.20477
C       6.87424    1.31282   -8.49476
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.24028   -2.36773    2.28515
C      -1.10430    1.56597    3.00485
C      -0.24028    2.36773   -2.28515
C       1.10430   -1.56597   -3.00485
C       1.53372   -0.51864    1.11346
C      -2.39773    3.41506    4.17653
C      -1.53372    0.51864   -1.11346
C       2.39773   -3.41506   -4.17653
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.28740   -6.89623   -0.51980
H      -9.15142   -2.96253    5.80979
H      -8.28740    6.89623    0.51980
H       9.15142    2.96253   -5.80979
H       6.77745   -4.55807   -2.84729
H      -7.64147   -0.62437    8.13729
H      -6.77745    4.55807    2.84729
H       7.64147    0.62437   -8.13729
H       6.45358   -5.91615   -3.94569
H      -7.31760   -1.98244    9.23568
H      -6.45358    5.91615    3.94569
H       7.31760    1.98244   -9.23568
H       5.21418   -4.67221   -3.68334
H      -6.07820   -0.73850    8.97333
H      -5.21418    4.67221    3.68334
H       6.07820    0.73850   -8.97333
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.67623   -1.92821    1.88749
H      -0.18779    2.00549    3.40250
H       0.67623    1.92821   -1.88749
H       0.18779   -2.00549   -3.40250
H       0.09749   -3.44436    2.36432
H      -0.96151    0.48933    2.92567
H      -0.09749    3.44436   -2.36432
H       0.96151   -0.48933   -2.92567
H       0.42943   -1.95631    3.27543
H      -1.29345    1.97738    2.01457
H      -0.42943    1.95631   -3.27543
H       1.29345   -1.97738   -2.01457
H       2.34708   -0.30341    0.41457
H      -3.21110    3.63030    4.87543
H      -2.34708    0.30341   -0.41457
H       3.21110   -3.63030   -4.87543
H       0.60298   -0.13875    0.69236
H      -1.46700    3.79495    4.59763
H      -0.60298    0.13875   -0.69236
H       1.46700   -3.79495   -4.59763
H       1.73126   -0.01228    2.05270
H      -2.59528    3.92141    3.23729
H      -1.73126    0.01228   -2.05270
H       2.59528   -3.92141   -3.23729
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.27496   -8.14681   -1.17905
O      -7.13897   -4.21311    6.46905
O      -6.27496    8.14681    1.17905
O       7.13897    4.21311   -6.46905
O       7.62493   -6.38630   -0.95043
O      -8.48895   -2.45260    6.24043
O      -7.62493    6.38630    0.95043
O       8.48895    2.45260   -6.24043
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.24028   -2.36773    2.28515
C      -1.10430    1.56597    3.00485
C      -0.24028    2.36773   -2.28515
C       1.10430   -1.56597   -3.00485
C       1.53372   -0.51864    1.11346
C      -2.39773    3.41506    4.17653
C      -1.53372    0.51864   -1.11346
C       2.39773   -3.41506   -4.17653
C       1.42682   -2.05335    1.33632
C      -2.29083    1.88035    3.95368
C      -1.42682    2.05335   -1.33632
C       2.29083   -1.88035   -3.95368
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.22948   -6.99653   -0.46981
H      -9.09350   -3.06282    5.75980
H      -8.22948    6.99653    0.46981
H       9.09350    3.06282   -5.75980
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.67623   -1.92821    1.88749
H      -0.18779    2.00549    3.40250
H       0.67623    1.92821   -1.88749
H       0.18779   -2.00549   -3.40250
H       0.09749   -3.44436    2.36432
H      -0.96151    0.48933    2.92567
H      -0.09749    3.44436   -2.36432
H       0.96151   -0.48933   -2.92567
H       0.42943   -1.95631    3.27543
H      -1.29345    1.97738    2.01457
H      -0.42943    1.95631   -3.27543
H       1.29345   -1.97738   -2.01457
H       2.34708   -0.30341    0.41457
H      -3.21110    3.63030    4.87543
H      -2.34708    0.30341   -0.41457
H       3.21110   -3.63030   -4.87543
H       0.60298   -0.13875    0.69236
H      -1.46700    3.79495    4.59763
H      -0.60298    0.13875   -0.69236
H       1.46700   -3.79495   -4.59763
H       1.73126   -0.01228    2.05270
H      -2.59528    3.92141    3.23729
H      -1.73126    0.01228   -2.05270
H       2.59528   -3.92141   -3.23729
H       1.62032   -1.52438    0.39902
H      -2.48434    2.40932    4.89098
H      -1.62032    1.52438   -0.39902
H       2.48434   -2.40932   -4.89098
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.20102   -8.18245   -1.19606
O      -7.06503   -4.24875    6.48605
O      -6.20102    8.18245    1.19606
O       7.06503    4.24875   -6.48605
O       7.59059   -6.46219   -0.90643
O      -8.45461   -2.52848    6.19642
O      -7.59059    6.46219    0.90643
O       8.45461    2.52848   -6.19642
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.26102   -2.52649    2.44664
C      -1.12503    1.40720    2.84336
C      -0.26102    2.52649   -2.44664
C       1.12503   -1.40720   -2.84336
C       1.33445   -0.65628    1.09941
C      -2.19847    3.27742    4.19058
C      -1.33445    0.65628   -1.09941
C       2.19847   -3.27742   -4.19058
C       1.35656   -2.18046    1.40403
C      -2.22058    1.75324    3.88596
C      -1.35656    2.18046   -1.40403
C       2.22058   -1.75324   -3.88596
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.22948   -6.99653   -0.46981
H      -9.09350   -3.06282    5.75980
H      -8.22948    6.99653    0.46981
H       9.09350    3.06282   -5.75980
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.70956   -2.17502    2.09204
H      -0.15446    1.75868    3.19796
H       0.70956    2.17502   -2.09204
H       0.15446   -1.75868   -3.19796
H       0.20404   -3.60470    2.58812
H      -1.06805    0.32900    2.70187
H      -0.20404    3.60470   -2.58812
H       1.06805   -0.32900   -2.70187
H       0.48323   -2.04996    3.40018
H      -1.34725    1.88373    1.88982
H      -0.48323    2.04996   -3.40018
H       1.34725   -1.88373   -1.88982
H       2.08231   -0.42197    0.33642
H      -2.94632    3.51173    4.95357
H      -2.08231    0.42197   -0.33642
H       2.94632   -3.51173   -4.95357
H       0.35262   -0.36648    0.72535
H      -1.21663    3.56722    4.56464
H      -0.35262    0.36648   -0.72535
H       1.21663   -3.56722   -4.56464
H       1.55464   -0.08734    1.99686
H      -2.41866    3.84635    3.29313
H      -1.55464    0.08734   -1.99686
H       2.41866   -3.84635   -3.29313
H       1.44876   -1.69039    0.43084
H      -2.31277    2.24331    4.85916
H      -1.44876    1.69039   -0.43084
H       2.31277   -2.24331   -4.85916
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.20102   -8.18245   -1.19606
O      -7.06503   -4.24875    6.48605
O      -6.20102    8.18245    1.19606
O       7.06503    4.24875   -6.48605
O       7.59059   -6.46219   -0.90643
O      -8.45461   -2.52848    6.19642
O      -7.59059    6.46219    0.90643
O       8.45461    2.52848   -6.19642
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.27705   -2.42235    2.49179
C      -1.14106    1.51134    2.79821
C      -0.27705    2.42235   -2.49179
C       1.14106   -1.51134   -2.79821
C       1.36369   -0.68221    0.98975
C      -2.22771    3.25149    4.30024
C      -1.36369    0.68221   -0.98975
C       2.22771   -3.25149   -4.30024
C       1.35656   -2.18046    1.40403
C      -2.22058    1.75324    3.88596
C      -1.35656    2.18046   -1.40403
C       2.22058   -1.75324   -3.88596
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.22948   -6.99653   -0.46981
H      -9.09350   -3.06282    5.75980
H      -8.22948    6.99653    0.46981
H       9.09350    3.06282   -5.75980
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.69272   -2.07296    2.13294
H      -0.17130    1.86074    3.15705
H       0.69272    2.07296   -2.13294
H       0.17130   -1.86074   -3.15705
H       0.19771   -3.48572    2.71258
H      -1.06173    0.44798    2.57741
H      -0.19771    3.48572   -2.71258
H       1.06173   -0.44798   -2.57741
H       0.53213   -1.88391    3.40323
H      -1.39615    2.04978    1.88677
H      -0.53213    1.88391   -3.40323
H       1.39615   -2.04978   -1.88677
H       2.09937   -0.52270    0.19622
H      -2.96338    3.41100    5.09377
H      -2.09937    0.52270   -0.19622
H       2.96338   -3.41100   -5.09377
H       0.38077   -0.39544    0.61622
H      -1.24478    3.53826    4.67377
H      -0.38077    0.39544   -0.61622
H       1.24478   -3.53826   -4.67377
H       1.61767   -0.05565    1.83857
H      -2.48169    3.87804    3.45142
H      -1.61767    0.05565   -1.83857
H       2.48169   -3.87804   -3.45142
H       1.44876   -1.69039    0.43084
H      -2.31277    2.24331    4.85916
H      -1.44876    1.69039   -0.43084
H       2.31277   -2.24331   -4.85916
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.20102   -8.18245   -1.19606
O      -7.06503   -4.24875    6.48605
O      -6.20102    8.18245    1.19606
O       7.06503    4.24875   -6.48605
O       7.59059   -6.46219   -0.90643
O      -8.45461   -2.52848    6.19642
O      -7.59059    6.46219    0.90643
O       8.45461    2.52848   -6.19642
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.26069   -2.27466    2.34370
C      -1.12471    1.65904    2.94629
C      -0.26069    2.27466   -2.34370
C       1.12471   -1.65904   -2.94629
C       1.55892   -0.54735    1.00356
C      -2.42294    3.38635    4.28643
C      -1.55892    0.54735   -1.00356
C       2.42294   -3.38635   -4.28643
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.22948   -6.99653   -0.46981
H      -9.09350   -3.06282    5.75980
H      -8.22948    6.99653    0.46981
H       9.09350    3.06282   -5.75980
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.65753   -1.84104    1.94354
H      -0.20649    2.09266    3.34645
H       0.65753    1.84104   -1.94354
H       0.20649   -2.09266   -3.34645
H       0.09526   -3.33892    2.50426
H      -0.95927    0.59478    2.78574
H      -0.09526    3.33892   -2.50426
H       0.95927   -0.59478   -2.78574
H       0.49118   -1.79896    3.29569
H      -1.35520    2.13474    1.99430
H      -0.49118    1.79896   -3.29569
H       1.35520   -2.13474   -1.99430
H       2.35425   -0.40330    0.26663
H      -3.21827    3.53040    5.02336
H      -2.35425    0.40330   -0.26663
H       3.21827   -3.53040   -5.02336
H       0.62433   -0.17450    0.58474
H      -1.48834    3.75920    4.70526
H      -0.62433    0.17450   -0.58474
H       1.48834   -3.75920   -4.70526
H       1.79839    0.01918    1.89759
H      -2.66241    3.95287    3.39240
H      -1.79839   -0.01918   -1.89759
H       2.66241   -3.95287   -3.39240
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.20102   -8.18245   -1.19606
O      -7.06503   -4.24875    6.48605
O      -6.20102    8.18245    1.19606
O       7.06503    4.24875   -6.48605
O       7.59059   -6.46219   -0.90643
O      -8.45461   -2.52848    6.19642
O      -7.59059    6.46219    0.90643
O       8.45461    2.52848   -6.19642
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.26325   -2.26280    2.34917
C      -1.12727    1.67089    2.94082
C      -0.26325    2.26280   -2.34917
C       1.12727   -1.67089   -2.94082
C       1.56266   -0.55054    0.99097
C      -2.42668    3.38316    4.29902
C      -1.56266    0.55054   -0.99097
C       2.42668   -3.38316   -4.29902
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.22948   -6.99653   -0.46981
H      -9.09350   -3.06282    5.75980
H      -8.22948    6.99653    0.46981
H       9.09350    3.06282   -5.75980
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.65487   -1.82943    1.94853
H      -0.20915    2.10427    3.34147
H       0.65487    1.82943   -1.94853
H       0.20915   -2.10427   -3.34147
H       0.09491   -3.32519    2.51882
H      -0.95893    0.60851    2.77117
H      -0.09491    3.32519   -2.51882
H       0.95893   -0.60851   -2.77117
H       0.49839   -1.78022    3.29655
H      -1.36241    2.15348    1.99344
H      -0.49839    1.78022   -3.29655
H       1.36241   -2.15348   -1.99344
H       2.35603   -0.41501    0.25033
H      -3.22005    3.51869    5.03966
H      -2.35603    0.41501   -0.25033
H       3.22005   -3.51869   -5.03966
H       0.62790   -0.17804    0.57220
H      -1.49192    3.75567    4.71779
H      -0.62790    0.17804   -0.57220
H       1.49192   -3.75567   -4.71779
H       1.80688    0.02237    1.87963
H      -2.67089    3.95607    3.41036
H      -1.80688   -0.02237   -1.87963
H       2.67089   -3.95607   -3.41036
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.20102   -8.18245   -1.19606
O      -7.06503   -4.24875    6.48605
O      -6.20102    8.18245    1.19606
O       7.06503    4.24875   -6.48605
O       7.59059   -6.46219   -0.90643
O      -8.45461   -2.52848    6.19642
O      -7.59059    6.46219    0.90643
O       8.45461    2.52848   -6.19642
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.26954   -2.23485    2.36160
C      -1.13356    1.69885    2.92839
C      -0.26954    2.23485   -2.36160
C       1.13356   -1.69885   -2.92839
C       1.57127   -0.55848    0.96150
C      -2.43529    3.37522    4.32849
C      -1.57127    0.55848   -0.96150
C       2.43529   -3.37522   -4.32849
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.22948   -6.99653   -0.46981
H      -9.09350   -3.06282    5.75980
H      -8.22948    6.99653    0.46981
H       9.09350    3.06282   -5.75980
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.64836   -1.80207    1.95981
H      -0.21566    2.13163    3.33019
H       0.64836    1.80207   -1.95981
H       0.21566   -2.13163   -3.33019
H       0.09453   -3.29253    2.55255
H      -0.95855    0.64116    2.73744
H      -0.09453    3.29253   -2.55255
H       0.95855   -0.64116   -2.73744
H       0.51561   -1.73633    3.29789
H      -1.37962    2.19736    1.99211
H      -0.51561    1.73633   -3.29789
H       1.37962   -2.19736   -1.99211
H       2.35990   -0.44300    0.21245
H      -3.22392    3.49071    5.07755
H      -2.35990    0.44300   -0.21245
H       3.22392   -3.49071   -5.07755
H       0.63614   -0.18676    0.54287
H      -1.50016    3.74694    4.74713
H      -0.63614    0.18676   -0.54287
H       1.50016   -3.74694   -4.74713
H       1.82664    0.02917    1.83731
H      -2.69066    3.96287    3.45268
H      -1.82664   -0.02917   -1.83731
H       2.69066   -3.96287   -3.45268
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.20102   -8.18245   -1.19606
O      -7.06503   -4.24875    6.48605
O      -6.20102    8.18245    1.19606
O       7.06503    4.24875   -6.48605
O       7.59059   -6.46219   -0.90643
O      -8.45461   -2.52848    6.19642
O      -7.59059    6.46219    0.90643
O       8.45461    2.52848   -6.19642
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.26954   -2.23485    2.36160
C      -1.13356    1.69885    2.92839
C      -0.26954    2.23485   -2.36160
C       1.13356   -1.69885   -2.92839
C       1.57127   -0.55848    0.96150
C      -2.43529    3.37522    4.32849
C      -1.57127    0.55848   -0.96150
C       2.43529   -3.37522   -4.32849
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.18508   -6.98388   -0.38571
H      -9.04910   -3.05017    5.67570
H      -8.18508    6.98388    0.38571
H       9.04910    3.05017   -5.67570
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.64836   -1.80207    1.95981
H      -0.21566    2.13163    3.33019
H       0.64836    1.80207   -1.95981
H       0.21566   -2.13163   -3.33019
H       0.09453   -3.29253    2.55255
H      -0.95855    0.64116    2.73744
H      -0.09453    3.29253   -2.55255
H       0.95855   -0.64116   -2.73744
H       0.51561   -1.73633    3.29789
H      -1.37962    2.19736    1.99211
H      -0.51561    1.73633   -3.29789
H       1.37962   -2.19736   -1.99211
H       2.35990   -0.44300    0.21245
H      -3.22392    3.49071    5.07755
H      -2.35990    0.44300   -0.21245
H       3.22392   -3.49071   -5.07755
H       0.63614   -0.18676    0.54287
H      -1.50016    3.74694    4.74713
H      -0.63614    0.18676   -0.54287
H       1.50016   -3.74694   -4.74713
H       1.82664    0.02917    1.83731
H      -2.69066    3.96287    3.45268
H      -1.82664   -0.02917   -1.83731
H       2.69066   -3.96287   -3.45268
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.23667   -8.19683   -1.26943
O      -7.10069   -4.26312    6.55943
O      -6.23667    8.19683    1.26943
O       7.10069    4.26312   -6.55943
O       7.54833   -6.44877   -0.82450
O      -8.41235   -2.51507    6.11450
O      -7.54833    6.44877    0.82450
O       8.41235    2.51507   -6.11450
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.26954   -2.23485    2.36160
C      -1.13356    1.69885    2.92839
C      -0.26954    2.23485   -2.36160
C       1.13356   -1.69885   -2.92839
C       1.57127   -0.55848    0.96150
C      -2.43529    3.37522    4.32849
C      -1.57127    0.55848   -0.96150
C       2.43529   -3.37522   -4.32849
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.16406   -6.98019   -0.34906
H      -9.02807   -3.04649    5.63905
H      -8.16406    6.98019    0.34906
H       9.02807    3.04649   -5.63905
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.64836   -1.80207    1.95981
H      -0.21566    2.13163    3.33019
H       0.64836    1.80207   -1.95981
H       0.21566   -2.13163   -3.33019
H       0.09453   -3.29253    2.55255
H      -0.95855    0.64116    2.73744
H      -0.09453    3.29253   -2.55255
H       0.95855   -0.64116   -2.73744
H       0.51561   -1.73633    3.29789
H      -1.37962    2.19736    1.99211
H      -0.51561    1.73633   -3.29789
H       1.37962   -2.19736   -1.99211
H       2.35990   -0.44300    0.21245
H      -3.22392    3.49071    5.07755
H      -2.35990    0.44300   -0.21245
H       3.22392   -3.49071   -5.07755
H       0.63614   -0.18676    0.54287
H      -1.50016    3.74694    4.74713
H      -0.63614    0.18676   -0.54287
H       1.50016   -3.74694   -4.74713
H       1.82664    0.02917    1.83731
H      -2.69066    3.96287    3.45268
H      -1.82664   -0.02917   -1.83731
H       2.69066   -3.96287   -3.45268
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.25365   -8.20154   -1.30151
O      -7.11767   -4.26784    6.59151
O      -6.25365    8.20154    1.30151
O       7.11767    4.26784   -6.59151
O       7.52827   -6.44469   -0.78877
O      -8.39229   -2.51098    6.07876
O      -7.52827    6.44469    0.78877
O       8.39229    2.51098   -6.07876
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -5.56881   -3.05351   -3.92574
C      -6.43283    6.98720    1.36426
C       5.56881    3.05351    3.92574
C       6.05849   -5.24268   -3.17664
C      -5.19447   -1.30898   -2.11335
C      -6.05849    5.24268    3.17664
C       5.19447    1.30898    2.11335
C       5.42604   -6.07790   -2.03212
C      -4.56202   -2.14421   -3.25788
C      -5.42604    6.07790    2.03212
C       4.56202    2.14421    3.25788
C       0.29931   -2.11595    2.40731
C       0.56470    1.81774   -7.69730
C      -0.29931    2.11595   -2.40731
C      -0.56470   -1.81774    7.69730
C       1.60432   -0.59841    0.83918
C      -0.74030    3.33528   -6.12917
C      -1.60432    0.59841   -0.83918
C       0.74030   -3.33528    6.12917
C       1.42324   -2.05910    1.33916
C      -0.55922    1.87459   -6.62915
C      -1.42324    2.05910   -1.33916
C       0.55922   -1.87459    6.62915
C       2.77476   -2.60729    1.88364
C      -1.91074    1.32640   -7.17363
C      -2.77476    2.60729   -1.88364
C       1.91074   -1.32640    7.17363
C       5.37897   -4.00238   -0.54958
C      -4.51496   -0.06869   -4.74041
C      -5.37897    4.00238    0.54958
C       4.51496    0.06869    4.74041
C       4.74421   -3.17989    0.38979
C      -3.88019    0.75380   -5.67978
C      -4.74421    3.17989   -0.38979
C       3.88019   -0.75380    5.67978
C       4.75701   -5.18024   -1.00571
C      -3.89299   -1.24655   -4.28428
C      -4.75701    5.18024    1.00571
C       3.89299    1.24655    4.28428
C       3.48554   -5.50904   -0.50700
C      -2.62153   -1.57535   -4.78299
C      -3.48554    5.50904    0.50700
C       2.62153    1.57535    4.78299
C       3.47429   -3.51911    0.89722
C      -2.61027    0.41457   -6.18721
C      -3.47429    3.51911   -0.89722
C       2.61027   -0.41457    6.18721
C       2.84889   -4.68873    0.43319
C      -1.98488   -0.75505   -5.72318
C      -2.84889    4.68873   -0.43319
C       1.98488    0.75505    5.72318
H       8.16406   -6.98019   -0.34906
H      -7.30004   -3.04650   -4.94094
H      -8.16406    6.98019    0.34906
H       7.30004    3.04650    4.94094
H       6.83488   -4.58076   -2.79000
H      -5.97086   -0.64707   -2.50000
H      -6.83488    4.58076    2.79000
H       5.97086    0.64707    2.50000
H       6.50132   -5.91126   -3.91883
H      -5.63730   -1.97756   -1.37116
H      -6.50132    5.91126    3.91883
H       5.63730    1.97756    1.37116
H       5.28889   -4.63967   -3.66309
H      -4.42488   -0.70597   -1.62691
H      -5.28889    4.63967    3.66309
H       4.42488    0.70597    1.62691
H       4.80802   -6.96682   -2.18147
H      -3.94400   -3.03313   -3.10853
H      -4.80802    6.96682    2.18147
H       3.94400    3.03313    3.10853
H      -0.61781   -1.68589    2.00083
H       1.48182    2.24780   -7.29083
H       0.61781    1.68589   -2.00083
H      -1.48182   -2.24780    7.29083
H       0.09855   -3.14904    2.68693
H       0.76547    0.78464   -7.97692
H      -0.09855    3.14904   -2.68693
H      -0.76547   -0.78464    7.97692
H       0.59147   -1.55398    3.29305
H       0.27254    2.37971   -8.58305
H      -0.59147    1.55398   -3.29305
H      -0.27254   -2.37971    8.58305
H       2.37076   -0.56812    0.05943
H      -1.50675    3.36557   -5.34942
H      -2.37076    0.56812   -0.05943
H       1.50675   -3.36557    5.34942
H       0.66757   -0.22995    0.42129
H       0.19645    3.70374   -5.71129
H      -0.66757    0.22995   -0.42129
H      -0.19645   -3.70374    5.71129
H       1.90648    0.04732    1.65729
H      -1.04247    3.98100   -6.94729
H      -1.90648   -0.04732   -1.65729
H       1.04247   -3.98100    6.94729
H       1.61212   -1.53170    0.40003
H      -0.74810    2.40199   -5.69002
H      -1.61212    1.53170   -0.40003
H       0.74810   -2.40199    5.69002
H       1.98882   -3.16188    2.39888
H      -1.12480    0.77180   -7.68888
H      -1.98882    3.16188   -2.39888
H       1.12480   -0.77180    7.68888
H       3.50783   -2.29140    2.63559
H      -2.64381    1.64228   -7.92558
H      -3.50783    2.29140   -2.63559
H       2.64381   -1.64228    7.92558
H       6.32472   -3.72523   -0.91469
H      -5.46070    0.20846   -4.37531
H      -6.32472    3.72523    0.91469
H       5.46070   -0.20846    4.37531
H       5.22149   -2.30229    0.71533
H      -4.35747    1.63140   -6.00532
H      -5.22149    2.30229   -0.71533
H       4.35747   -1.63140    6.00532
H       2.99610   -6.37918   -0.84063
H      -2.13208   -2.44548   -4.44936
H      -2.99610    6.37918    0.84063
H       2.13208    2.44548    4.44936
H       1.89663   -4.95185    0.78777
H      -1.03261   -1.01817   -6.07777
H      -1.89663    4.95185   -0.78777
H       1.03261    1.01817    6.07777
O       6.25365   -8.20154   -1.30151
O      -5.38964   -4.26785   -3.98848
O      -6.25365    8.20154    1.30151
O       5.38964    4.26785    3.98848
O       7.52827   -6.44469   -0.78877
O      -6.66425   -2.51100   -4.50123
O      -7.52827    6.44469    0.78877
O       6.66425    2.51100    4.50123
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43283   -6.98720   -1.36426
C      -7.29685   -3.05349    6.65425
C      -6.43283    6.98720    1.36426
C       7.29685    3.05349   -6.65425
C       6.05849   -5.24268   -3.17664
C      -6.92251   -1.30897    8.46663
C      -6.05849    5.24268    3.17664
C       6.92251    1.30897   -8.46663
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.28438   -2.17306    2.38677
C      -1.14840    1.76064    2.90322
C      -0.28438    2.17306   -2.38677
C       1.14840   -1.76064   -2.90322
C       1.58913   -0.57800    0.89733
C      -2.45315    3.35570    4.39267
C      -1.58913    0.57800   -0.89733
C       2.45315   -3.35570   -4.39267
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.16406   -6.98019   -0.34906
H      -9.02807   -3.04649    5.63905
H      -8.16406    6.98019    0.34906
H       9.02807    3.04649   -5.63905
H       6.83488   -4.58076   -2.79000
H      -7.69889   -0.64705    8.07999
H      -6.83488    4.58076    2.79000
H       7.69889    0.64705   -8.07999
H       6.50132   -5.91126   -3.91883
H      -7.36533   -1.97754    9.20883
H      -6.50132    5.91126    3.91883
H       7.36533    1.97754   -9.20883
H       5.28889   -4.63967   -3.66309
H      -6.15291   -0.70596    8.95308
H      -5.28889    4.63967    3.66309
H       6.15291    0.70596   -8.95308
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.63308   -1.74165    1.98251
H      -0.23094    2.19205    3.30748
H       0.63308    1.74165   -1.98251
H       0.23094   -2.19205   -3.30748
H       0.09546   -3.21887    2.62419
H      -0.95948    0.71483    2.66580
H      -0.09546    3.21887   -2.62419
H       0.95948   -0.71483   -2.66580
H       0.55448   -1.64070    3.29746
H      -1.41849    2.29300    1.99253
H      -0.55448    1.64070   -3.29746
H       1.41849   -2.29300   -1.99253
H       2.36663   -0.50682    0.13130
H      -3.23065    3.42688    5.15869
H      -2.36663    0.50682   -0.13130
H       3.23065   -3.42688   -5.15869
H       0.65316   -0.20800    0.47905
H      -1.51718    3.72570    4.81095
H      -0.65316    0.20800   -0.47905
H       1.51718   -3.72570   -4.81095
H       1.86895    0.04074    1.74375
H      -2.73296    3.97444    3.54624
H      -1.86895   -0.04074   -1.74375
H       2.73296   -3.97444   -3.54624
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.25365   -8.20154   -1.30151
O      -7.11767   -4.26784    6.59151
O      -6.25365    8.20154    1.30151
O       7.11767    4.26784   -6.59151
O       7.52827   -6.44469   -0.78877
O      -8.39229   -2.51098    6.07876
O      -7.52827    6.44469    0.78877
O       8.39229    2.51098   -6.07876
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.43321   -6.98680   -1.36433
C      -7.29722   -3.05310    6.65433
C      -6.43321    6.98680    1.36433
C       7.29722    3.05310   -6.65433
C       6.05796   -5.24271   -3.17694
C      -6.92197   -1.30900    8.46693
C      -6.05796    5.24271    3.17694
C       6.92197    1.30900   -8.46693
C       5.42604   -6.07790   -2.03212
C      -6.29006   -2.14419    7.32211
C      -5.42604    6.07790    2.03212
C       6.29006    2.14419   -7.32211
C       0.28438   -2.17306    2.38677
C      -1.14840    1.76064    2.90322
C      -0.28438    2.17306   -2.38677
C       1.14840   -1.76064   -2.90322
C       1.58913   -0.57800    0.89733
C      -2.45315    3.35570    4.39267
C      -1.58913    0.57800   -0.89733
C       2.45315   -3.35570   -4.39267
C       1.42324   -2.05910    1.33916
C      -2.28725    1.87460    3.95084
C      -1.42324    2.05910   -1.33916
C       2.28725   -1.87460   -3.95084
C       2.77476   -2.60729    1.88364
C      -3.63878    1.32641    3.40635
C      -2.77476    2.60729   -1.88364
C       3.63878   -1.32641   -3.40635
C       5.37897   -4.00238   -0.54958
C      -6.24299   -0.06868    5.83958
C      -5.37897    4.00238    0.54958
C       6.24299    0.06868   -5.83958
C       4.74421   -3.17989    0.38979
C      -5.60823    0.75381    4.90021
C      -4.74421    3.17989   -0.38979
C       5.60823   -0.75381   -4.90021
C       4.75701   -5.18024   -1.00571
C      -5.62103   -1.24654    6.29571
C      -4.75701    5.18024    1.00571
C       5.62103    1.24654   -6.29571
C       3.48554   -5.50904   -0.50700
C      -4.34956   -1.57534    5.79699
C      -3.48554    5.50904    0.50700
C       4.34956    1.57534   -5.79699
C       3.47429   -3.51911    0.89722
C      -4.33830    0.41459    4.39278
C      -3.47429    3.51911   -0.89722
C       4.33830   -0.41459   -4.39278
C       2.84889   -4.68873    0.43319
C      -3.71291   -0.75503    4.85681
C      -2.84889    4.68873   -0.43319
C       3.71291    0.75503   -4.85681
H       8.16467   -6.97914   -0.34955
H      -9.02869   -3.04544    5.63955
H      -8.16467    6.97914    0.34955
H       9.02869    3.04544   -5.63955
H       6.83425   -4.58051   -2.79060
H      -7.69827   -0.64680    8.08060
H      -6.83425    4.58051    2.79060
H       7.69827    0.64680   -8.08060
H       6.50079   -5.91130   -3.91912
H      -7.36481   -1.97759    9.20911
H      -6.50079    5.91130    3.91912
H       7.36481    1.97759   -9.20911
H       5.28808   -4.63999   -3.66331
H      -6.15210   -0.70628    8.95330
H      -5.28808    4.63999    3.66331
H       6.15210    0.70628   -8.95330
H       4.80802   -6.96682   -2.18147
H      -5.67204   -3.03311    7.47146
H      -4.80802    6.96682    2.18147
H       5.67204    3.03311   -7.47146
H      -0.63308   -1.74165    1.98251
H      -0.23094    2.19205    3.30748
H       0.63308    1.74165   -1.98251
H       0.23094   -2.19205   -3.30748
H       0.09546   -3.21887    2.62419
H      -0.95948    0.71483    2.66580
H      -0.09546    3.21887   -2.62419
H       0.95948   -0.71483   -2.66580
H       0.55448   -1.64070    3.29746
H      -1.41849    2.29300    1.99253
H      -0.55448    1.64070   -3.29746
H       1.41849   -2.29300   -1.99253
H       2.36663   -0.50682    0.13130
H      -3.23065    3.42688    5.15869
H      -2.36663    0.50682   -0.13130
H       3.23065   -3.42688   -5.15869
H       0.65316   -0.20800    0.47905
H      -1.51718    3.72570    4.81095
H      -0.65316    0.20800   -0.47905
H       1.51718   -3.72570   -4.81095
H       1.86895    0.04074    1.74375
H      -2.73296    3.97444    3.54624
H      -1.86895   -0.04074   -1.74375
H       2.73296   -3.97444   -3.54624
H       1.61212   -1.53170    0.40003
H      -2.47614    2.40200    4.88997
H      -1.61212    1.53170   -0.40003
H       2.47614   -2.40200   -4.88997
H       1.98882   -3.16188    2.39888
H      -2.85284    0.77181    2.89111
H      -1.98882    3.16188   -2.39888
H       2.85284   -0.77181   -2.89111
H       3.50783   -2.29140    2.63559
H      -4.37185    1.64230    2.65440
H      -3.50783    2.29140   -2.63559
H       4.37185   -1.64230   -2.65440
H       6.32472   -3.72523   -0.91469
H      -7.18874    0.20847    6.20468
H      -6.32472    3.72523    0.91469
H       7.18874   -0.20847   -6.20468
H       5.22149   -2.30229    0.71533
H      -6.08551    1.63141    4.57466
H      -5.22149    2.30229   -0.71533
H       6.08551   -1.63141   -4.57466
H       2.99610   -6.37918   -0.84063
H      -3.86011   -2.44547    6.13062
H      -2.99610    6.37918    0.84063
H       3.86011    2.44547   -6.13062
H       1.89663   -4.95185    0.78777
H      -2.76064   -1.01815    4.50222
H      -1.89663    4.95185   -0.78777
H       2.76064    1.01815   -4.50222
O       6.25438   -8.20119   -1.30133
O      -7.11840   -4.26748    6.59133
O      -6.25438    8.20119    1.30133
O       7.11840    4.26748   -6.59133
O       7.52864   -6.44389   -0.78920
O      -8.39265   -2.51018    6.07920
O      -7.52864    6.44389    0.78920
O       8.39265    2.51018   -6.07920
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.44505   -6.97523   -1.36671
C      -5.58103   -3.04154   -3.92328
C      -6.44505    6.97523    1.36671
C       5.58103    3.04154    3.92328
C       6.04323   -5.24370   -3.18565
C      -5.17921   -1.31001   -2.10434
C      -6.04323    5.24370    3.18565
C       5.17921    1.31001    2.10434
C       5.42604   -6.07790   -2.03212
C      -4.56202   -2.14421   -3.25788
C      -5.42604    6.07790    2.03212
C       4.56202    2.14421    3.25788
C       0.28438   -2.17306    2.38677
C       0.57964    1.76063   -7.67677
C      -0.28438    2.17306   -2.38677
C      -0.57964   -1.76063    7.67677
C       1.58913   -0.57800    0.89733
C      -0.72511    3.35569   -6.18732
C      -1.58913    0.57800   -0.89733
C       0.72511   -3.35569    6.18732
C       1.42324   -2.05910    1.33916
C      -0.55922    1.87459   -6.62915
C      -1.42324    2.05910   -1.33916
C       0.55922   -1.87459    6.62915
C       2.77476   -2.60729    1.88364
C      -1.91074    1.32640   -7.17363
C      -2.77476    2.60729   -1.88364
C       1.91074   -1.32640    7.17363
C       5.37897   -4.00238   -0.54958
C      -4.51496   -0.06869   -4.74041
C      -5.37897    4.00238    0.54958
C       4.51496    0.06869    4.74041
C       4.74421   -3.17989    0.38979
C      -3.88019    0.75380   -5.67978
C      -4.74421    3.17989   -0.38979
C       3.88019   -0.75380    5.67978
C       4.75701   -5.18024   -1.00571
C      -3.89299   -1.24655   -4.28428
C      -4.75701    5.18024    1.00571
C       3.89299    1.24655    4.28428
C       3.48554   -5.50904   -0.50700
C      -2.62153   -1.57535   -4.78299
C      -3.48554    5.50904    0.50700
C       2.62153    1.57535    4.78299
C       3.47429   -3.51911    0.89722
C      -2.61027    0.41457   -6.18721
C      -3.47429    3.51911   -0.89722
C       2.61027   -0.41457    6.18721
C       2.84889   -4.68873    0.43319
C      -1.98488   -0.75505   -5.72318
C      -2.84889    4.68873   -0.43319
C       1.98488    0.75505    5.72318
H       8.18342   -6.94845   -0.36414
H      -7.31940   -3.01476   -4.92585
H      -8.18342    6.94845    0.36414
H       7.31940    3.01476    4.92585
H       6.81686   -4.57332   -2.80820
H      -5.95285   -0.63963   -2.48179
H      -6.81686    4.57332    2.80820
H       5.95285    0.63963    2.48179
H       6.48622   -5.91261   -3.92744
H      -5.62220   -1.97891   -1.36255
H      -6.48622    5.91261    3.92744
H       5.62220    1.97891    1.36255
H       5.26518   -4.64970   -3.66973
H      -4.40116   -0.71600   -1.62027
H      -5.26518    4.64970    3.66973
H       4.40116    0.71600    1.62027
H       4.80802   -6.96682   -2.18147
H      -3.94400   -3.03313   -3.10853
H      -4.80802    6.96682    2.18147
H       3.94400    3.03313    3.10853
H      -0.63308   -1.74165    1.98251
H       1.49710    2.19204   -7.27251
H       0.63308    1.74165   -1.98251
H      -1.49710   -2.19204    7.27251
H       0.09546   -3.21887    2.62419
H       0.76856    0.71482   -7.91419
H      -0.09546    3.21887   -2.62419
H      -0.76856   -0.71482    7.91419
H       0.55448   -1.64070    3.29746
H       0.30954    2.29298   -8.58746
H      -0.55448    1.64070   -3.29746
H      -0.30954   -2.29298    8.58746
H       2.36663   -0.50682    0.13130
H      -1.50262    3.42687   -5.42130
H      -2.36663    0.50682   -0.13130
H       1.50262   -3.42687    5.42130
H       0.65316   -0.20800    0.47905
H       0.21085    3.72569   -5.76904
H      -0.65316    0.20800   -0.47905
H      -0.21085   -3.72569    5.76904
H       1.86895    0.04074    1.74375
H      -1.00493    3.97443   -7.03375
H      -1.86895   -0.04074   -1.74375
H       1.00493   -3.97443    7.03375
H       1.61212   -1.53170    0.40003
H      -0.74810    2.40199   -5.69002
H      -1.61212    1.53170   -0.40003
H       0.74810   -2.40199    5.69002
H       1.98882   -3.16188    2.39888
H      -1.12480    0.77180   -7.68888
H      -1.98882    3.16188   -2.39888
H       1.12480   -0.77180    7.68888
H       3.50783   -2.29140    2.63559
H      -2.64381    1.64228   -7.92558
H      -3.50783    2.29140   -2.63559
H       2.64381   -1.64228    7.92558
H       6.32472   -3.72523   -0.91469
H      -5.46070    0.20846   -4.37531
H      -6.32472    3.72523    0.91469
H       5.46070   -0.20846    4.37531
H       5.22149   -2.30229    0.71533
H      -4.35747    1.63140   -6.00532
H      -5.22149    2.30229   -0.71533
H       4.35747   -1.63140    6.00532
H       2.99610   -6.37918   -0.84063
H      -2.13208   -2.44548   -4.44936
H      -2.99610    6.37918    0.84063
H       2.13208    2.44548    4.44936
H       1.89663   -4.95185    0.78777
H      -1.03261   -1.01817   -6.07777
H      -1.89663    4.95185   -0.78777
H       1.03261    1.01817    6.07777
O       6.27640   -8.19066   -1.29617
O      -5.41238   -4.25697   -3.99383
O      -6.27640    8.19066    1.29617
O       5.41238    4.25697    3.99383
O       7.54007   -6.42060   -0.80209
O      -6.67606   -2.48690   -4.48790
O      -7.54007    6.42060    0.80209
O       6.67606    2.48690    4.48790
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.44661   -6.97366   -1.36704
C      -5.58259   -3.03997   -3.92295
C      -6.44661    6.97366    1.36704
C       5.58259    3.03997    3.92295
C       6.04121   -5.24385   -3.18682
C      -5.17719   -1.31015   -2.10318
C      -6.04121    5.24385    3.18682
C       5.17719    1.31015    2.10318
C       5.42604   -6.07790   -2.03212
C      -4.56202   -2.14421   -3.25788
C      -5.42604    6.07790    2.03212
C       4.56202    2.14421    3.25788
C       0.28438   -2.17306    2.38677
C       0.57964    1.76063   -7.67677
C      -0.28438    2.17306   -2.38677
C      -0.57964   -1.76063    7.67677
C       1.58913   -0.57800    0.89733
C      -0.72511    3.35569   -6.18732
C      -1.58913    0.57800   -0.89733
C       0.72511   -3.35569    6.18732
C       1.42324   -2.05910    1.33916
C      -0.55922    1.87459   -6.62915
C      -1.42324    2.05910   -1.33916
C       0.55922   -1.87459    6.62915
C       2.77476   -2.60729    1.88364
C      -1.91074    1.32640   -7.17363
C      -2.77476    2.60729   -1.88364
C       1.91074   -1.32640    7.17363
C       5.37897   -4.00238   -0.54958
C      -4.51496   -0.06869   -4.74041
C      -5.37897    4.00238    0.54958
C       4.51496    0.06869    4.74041
C       4.74421   -3.17989    0.38979
C      -3.88019    0.75380   -5.67978
C      -4.74421    3.17989   -0.38979
C       3.88019   -0.75380    5.67978
C       4.75701   -5.18024   -1.00571
C      -3.89299   -1.24655   -4.28428
C      -4.75701    5.18024    1.00571
C       3.89299    1.24655    4.28428
C       3.48554   -5.50904   -0.50700
C      -2.62153   -1.57535   -4.78299
C      -3.48554    5.50904    0.50700
C       2.62153    1.57535    4.78299
C       3.47429   -3.51911    0.89722
C      -2.61027    0.41457   -6.18721
C      -3.47429    3.51911   -0.89722
C       2.61027   -0.41457    6.18721
C       2.84889   -4.68873    0.43319
C      -1.98488   -0.75505   -5.72318
C      -2.84889    4.68873   -0.43319
C       1.98488    0.75505    5.72318
H       8.18589   -6.94432   -0.36613
H      -7.32187   -3.01062   -4.92386
H      -8.18589    6.94432    0.36613
H       7.32187    3.01062    4.92386
H       6.81448   -4.57237   -2.81057
H      -5.95046   -0.63867   -2.47943
H      -6.81448    4.57237    2.81057
H       5.95046    0.63867    2.47943
H       6.48423   -5.91281   -3.92856
H      -5.62021   -1.97911   -1.36144
H      -6.48423    5.91281    3.92856
H       5.62021    1.97911    1.36144
H       5.26207   -4.65103   -3.67058
H      -4.39805   -0.71733   -1.61942
H      -5.26207    4.65103    3.67058
H       4.39805    0.71733    1.61942
H       4.80802   -6.96682   -2.18147
H      -3.94400   -3.03313   -3.10853
H      -4.80802    6.96682    2.18147
H       3.94400    3.03313    3.10853
H      -0.63308   -1.74165    1.98251
H       1.49710    2.19204   -7.27251
H       0.63308    1.74165   -1.98251
H      -1.49710   -2.19204    7.27251
H       0.09546   -3.21887    2.62419
H       0.76856    0.71482   -7.91419
H      -0.09546    3.21887   -2.62419
H      -0.76856   -0.71482    7.91419
H       0.55448   -1.64070    3.29746
H       0.30954    2.29298   -8.58746
H      -0.55448    1.64070   -3.29746
H      -0.30954   -2.29298    8.58746
H       2.36663   -0.50682    0.13130
H      -1.50262    3.42687   -5.42130
H      -2.36663    0.50682   -0.13130
H       1.50262   -3.42687    5.42130
H       0.65316   -0.20800    0.47905
H       0.21085    3.72569   -5.76904
H      -0.65316    0.20800   -0.47905
H      -0.21085   -3.72569    5.76904
H       1.86895    0.04074    1.74375
H      -1.00493    3.97443   -7.03375
H      -1.86895   -0.04074   -1.74375
H       1.00493   -3.97443    7.03375
H       1.61212   -1.53170    0.40003
H      -0.74810    2.40199   -5.69002
H      -1.61212    1.53170   -0.40003
H       0.74810   -2.40199    5.69002
H       1.98882   -3.16188    2.39888
H      -1.12480    0.77180   -7.68888
H      -1.98882    3.16188   -2.39888
H       1.12480   -0.77180    7.68888
H       3.50783   -2.29140    2.63559
H      -2.64381    1.64228   -7.92558
H      -3.50783    2.29140   -2.63559
H       2.64381   -1.64228    7.92558
H       6.32472   -3.72523   -0.91469
H      -5.46070    0.20846   -4.37531
H      -6.32472    3.72523    0.91469
H       5.46070   -0.20846    4.37531
H       5.22149   -2.30229    0.71533
H      -4.35747    1.63140   -6.00532
H      -5.22149    2.30229   -0.71533
H       4.35747   -1.63140    6.00532
H       2.99610   -6.37918   -0.84063
H      -2.13208   -2.44548   -4.44936
H      -2.99610    6.37918    0.84063
H       2.13208    2.44548    4.44936
H       1.89663   -4.95185    0.78777
H      -1.03261   -1.01817   -6.07777
H      -1.89663    4.95185   -0.78777
H       1.03261    1.01817    6.07777
O       6.27933   -8.18922   -1.29548
O      -5.41531   -4.25553   -3.99451
O      -6.27933    8.18922    1.29548
O       5.41531    4.25553    3.99451
O       7.54156   -6.41746   -0.80384
O      -6.67754   -2.48376   -4.48615
O      -7.54156    6.41746    0.80384
O       6.67754    2.48376    4.48615
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32035   -6.97398   -1.59433
C      -5.45633   -3.04029   -3.69566
C      -6.32035    6.97398    1.59433
C       5.45633    3.04029    3.69566
C       6.12124   -5.02457   -3.21555
C      -5.25722   -1.09087   -2.07445
C      -6.12124    5.02457    3.21555
C       5.25722    1.09087    2.07445
C       5.39425   -5.94170   -2.19683
C      -4.53024   -2.00800   -3.09316
C      -5.39425    5.94170    2.19683
C       4.53024    2.00800    3.09316
C       0.26882   -2.23004    2.40369
C       0.59519    1.70365   -7.69368
C      -0.26882    2.23004   -2.40369
C      -0.59519   -1.70365    7.69368
C       1.74789   -0.56672    1.17455
C      -0.88388    3.36696   -6.46454
C      -1.74789    0.56672   -1.17455
C       0.88388   -3.36696    6.46454
C       1.46780   -2.07405    1.43126
C      -0.60378    1.85964   -6.72125
C      -1.46780    2.07405   -1.43126
C       0.60378   -1.85964    6.72125
C       2.75159   -2.77029    1.97044
C      -1.88757    1.16340   -7.26043
C      -2.75159    2.77029   -1.97044
C       1.88757   -1.16340    7.26043
C       5.39389   -4.05041   -0.48484
C      -4.52987   -0.11671   -4.80515
C      -5.39389    4.05041    0.48484
C       4.52987    0.11671    4.80515
C       4.76056   -3.29968    0.51375
C      -3.89655    0.63401   -5.80374
C      -4.76056    3.29968   -0.51375
C       3.89655   -0.63401    5.80374
C       4.72665   -5.12410   -1.10470
C      -3.86264   -1.19040   -4.18529
C      -4.72665    5.12410    1.10470
C       3.86264    1.19040    4.18529
C       3.41220   -5.42152   -0.70820
C      -2.54819   -1.48783   -4.58179
C      -3.41220    5.42152    0.70820
C       2.54819    1.48783    4.58179
C       3.44654   -3.60853    0.91774
C      -2.58252    0.32515   -6.20773
C      -3.44654    3.60853   -0.91774
C       2.58252   -0.32515    6.20773
C       2.77683   -4.67293    0.29084
C      -1.91281   -0.73924   -5.58084
C      -2.77683    4.67293   -0.29084
C       1.91281    0.73924    5.58084
H       8.00117   -7.17586   -0.51642
H      -7.13715   -3.24217   -4.77357
H      -8.00117    7.17586    0.51642
H       7.13715    3.24217    4.77357
H       6.91259   -4.45385   -2.72725
H      -6.04857   -0.52015   -2.56274
H      -6.91259    4.45385    2.72725
H       6.04857    0.52015    2.56274
H       6.56211   -5.63277   -4.00906
H      -5.69810   -1.69907   -1.28093
H      -6.56211    5.63277    4.00906
H       5.69810    1.69907    1.28093
H       5.40733   -4.32945   -3.66241
H      -4.54331   -0.39576   -1.62759
H      -5.40733    4.32945    3.66241
H       4.54331    0.39576    1.62759
H       4.73197   -6.76426   -2.47828
H      -3.86795   -2.83056   -2.81171
H      -4.73197    6.76426    2.47828
H       3.86795    2.83056    2.81171
H      -0.59714   -1.69470    2.01026
H       1.46116    2.23899   -7.30025
H       0.59714    1.69470   -2.01026
H      -1.46116   -2.23899    7.30025
H       0.00356   -3.28104    2.50762
H       0.86046    0.65264   -7.79762
H      -0.00356    3.28104   -2.50762
H      -0.86046   -0.65264    7.79762
H       0.52111   -1.82439    3.38221
H       0.34291    2.10929   -8.67221
H      -0.52111    1.82439   -3.38221
H      -0.34291   -2.10929    8.67221
H       2.56879   -0.46099    0.45949
H      -1.70478    3.47269   -5.74948
H      -2.56879    0.46099   -0.45949
H       1.70478   -3.47269    5.74948
H       0.86048   -0.08942    0.75914
H       0.00354    3.84427   -6.04914
H      -0.86048    0.08942   -0.75914
H      -0.00354   -3.84427    6.04914
H       2.01865   -0.06877    2.09992
H      -1.15463    3.86491   -7.38991
H      -2.01865    0.06877   -2.09992
H       1.15463   -3.86491    7.38991
H       1.73942   -1.45685    0.57041
H      -0.87540    2.47684   -5.86040
H      -1.73942    1.45685   -0.57041
H       0.87540   -2.47684    5.86040
H       1.90630   -3.32600    2.37961
H      -1.04228    0.60768   -7.66961
H      -1.90630    3.32600   -2.37961
H       1.04228   -0.60768    7.66961
H       3.46066   -2.59218    2.78781
H      -2.59665    1.34150   -8.07781
H      -3.46066    2.59218   -2.78781
H       2.59665   -1.34150    8.07781
H       6.37329   -3.79755   -0.77013
H      -5.50927    0.13614   -4.51986
H      -6.37329    3.79755    0.77013
H       5.50927   -0.13614    4.51986
H       5.27231   -2.49900    0.96205
H      -4.40829    1.43469   -6.25204
H      -5.27231    2.49900   -0.96205
H       4.40829   -1.43469    6.25204
H       2.88923   -6.21307   -1.16422
H      -2.02522   -2.27937   -4.12577
H      -2.88923    6.21307    1.16422
H       2.02522    2.27937    4.12577
H       1.79236   -4.91024    0.56705
H      -0.92834   -0.97655   -5.85704
H      -1.79236    4.91024   -0.56705
H       0.92834    0.97655    5.85704
O       6.07528   -8.17577   -1.67383
O      -5.21126   -4.24207   -3.61616
O      -6.07528    8.17577    1.67383
O       5.21126    4.24207    3.61616
O       7.41508   -6.56044   -0.91902
O      -6.55106   -2.62675   -4.37097
O      -7.41508    6.56044    0.91902
O       6.55106    2.62675    4.37097
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32035   -6.97398   -1.59433
C      -5.45633   -3.04029   -3.69566
C      -6.32035    6.97398    1.59433
C       5.45633    3.04029    3.69566
C       6.12124   -5.02457   -3.21555
C      -5.25722   -1.09087   -2.07445
C      -6.12124    5.02457    3.21555
C       5.25722    1.09087    2.07445
C       5.39425   -5.94170   -2.19683
C      -4.53024   -2.00800   -3.09316
C      -5.39425    5.94170    2.19683
C       4.53024    2.00800    3.09316
C       0.26882   -2.23004    2.40369
C       0.59519    1.70365   -7.69368
C      -0.26882    2.23004   -2.40369
C      -0.59519   -1.70365    7.69368
C       1.74789   -0.56672    1.17455
C      -0.88388    3.36696   -6.46454
C      -1.74789    0.56672   -1.17455
C       0.88388   -3.36696    6.46454
C       1.46780   -2.07405    1.43126
C      -0.60378    1.85964   -6.72125
C      -1.46780    2.07405   -1.43126
C       0.60378   -1.85964    6.72125
C       2.75159   -2.77029    1.97044
C      -1.88757    1.16340   -7.26043
C      -2.75159    2.77029   -1.97044
C       1.88757   -1.16340    7.26043
C       5.39389   -4.05041   -0.48484
C      -4.52987   -0.11671   -4.80515
C      -5.39389    4.05041    0.48484
C       4.52987    0.11671    4.80515
C       4.76056   -3.29968    0.51375
C      -3.89655    0.63401   -5.80374
C      -4.76056    3.29968   -0.51375
C       3.89655   -0.63401    5.80374
C       4.72665   -5.12410   -1.10470
C      -3.86264   -1.19040   -4.18529
C      -4.72665    5.12410    1.10470
C       3.86264    1.19040    4.18529
C       3.41220   -5.42152   -0.70820
C      -2.54819   -1.48783   -4.58179
C      -3.41220    5.42152    0.70820
C       2.54819    1.48783    4.58179
C       3.44654   -3.60853    0.91774
C      -2.58252    0.32515   -6.20773
C      -3.44654    3.60853   -0.91774
C       2.58252   -0.32515    6.20773
C       2.77683   -4.67293    0.29084
C      -1.91281   -0.73924   -5.58084
C      -2.77683    4.67293   -0.29084
C       1.91281    0.73924    5.58084
H       8.01875   -7.17645   -0.54451
H      -7.15473   -3.24276   -4.74548
H      -8.01875    7.17645    0.54451
H       7.15473    3.24276    4.74548
H       6.91259   -4.45385   -2.72725
H      -6.04857   -0.52015   -2.56274
H      -6.91259    4.45385    2.72725
H       6.04857    0.52015    2.56274
H       6.56211   -5.63277   -4.00906
H      -5.69810   -1.69907   -1.28093
H      -6.56211    5.63277    4.00906
H       5.69810    1.69907    1.28093
H       5.40733   -4.32945   -3.66241
H      -4.54331   -0.39576   -1.62759
H      -5.40733    4.32945    3.66241
H       4.54331    0.39576    1.62759
H       4.73197   -6.76426   -2.47828
H      -3.86795   -2.83056   -2.81171
H      -4.73197    6.76426    2.47828
H       3.86795    2.83056    2.81171
H      -0.59714   -1.69470    2.01026
H       1.46116    2.23899   -7.30025
H       0.59714    1.69470   -2.01026
H      -1.46116   -2.23899    7.30025
H       0.00356   -3.28104    2.50762
H       0.86046    0.65264   -7.79762
H      -0.00356    3.28104   -2.50762
H      -0.86046   -0.65264    7.79762
H       0.52111   -1.82439    3.38221
H       0.34291    2.10929   -8.67221
H      -0.52111    1.82439   -3.38221
H      -0.34291   -2.10929    8.67221
H       2.56879   -0.46099    0.45949
H      -1.70478    3.47269   -5.74948
H      -2.56879    0.46099   -0.45949
H       1.70478   -3.47269    5.74948
H       0.86048   -0.08942    0.75914
H       0.00354    3.84427   -6.04914
H      -0.86048    0.08942   -0.75914
H      -0.00354   -3.84427    6.04914
H       2.01865   -0.06877    2.09992
H      -1.15463    3.86491   -7.38991
H      -2.01865    0.06877   -2.09992
H       1.15463   -3.86491    7.38991
H       1.73942   -1.45685    0.57041
H      -0.87540    2.47684   -5.86040
H      -1.73942    1.45685   -0.57041
H       0.87540   -2.47684    5.86040
H       1.90630   -3.32600    2.37961
H      -1.04228    0.60768   -7.66961
H      -1.90630    3.32600   -2.37961
H       1.04228   -0.60768    7.66961
H       3.46066   -2.59218    2.78781
H      -2.59665    1.34150   -8.07781
H      -3.46066    2.59218   -2.78781
H       2.59665   -1.34150    8.07781
H       6.37329   -3.79755   -0.77013
H      -5.50927    0.13614   -4.51986
H      -6.37329    3.79755    0.77013
H       5.50927   -0.13614    4.51986
H       5.27231   -2.49900    0.96205
H      -4.40829    1.43469   -6.25204
H      -5.27231    2.49900   -0.96205
H       4.40829   -1.43469    6.25204
H       2.88923   -6.21307   -1.16422
H      -2.02522   -2.27937   -4.12577
H      -2.88923    6.21307    1.16422
H       2.02522    2.27937    4.12577
H       1.79236   -4.91024    0.56705
H      -0.92834   -0.97655   -5.85704
H      -1.79236    4.91024   -0.56705
H       0.92834    0.97655    5.85704
O       6.06094   -8.17415   -1.64907
O      -5.19692   -4.24045   -3.64093
O      -6.06094    8.17415    1.64907
O       5.19692    4.24045    3.64093
O       7.43186   -6.56137   -0.94647
O      -6.56784   -2.62768   -4.34352
O      -7.43186    6.56137    0.94647
O       6.56784    2.62768    4.34352
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32035   -6.97398   -1.59433
C      -5.45633   -3.04029   -3.69566
C      -6.32035    6.97398    1.59433
C       5.45633    3.04029    3.69566
C       6.12124   -5.02457   -3.21555
C      -5.25722   -1.09087   -2.07445
C      -6.12124    5.02457    3.21555
C       5.25722    1.09087    2.07445
C       5.39425   -5.94170   -2.19683
C      -4.53024   -2.00800   -3.09316
C      -5.39425    5.94170    2.19683
C       4.53024    2.00800    3.09316
C       0.26882   -2.23004    2.40369
C       0.59519    1.70365   -7.69368
C      -0.26882    2.23004   -2.40369
C      -0.59519   -1.70365    7.69368
C       1.74789   -0.56672    1.17455
C      -0.88388    3.36696   -6.46454
C      -1.74789    0.56672   -1.17455
C       0.88388   -3.36696    6.46454
C       1.46780   -2.07405    1.43126
C      -0.60378    1.85964   -6.72125
C      -1.46780    2.07405   -1.43126
C       0.60378   -1.85964    6.72125
C       2.75159   -2.77029    1.97044
C      -1.88757    1.16340   -7.26043
C      -2.75159    2.77029   -1.97044
C       1.88757   -1.16340    7.26043
C       5.39389   -4.05041   -0.48484
C      -4.52987   -0.11671   -4.80515
C      -5.39389    4.05041    0.48484
C       4.52987    0.11671    4.80515
C       4.76056   -3.29968    0.51375
C      -3.89655    0.63401   -5.80374
C      -4.76056    3.29968   -0.51375
C       3.89655   -0.63401    5.80374
C       4.72665   -5.12410   -1.10470
C      -3.86264   -1.19040   -4.18529
C      -4.72665    5.12410    1.10470
C       3.86264    1.19040    4.18529
C       3.41220   -5.42152   -0.70820
C      -2.54819   -1.48783   -4.58179
C      -3.41220    5.42152    0.70820
C       2.54819    1.48783    4.58179
C       3.44654   -3.60853    0.91774
C      -2.58252    0.32515   -6.20773
C      -3.44654    3.60853   -0.91774
C       2.58252   -0.32515    6.20773
C       2.77683   -4.67293    0.29084
C      -1.91281   -0.73924   -5.58084
C      -2.77683    4.67293   -0.29084
C       1.91281    0.73924    5.58084
H       8.07922   -7.18439   -0.65112
H      -7.21520   -3.25070   -4.63887
H      -8.07922    7.18439    0.65112
H       7.21520    3.25070    4.63887
H       6.91259   -4.45385   -2.72725
H      -6.04857   -0.52015   -2.56274
H      -6.91259    4.45385    2.72725
H       6.04857    0.52015    2.56274
H       6.56211   -5.63277   -4.00906
H      -5.69810   -1.69907   -1.28093
H      -6.56211    5.63277    4.00906
H       5.69810    1.69907    1.28093
H       5.40733   -4.32945   -3.66241
H      -4.54331   -0.39576   -1.62759
H      -5.40733    4.32945    3.66241
H       4.54331    0.39576    1.62759
H       4.73197   -6.76426   -2.47828
H      -3.86795   -2.83056   -2.81171
H      -4.73197    6.76426    2.47828
H       3.86795    2.83056    2.81171
H      -0.59714   -1.69470    2.01026
H       1.46116    2.23899   -7.30025
H       0.59714    1.69470   -2.01026
H      -1.46116   -2.23899    7.30025
H       0.00356   -3.28104    2.50762
H       0.86046    0.65264   -7.79762
H      -0.00356    3.28104   -2.50762
H      -0.86046   -0.65264    7.79762
H       0.52111   -1.82439    3.38221
H       0.34291    2.10929   -8.67221
H      -0.52111    1.82439   -3.38221
H      -0.34291   -2.10929    8.67221
H       2.56879   -0.46099    0.45949
H      -1.70478    3.47269   -5.74948
H      -2.56879    0.46099   -0.45949
H       1.70478   -3.47269    5.74948
H       0.86048   -0.08942    0.75914
H       0.00354    3.84427   -6.04914
H      -0.86048    0.08942   -0.75914
H      -0.00354   -3.84427    6.04914
H       2.01865   -0.06877    2.09992
H      -1.15463    3.86491   -7.38991
H      -2.01865    0.06877   -2.09992
H       1.15463   -3.86491    7.38991
H       1.73942   -1.45685    0.57041
H      -0.87540    2.47684   -5.86040
H      -1.73942    1.45685   -0.57041
H       0.87540   -2.47684    5.86040
H       1.90630   -3.32600    2.37961
H      -1.04228    0.60768   -7.66961
H      -1.90630    3.32600   -2.37961
H       1.04228   -0.60768    7.66961
H       3.46066   -2.59218    2.78781
H      -2.59665    1.34150   -8.07781
H      -3.46066    2.59218   -2.78781
H       2.59665   -1.34150    8.07781
H       6.37329   -3.79755   -0.77013
H      -5.50927    0.13614   -4.51986
H      -6.37329    3.79755    0.77013
H       5.50927   -0.13614    4.51986
H       5.27231   -2.49900    0.96205
H      -4.40829    1.43469   -6.25204
H      -5.27231    2.49900   -0.96205
H       4.40829   -1.43469    6.25204
H       2.88923   -6.21307   -1.16422
H      -2.02522   -2.27937   -4.12577
H      -2.88923    6.21307    1.16422
H       2.02522    2.27937    4.12577
H       1.79236   -4.91024    0.56705
H      -0.92834   -0.97655   -5.85704
H      -1.79236    4.91024   -0.56705
H       0.92834    0.97655    5.85704
O       6.01219   -8.16320   -1.55543
O      -5.14818   -4.22950   -3.73456
O      -6.01219    8.16320    1.55543
O       5.14818    4.22950    3.73456
O       7.48943   -6.57042   -1.05052
O      -6.62541   -2.63673   -4.23947
O      -7.48943    6.57042    1.05052
O       6.62541    2.63673    4.23947
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.32035   -6.97398   -1.59433
C      -5.45633   -3.04029   -3.69566
C      -6.32035    6.97398    1.59433
C       5.45633    3.04029    3.69566
C       6.12124   -5.02457   -3.21555
C      -5.25722   -1.09087   -2.07445
C      -6.12124    5.02457    3.21555
C       5.25722    1.09087    2.07445
C       5.39425   -5.94170   -2.19683
C      -4.53024   -2.00800   -3.09316
C      -5.39425    5.94170    2.19683
C       4.53024    2.00800    3.09316
C       0.31862   -2.08385    2.47379
C       0.54540    1.84983   -7.76379
C      -0.31862    2.08385   -2.47379
C      -0.54540   -1.84983    7.76379
C       1.79080   -0.61189    1.01398
C      -0.92678    3.32179   -6.30397
C      -1.79080    0.61189   -1.01398
C       0.92678   -3.32179    6.30397
C       1.46780   -2.07405    1.43126
C      -0.60378    1.85964   -6.72125
C      -1.46780    2.07405   -1.43126
C       0.60378   -1.85964    6.72125
C       2.75159   -2.77029    1.97044
C      -1.88757    1.16340   -7.26043
C      -2.75159    2.77029   -1.97044
C       1.88757   -1.16340    7.26043
C       5.39389   -4.05041   -0.48484
C      -4.52987   -0.11671   -4.80515
C      -5.39389    4.05041    0.48484
C       4.52987    0.11671    4.80515
C       4.76056   -3.29968    0.51375
C      -3.89655    0.63401   -5.80374
C      -4.76056    3.29968   -0.51375
C       3.89655   -0.63401    5.80374
C       4.72665   -5.12410   -1.10470
C      -3.86264   -1.19040   -4.18529
C      -4.72665    5.12410    1.10470
C       3.86264    1.19040    4.18529
C       3.41220   -5.42152   -0.70820
C      -2.54819   -1.48783   -4.58179
C      -3.41220    5.42152    0.70820
C       2.54819    1.48783    4.58179
C       3.44654   -3.60853    0.91774
C      -2.58252    0.32515   -6.20773
C      -3.44654    3.60853   -0.91774
C       2.58252   -0.32515    6.20773
C       2.77683   -4.67293    0.29084
C      -1.91281   -0.73924   -5.58084
C      -2.77683    4.67293   -0.29084
C       1.91281    0.73924    5.58084
H       8.07922   -7.18439   -0.65112
H      -7.21520   -3.25070   -4.63887
H      -8.07922    7.18439    0.65112
H       7.21520    3.25070    4.63887
H       6.91259   -4.45385   -2.72725
H      -6.04857   -0.52015   -2.56274
H      -6.91259    4.45385    2.72725
H       6.04857    0.52015    2.56274
H       6.56211   -5.63277   -4.00906
H      -5.69810   -1.69907   -1.28093
H      -6.56211    5.63277    4.00906
H       5.69810    1.69907    1.28093
H       5.40733   -4.32945   -3.66241
H      -4.54331   -0.39576   -1.62759
H      -5.40733    4.32945    3.66241
H       4.54331    0.39576    1.62759
H       4.73197   -6.76426   -2.47828
H      -3.86795   -2.83056   -2.81171
H      -4.73197    6.76426    2.47828
H       3.86795    2.83056    2.81171
H      -0.54646   -1.55173    2.07410
H       1.41048    2.38195   -7.36409
H       0.54646    1.55173   -2.07410
H      -1.41048   -2.38195    7.36409
H       0.01946   -3.10754    2.69369
H       0.84455    0.82615   -7.98369
H      -0.01946    3.10754   -2.69369
H      -0.84455   -0.82615    7.98369
H       0.63930   -1.59746    3.39373
H       0.22472    2.33623   -8.68373
H      -0.63930    1.59746   -3.39373
H      -0.22472   -2.33623    8.68373
H       2.57484   -0.61097    0.25132
H      -1.71083    3.32272   -5.54132
H      -2.57484    0.61097   -0.25132
H       1.71083   -3.32272    5.54132
H       0.90090   -0.13866    0.59922
H      -0.03688    3.79503   -5.88921
H      -0.90090    0.13866   -0.59922
H       0.03688   -3.79503    5.88921
H       2.13053   -0.03961    1.87109
H      -1.26652    3.89408   -7.16108
H      -2.13053    0.03961   -1.87109
H       1.26652   -3.89408    7.16108
H       1.73942   -1.45685    0.57041
H      -0.87540    2.47684   -5.86040
H      -1.73942    1.45685   -0.57041
H       0.87540   -2.47684    5.86040
H       1.90630   -3.32600    2.37961
H      -1.04228    0.60768   -7.66961
H      -1.90630    3.32600   -2.37961
H       1.04228   -0.60768    7.66961
H       3.46066   -2.59218    2.78781
H      -2.59665    1.34150   -8.07781
H      -3.46066    2.59218   -2.78781
H       2.59665   -1.34150    8.07781
H       6.37329   -3.79755   -0.77013
H      -5.50927    0.13614   -4.51986
H      -6.37329    3.79755    0.77013
H       5.50927   -0.13614    4.51986
H       5.27231   -2.49900    0.96205
H      -4.40829    1.43469   -6.25204
H      -5.27231    2.49900   -0.96205
H       4.40829   -1.43469    6.25204
H       2.88923   -6.21307   -1.16422
H      -2.02522   -2.27937   -4.12577
H      -2.88923    6.21307    1.16422
H       2.02522    2.27937    4.12577
H       1.79236   -4.91024    0.56705
H      -0.92834   -0.97655   -5.85704
H      -1.79236    4.91024   -0.56705
H       0.92834    0.97655    5.85704
O       6.01219   -8.16320   -1.55543
O      -5.14818   -4.22950   -3.73456
O      -6.01219    8.16320    1.55543
O       5.14818    4.22950    3.73456
O       7.48943   -6.57042   -1.05052
O      -6.62541   -2.63673   -4.23947
O      -7.48943    6.57042    1.05052
O       6.62541    2.63673    4.23947
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -0.27972   -6.45344   -6.73214
C       1.14374   -2.51974    1.44215
C       0.27972    6.45344    6.73214
C      -1.14374    2.51974   -1.44215
C      -0.47883   -4.50403   -8.35336
C       1.34285   -0.57032    3.06336
C       0.47883    4.50403    8.35336
C      -1.34285    0.57032   -3.06336
C      -1.20582   -5.42116   -7.33464
C       2.06984   -1.48745    2.04465
C       1.20582    5.42116    7.33464
C      -2.06984    1.48745   -2.04465
C      -6.28145   -1.56331   -2.66401
C       7.14547    2.37038   -2.62598
C       6.28145    1.56331    2.66401
C      -7.14547   -2.37038    2.62598
C      -4.80927   -0.09136   -4.12383
C       5.67329    3.84234   -1.16616
C       4.80927    0.09136    4.12383
C      -5.67329   -3.84234    1.16616
C      -5.13228   -1.55351   -3.70655
C       5.99629    2.38019   -1.58344
C       5.13227    1.55351    3.70655
C      -5.99629   -2.38019    1.58344
C      -3.84848   -2.24975   -3.16737
C       4.71250    1.68395   -2.12262
C       3.84848    2.24975    3.16737
C      -4.71250   -1.68395    2.12262
C      -1.20618   -3.52987   -5.62265
C       2.07020    0.40383    0.33265
C       1.20618    3.52987    5.62265
C      -2.07020   -0.40383   -0.33266
C      -1.83951   -2.77915   -4.62406
C       2.70352    1.15455   -0.66593
C       1.83951    2.77915    4.62406
C      -2.70352   -1.15455    0.66593
C      -1.87342   -4.60356   -6.24251
C       2.73744   -0.66985    0.95252
C       1.87342    4.60356    6.24251
C      -2.73744    0.66985   -0.95252
C      -3.18787   -4.90098   -5.84601
C       4.05189   -0.96728    0.55602
C       3.18787    4.90098    5.84601
C      -4.05189    0.96728   -0.55602
C      -3.15353   -3.08800   -4.22007
C       4.01755    0.84570   -1.06992
C       3.15353    3.08800    4.22007
C      -4.01755   -0.84570    1.06992
C      -3.82325   -4.15239   -4.84696
C       4.68726   -0.21869   -0.44303
C       3.82325    4.15239    4.84696
C      -4.68726    0.21869    0.44303
H       1.47915   -6.66385   -5.78893
H      -0.61513   -2.73015    0.49894
H      -1.47915    6.66385    5.78893
H       0.61513    2.73015   -0.49894
H       0.31252   -3.93331   -7.86506
H       0.55150    0.00040    2.57506
H      -0.31252    3.93331    7.86506
H      -0.55150   -0.00040   -2.57506
H      -0.03796   -5.11223   -9.14687
H       0.90197   -1.17852    3.85687
H       0.03796    5.11223    9.14687
H      -0.90197    1.17852   -3.85688
H      -1.19274   -3.80892   -8.80022
H       2.05676    0.12479    3.51022
H       1.19274    3.80892    8.80022
H      -2.05676   -0.12479   -3.51022
H      -1.86810   -6.24372   -7.61609
H       2.73212   -2.31001    2.32610
H       1.86810    6.24372    7.61609
H      -2.73212    2.31001   -2.32610
H      -7.14653   -1.03120   -3.06371
H       8.01055    2.90250   -2.22628
H       7.14653    1.03120    3.06371
H      -8.01055   -2.90250    2.22628
H      -6.58061   -2.58700   -2.44411
H       7.44462    1.34669   -2.84588
H       6.58061    2.58700    2.44411
H      -7.44462   -1.34669    2.84588
H      -5.96077   -1.07692   -1.74408
H       6.82479    2.85677   -3.54592
H       5.96077    1.07692    1.74408
H      -6.82479   -2.85677    3.54592
H      -4.02523   -0.09044   -4.88648
H       4.88924    3.84326   -0.40351
H       4.02523    0.09044    4.88648
H      -4.88924   -3.84326    0.40351
H      -5.69917    0.38188   -4.53859
H       6.56319    4.31558   -0.75140
H       5.69917   -0.38188    4.53859
H      -6.56319   -4.31558    0.75140
H      -4.46954    0.48093   -3.26672
H       5.33355    4.41463   -2.02327
H       4.46954   -0.48093    3.26672
H      -5.33355   -4.41463    2.02327
H      -4.86065   -0.93631   -4.56740
H       5.72467    2.99739   -0.72259
H       4.86065    0.93631    4.56740
H      -5.72467   -2.99739    0.72259
H      -4.69377   -2.80547   -2.75820
H       5.55779    1.12823   -2.53180
H       4.69377    2.80547    2.75820
H      -5.55779   -1.12823    2.53180
H      -3.13941   -2.07165   -2.35000
H       4.00342    1.86205   -2.94000
H       3.13941    2.07165    2.35000
H      -4.00342   -1.86205    2.94000
H      -0.22678   -3.27702   -5.90794
H       1.09080    0.65669    0.61795
H       0.22678    3.27702    5.90794
H      -1.09080   -0.65669   -0.61795
H      -1.32776   -1.97846   -4.17576
H       2.19178    1.95524   -1.11423
H       1.32776    1.97846    4.17576
H      -2.19178   -1.95524    1.11423
H      -3.71084   -5.69253   -6.30203
H       4.57485   -1.75882    1.01204
H       3.71084    5.69253    6.30203
H      -4.57485    1.75882   -1.01204
H      -4.80771   -4.38970   -4.57076
H       5.67173   -0.45600   -0.71923
H       4.80771    4.38970    4.57076
H      -5.67173    0.45600    0.71923
O      -0.58788   -7.64266   -6.69324
O       1.45189   -3.70895    1.40325
O       0.58788    7.64266    6.69324
O      -1.45189    3.70895   -1.40325
O       0.88936   -6.04988   -6.18833
O      -0.02534   -2.11618    0.89834
O      -0.88936    6.04988    6.18833
O       0.02534    2.11618   -0.89834
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C      -0.27972   -6.45344   -6.73214
C       1.14374   -2.51974    1.44215
C       0.27972    6.45344    6.73214
C      -1.14374    2.51974   -1.44215
C      -0.47883   -4.50403   -8.35336
C       1.34285   -0.57032    3.06336
C       0.47883    4.50403    8.35336
C      -1.34285    0.57032   -3.06336
C      -1.20582   -5.42116   -7.33464
C       2.06984   -1.48745    2.04465
C       1.20582    5.42116    7.33464
C      -2.06984    1.48745   -2.04465
C      -6.27412   -1.54348   -2.65595
C       7.13813    2.39022   -2.63405
C       6.27412    1.54348    2.65595
C      -7.13813   -2.39022    2.63405
C      -4.80436   -0.09869   -4.14506
C       5.66838    3.83501   -1.14493
C       4.80436    0.09869    4.14506
C      -5.66838   -3.83501    1.14493
C      -5.13228   -1.55351   -3.70655
C       5.99629    2.38019   -1.58344
C       5.13227    1.55351    3.70655
C      -5.99629   -2.38019    1.58344
C      -3.84848   -2.24975   -3.16737
C       4.71250    1.68395   -2.12262
C       3.84848    2.24975    3.16737
C      -4.71250   -1.68395    2.12262
C      -1.20618   -3.52987   -5.62265
C       2.07020    0.40383    0.33265
C       1.20618    3.52987    5.62265
C      -2.07020   -0.40383   -0.33266
C      -1.83951   -2.77915   -4.62406
C       2.70352    1.15455   -0.66593
C       1.83951    2.77915    4.62406
C      -2.70352   -1.15455    0.66593
C      -1.87342   -4.60356   -6.24251
C       2.73744   -0.66985    0.95252
C       1.87342    4.60356    6.24251
C      -2.73744    0.66985   -0.95252
C      -3.18787   -4.90098   -5.84601
C       4.05189   -0.96728    0.55602
C       3.18787    4.90098    5.84601
C      -4.05189    0.96728   -0.55602
C      -3.15353   -3.08800   -4.22007
C       4.01755    0.84570   -1.06992
C       3.15353    3.08800    4.22007
C      -4.01755   -0.84570    1.06992
C      -3.82325   -4.15239   -4.84696
C       4.68726   -0.21869   -0.44303
C       3.82325    4.15239    4.84696
C      -4.68726    0.21869    0.44303
H       1.47915   -6.66385   -5.78893
H      -0.61513   -2.73015    0.49894
H      -1.47915    6.66385    5.78893
H       0.61513    2.73015   -0.49894
H       0.31252   -3.93331   -7.86506
H       0.55150    0.00040    2.57506
H      -0.31252    3.93331    7.86506
H      -0.55150   -0.00040   -2.57506
H      -0.03796   -5.11223   -9.14687
H       0.90197   -1.17852    3.85687
H       0.03796    5.11223    9.14687
H      -0.90197    1.17852   -3.85688
H      -1.19274   -3.80892   -8.80022
H       2.05676    0.12479    3.51022
H       1.19274    3.80892    8.80022
H      -2.05676   -0.12479   -3.51022
H      -1.86810   -6.24372   -7.61609
H       2.73212   -2.31001    2.32610
H       1.86810    6.24372    7.61609
H      -2.73212    2.31001   -2.32610
H      -7.13911   -1.01184   -3.05646
H       8.00313    2.92186   -2.23354
H       7.13911    1.01184    3.05646
H      -8.00313   -2.92186    2.23354
H      -6.57724   -2.56257   -2.42067
H       7.44125    1.37113   -2.86933
H       6.57724    2.56257    2.42067
H      -7.44125   -1.37113    2.86933
H      -5.94431   -1.04697   -1.74468
H       6.80832    2.88673   -3.54531
H       5.94431    1.04697    1.74468
H      -6.80832   -2.88673    3.54531
H      -4.02573   -0.11196   -4.91313
H       4.88975    3.82174   -0.37686
H       4.02573    0.11196    4.91313
H      -4.88975   -3.82174    0.37686
H      -5.69460    0.37402   -4.55969
H       6.55861    4.30772   -0.73030
H       5.69460   -0.37402    4.55969
H      -6.55861   -4.30772    0.73030
H      -4.45548    0.48279   -3.29787
H       5.31950    4.41649   -1.99213
H       4.45548   -0.48279    3.29787
H      -5.31950   -4.41649    1.99213
H      -4.86065   -0.93631   -4.56740
H       5.72467    2.99739   -0.72259
H       4.86065    0.93631    4.56740
H      -5.72467   -2.99739    0.72259
H      -4.69377   -2.80547   -2.75820
H       5.55779    1.12823   -2.53180
H       4.69377    2.80547    2.75820
H      -5.55779   -1.12823    2.53180
H      -3.13941   -2.07165   -2.35000
H       4.00342    1.86205   -2.94000
H       3.13941    2.07165    2.35000
H      -4.00342   -1.86205    2.94000
H      -0.22678   -3.27702   -5.90794
H       1.09080    0.65669    0.61795
H       0.22678    3.27702    5.90794
H      -1.09080   -0.65669   -0.61795
H      -1.32776   -1.97846   -4.17576
H       2.19178    1.95524   -1.11423
H       1.32776    1.97846    4.17576
H      -2.19178   -1.95524    1.11423
H      -3.71084   -5.69253   -6.30203
H       4.57485   -1.75882    1.01204
H       3.71084    5.69253    6.30203
H      -4.57485    1.75882   -1.01204
H      -4.80771   -4.38970   -4.57076
H       5.67173   -0.45600   -0.71923
H       4.80771    4.38970    4.57076
H      -5.67173    0.45600    0.71923
O      -0.58788   -7.64266   -6.69324
O       1.45189   -3.70895    1.40325
O       0.58788    7.64266    6.69324
O      -1.45189    3.70895   -1.40325
O       0.88936   -6.04988   -6.18833
O      -0.02534   -2.11618    0.89834
O      -0.88936    6.04988    6.18833
O       0.02534    2.11618   -0.89834
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.46770   -6.67820   -6.58205
C      -5.60368   -2.74449    1.29205
C      -6.46770    6.67820    6.58205
C       5.60368    2.74449   -1.29205
C       6.26859   -4.72879   -8.20327
C      -5.40457   -0.79508    2.91327
C      -6.26859    4.72879    8.20327
C       5.40457    0.79508   -2.91327
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.47331   -1.76823   -2.50586
C       0.39071    2.16547   -2.78414
C      -0.47331    1.76823    2.50586
C      -0.39071   -2.16547    2.78414
C       1.94306   -0.32344   -3.99497
C      -1.07904    3.61026   -1.29503
C      -1.94306    0.32344    3.99497
C       1.07904   -3.61026    1.29503
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.22657   -6.88861   -5.63884
H      -7.36255   -2.95491    0.34884
H      -8.22657    6.88861    5.63884
H       7.36255    2.95491   -0.34884
H       7.05994   -4.15807   -7.71497
H      -6.19592   -0.22436    2.42497
H      -7.05994    4.15807    7.71497
H       6.19592    0.22436   -2.42497
H       6.70947   -5.33698   -8.99678
H      -5.84545   -1.40327    3.70678
H      -6.70947    5.33698    8.99678
H       5.84545    1.40327   -3.70678
H       5.55468   -4.03367   -8.65012
H      -4.69067   -0.09996    3.36013
H      -5.55468    4.03367    8.65013
H       4.69067    0.09996   -3.36013
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.39169   -1.23660   -2.90637
H       1.25571    2.69710   -2.38363
H       0.39169    1.23660    2.90637
H      -1.25571   -2.69710    2.38363
H       0.17019   -2.78732   -2.27057
H       0.69383    1.14637   -3.01942
H      -0.17019    2.78732    2.27057
H      -0.69383   -1.14637    3.01942
H       0.80312   -1.27172   -1.59459
H       0.06090    2.66197   -3.69540
H      -0.80312    1.27172    1.59459
H      -0.06090   -2.66197    3.69540
H       2.72169   -0.33672   -4.76304
H      -1.85767    3.59698   -0.52695
H      -2.72169    0.33672    4.76304
H       1.85767   -3.59698    0.52695
H       1.05283    0.14926   -4.40960
H      -0.18881    4.08296   -0.88039
H      -1.05283   -0.14926    4.40960
H       0.18881   -4.08296    0.88039
H       2.29194    0.25803   -3.14777
H      -1.42793    4.19173   -2.14222
H      -2.29194   -0.25803    3.14777
H       1.42793   -4.19173    2.14222
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.15954   -7.86741   -6.54315
O      -5.29553   -3.93371    1.25316
O      -6.15954    7.86741    6.54315
O       5.29553    3.93371   -1.25316
O       7.63678   -6.27464   -6.03824
O      -6.77276   -2.34093    0.74824
O      -7.63678    6.27464    6.03824
O       6.77276    2.34093   -0.74824
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.46770   -6.67820   -6.58205
C      -5.60368   -2.74449    1.29205
C      -6.46770    6.67820    6.58205
C       5.60368    2.74449   -1.29205
C       6.26859   -4.72879   -8.20327
C      -5.40457   -0.79508    2.91327
C      -6.26859    4.72879    8.20327
C       5.40457    0.79508   -2.91327
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.75338   -1.17996   -2.41317
C       0.11064    2.75373   -2.87683
C      -0.75338    1.17996    2.41317
C      -0.11064   -2.75373    2.87683
C       1.99986   -0.66248   -4.56806
C      -1.13584    3.27122   -0.72193
C      -1.99986    0.66248    4.56806
C       1.13584   -3.27122    0.72193
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.22657   -6.88861   -5.63884
H      -7.36255   -2.95491    0.34884
H      -8.22657    6.88861    5.63884
H       7.36255    2.95491   -0.34884
H       7.05994   -4.15807   -7.71497
H      -6.19592   -0.22436    2.42497
H      -7.05994    4.15807    7.71497
H       6.19592    0.22436   -2.42497
H       6.70947   -5.33698   -8.99678
H      -5.84545   -1.40327    3.70678
H      -6.70947    5.33698    8.99678
H       5.84545    1.40327   -3.70678
H       5.55468   -4.03367   -8.65012
H      -4.69067   -0.09996    3.36013
H      -5.55468    4.03367    8.65013
H       4.69067    0.09996   -3.36013
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.11291   -0.66663   -2.83423
H       0.97693    3.26707   -2.45577
H       0.11291    0.66663    2.83423
H      -0.97693   -3.26707    2.45577
H       0.39644   -1.97264   -1.75738
H       0.46757    1.96106   -3.53261
H      -0.39644    1.97264    1.75738
H      -0.46757   -1.96106    3.53261
H       1.33834   -0.46870   -1.83212
H      -0.47433    3.46500   -3.45788
H      -1.33834    0.46870    1.83212
H       0.47433   -3.46500    3.45788
H       2.57490   -1.09450   -5.39211
H      -1.71088    2.83920    0.10212
H      -2.57490    1.09450    5.39211
H       1.71088   -2.83920   -0.10212
H       1.09912   -0.20324   -4.97507
H      -0.23510    3.73046   -0.31492
H      -1.09912    0.20324    4.97507
H       0.23510   -3.73046    0.31492
H       2.59840    0.10046   -4.08100
H      -1.73439    4.03416   -1.20899
H      -2.59840   -0.10046    4.08100
H       1.73439   -4.03416    1.20899
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.15954   -7.86741   -6.54315
O      -5.29553   -3.93371    1.25316
O      -6.15954    7.86741    6.54315
O       5.29553    3.93371   -1.25316
O       7.63678   -6.27464   -6.03824
O      -6.77276   -2.34093    0.74824
O      -7.63678    6.27464    6.03824
O       6.77276    2.34093   -0.74824
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.75338   -1.17996   -2.41317
C       0.11064    2.75373   -2.87683
C      -0.75338    1.17996    2.41317
C      -0.11064   -2.75373    2.87683
C       1.99986   -0.66248   -4.56806
C      -1.13584    3.27122   -0.72193
C      -1.99986    0.66248    4.56806
C       1.13584   -3.27122    0.72193
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.51288   -6.37409   -5.84899
H      -7.64886   -2.44038    0.55900
H      -8.51288    6.37409    5.84899
H       7.64886    2.44038   -0.55900
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.11291   -0.66663   -2.83423
H       0.97693    3.26707   -2.45577
H       0.11291    0.66663    2.83423
H      -0.97693   -3.26707    2.45577
H       0.39644   -1.97264   -1.75738
H       0.46757    1.96106   -3.53261
H      -0.39644    1.97264    1.75738
H      -0.46757   -1.96106    3.53261
H       1.33834   -0.46870   -1.83212
H      -0.47433    3.46500   -3.45788
H      -1.33834    0.46870    1.83212
H       0.47433   -3.46500    3.45788
H       2.57490   -1.09450   -5.39211
H      -1.71088    2.83920    0.10212
H      -2.57490    1.09450    5.39211
H       1.71088   -2.83920   -0.10212
H       1.09912   -0.20324   -4.97507
H      -0.23510    3.73046   -0.31492
H      -1.09912    0.20324    4.97507
H       0.23510   -3.73046    0.31492
H       2.59840    0.10046   -4.08100
H      -1.73439    4.03416   -1.20899
H      -2.59840   -0.10046    4.08100
H       1.73439   -4.03416    1.20899
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.52763   -7.69761   -6.44525
O      -5.66361   -3.76390    1.15526
O      -6.52763    7.69761    6.44525
O       5.66361    3.76390   -1.15526
O       7.80602   -5.88306   -6.22791
O      -6.94201   -1.94936    0.93792
O      -7.80602    5.88306    6.22791
O       6.94201    1.94936   -0.93792
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.72657   -1.22693   -2.41005
C       0.13745    2.70676   -2.87994
C      -0.72657    1.22693    2.41005
C      -0.13745   -2.70676    2.87994
C       2.00173   -0.62668   -4.52635
C      -1.13771    3.30702   -0.76364
C      -2.00173    0.62668    4.52635
C       1.13771   -3.30702    0.76364
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.51288   -6.37409   -5.84899
H      -7.64886   -2.44038    0.55900
H      -8.51288    6.37409    5.84899
H       7.64886    2.44038   -0.55900
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.13935   -0.71185   -2.82973
H       1.00337    3.22185   -2.46026
H       0.13935    0.71185    2.82973
H      -1.00337   -3.22185    2.46026
H       0.36934   -2.04416   -1.78529
H       0.49467    1.88953   -3.50471
H      -0.36934    2.04416    1.78529
H      -0.49467   -1.88953    3.50471
H       1.29227   -0.52671   -1.79739
H      -0.42825    3.40699   -3.49260
H      -1.29227    0.52671    1.79739
H       0.42825   -3.40699    3.49260
H       2.59610   -1.02543   -5.35346
H      -1.73208    2.90827    0.06346
H      -2.59610    1.02543    5.35346
H       1.73208   -2.90827   -0.06346
H       1.10186   -0.16653   -4.93425
H      -0.23784    3.76718   -0.35575
H      -1.10186    0.16653    4.93425
H       0.23784   -3.76718    0.35575
H       2.58189    0.12831   -4.00579
H      -1.71787    4.06201   -1.28420
H      -2.58189   -0.12831    4.00579
H       1.71787   -4.06201    1.28420
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.52763   -7.69761   -6.44525
O      -5.66361   -3.76390    1.15526
O      -6.52763    7.69761    6.44525
O       5.66361    3.76390   -1.15526
O       7.80602   -5.88306   -6.22791
O      -6.94201   -1.94936    0.93792
O      -7.80602    5.88306    6.22791
O       6.94201    1.94936   -0.93792
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.72657   -1.22693   -2.41005
C       0.13745    2.70676   -2.87994
C      -0.72657    1.22693    2.41005
C      -0.13745   -2.70676    2.87994
C       2.00173   -0.62668   -4.52635
C      -1.13771    3.30702   -0.76364
C      -2.00173    0.62668    4.52635
C       1.13771   -3.30702    0.76364
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       7.17904   -8.37832   -6.18701
H      -6.31503   -4.44461    0.89701
H      -7.17904    8.37832    6.18701
H       6.31503    4.44461   -0.89701
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.13935   -0.71185   -2.82973
H       1.00337    3.22185   -2.46026
H       0.13935    0.71185    2.82973
H      -1.00337   -3.22185    2.46026
H       0.36934   -2.04416   -1.78529
H       0.49467    1.88953   -3.50471
H      -0.36934    2.04416    1.78529
H      -0.49467   -1.88953    3.50471
H       1.29227   -0.52671   -1.79739
H      -0.42825    3.40699   -3.49260
H      -1.29227    0.52671    1.79739
H       0.42825   -3.40699    3.49260
H       2.59610   -1.02543   -5.35346
H      -1.73208    2.90827    0.06346
H      -2.59610    1.02543    5.35346
H       1.73208   -2.90827   -0.06346
H       1.10186   -0.16653   -4.93425
H      -0.23784    3.76718   -0.35575
H      -1.10186    0.16653    4.93425
H       0.23784   -3.76718    0.35575
H       2.58189    0.12831   -4.00579
H      -1.71787    4.06201   -1.28420
H      -2.58189   -0.12831    4.00579
H       1.71787   -4.06201    1.28420
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       7.72181   -5.98059   -6.25567
O      -6.85780   -2.04688    0.96567
O      -7.72181    5.98059    6.25567
O       6.85780    2.04688   -0.96567
O       6.49677   -7.82505   -6.52275
O      -5.63275   -3.89134    1.23275
O      -6.49677    7.82505    6.52275
O       5.63275    3.89134   -1.23275
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.72657   -1.22693   -2.41005
C       0.13745    2.70676   -2.87994
C      -0.72657    1.22693    2.41005
C      -0.13745   -2.70676    2.87994
C       2.00173   -0.62668   -4.52635
C      -1.13771    3.30702   -0.76364
C      -2.00173    0.62668    4.52635
C       1.13771   -3.30702    0.76364
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.50031   -6.37059   -5.81959
H      -7.63629   -2.43688    0.52960
H      -8.50031    6.37059    5.81959
H       7.63629    2.43688   -0.52960
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.13935   -0.71185   -2.82973
H       1.00337    3.22185   -2.46026
H       0.13935    0.71185    2.82973
H      -1.00337   -3.22185    2.46026
H       0.36934   -2.04416   -1.78529
H       0.49467    1.88953   -3.50471
H      -0.36934    2.04416    1.78529
H      -0.49467   -1.88953    3.50471
H       1.29227   -0.52671   -1.79739
H      -0.42825    3.40699   -3.49260
H      -1.29227    0.52671    1.79739
H       0.42825   -3.40699    3.49260
H       2.59610   -1.02543   -5.35346
H      -1.73208    2.90827    0.06346
H      -2.59610    1.02543    5.35346
H       1.73208   -2.90827   -0.06346
H       1.10186   -0.16653   -4.93425
H      -0.23784    3.76718   -0.35575
H      -1.10186    0.16653    4.93425
H       0.23784   -3.76718    0.35575
H       2.58189    0.12831   -4.00579
H      -1.71787    4.06201   -1.28420
H      -2.58189   -0.12831    4.00579
H       1.71787   -4.06201    1.28420
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.53762   -7.70180   -6.47084
O      -5.67360   -3.76810    1.18085
O      -6.53762    7.70180    6.47084
O       5.67360    3.76810   -1.18085
O       7.79408   -5.87927   -6.19930
O      -6.93007   -1.94557    0.90931
O      -7.79408    5.87927    6.19930
O       6.93007    1.94557   -0.90931
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.72657   -1.22693   -2.41005
C       0.13745    2.70676   -2.87994
C      -0.72657    1.22693    2.41005
C      -0.13745   -2.70676    2.87994
C       2.00173   -0.62668   -4.52635
C      -1.13771    3.30702   -0.76364
C      -2.00173    0.62668    4.52635
C       1.13771   -3.30702    0.76364
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.45118   -6.36389   -5.71452
H      -7.58716   -2.43018    0.42453
H      -8.45118    6.36389    5.71452
H       7.58716    2.43018   -0.42453
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.13935   -0.71185   -2.82973
H       1.00337    3.22185   -2.46026
H       0.13935    0.71185    2.82973
H      -1.00337   -3.22185    2.46026
H       0.36934   -2.04416   -1.78529
H       0.49467    1.88953   -3.50471
H      -0.36934    2.04416    1.78529
H      -0.49467   -1.88953    3.50471
H       1.29227   -0.52671   -1.79739
H      -0.42825    3.40699   -3.49260
H      -1.29227    0.52671    1.79739
H       0.42825   -3.40699    3.49260
H       2.59610   -1.02543   -5.35346
H      -1.73208    2.90827    0.06346
H      -2.59610    1.02543    5.35346
H       1.73208   -2.90827   -0.06346
H       1.10186   -0.16653   -4.93425
H      -0.23784    3.76718   -0.35575
H      -1.10186    0.16653    4.93425
H       0.23784   -3.76718    0.35575
H       2.58189    0.12831   -4.00579
H      -1.71787    4.06201   -1.28420
H      -2.58189   -0.12831    4.00579
H       1.71787   -4.06201    1.28420
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.57716   -7.71200   -6.56250
O      -5.71314   -3.77830    1.27250
O      -6.57716    7.71200    6.56250
O       5.71314    3.77830   -1.27250
O       7.74730   -5.87132   -6.09696
O      -6.88328   -1.93762    0.80696
O      -7.74730    5.87132    6.09696
O       6.88328    1.93762   -0.80696
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.61721   -1.43526   -2.41877
C       0.24680    2.49844   -2.87122
C      -0.61721    1.43526    2.41877
C      -0.24680   -2.49844    2.87122
C       1.99634   -0.48660   -4.33270
C      -1.13232    3.44710   -0.95729
C      -1.99634    0.48660    4.33270
C       1.13232   -3.44710    0.95729
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       8.45118   -6.36389   -5.71452
H      -7.58716   -2.43018    0.42453
H      -8.45118    6.36389    5.71452
H       7.58716    2.43018   -0.42453
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.24762   -0.91301   -2.83177
H       1.11164    3.02068   -2.45823
H       0.24762    0.91301    2.83177
H      -1.11164   -3.02068    2.45823
H       0.26854   -2.34749   -1.93705
H       0.59548    1.58620   -3.35295
H      -0.26854    2.34749    1.93705
H      -0.59548   -1.58620    3.35295
H       1.09511   -0.79706   -1.67715
H      -0.23110    3.13663   -3.61285
H      -1.09511    0.79706    1.67715
H       0.23110   -3.13663    3.61285
H       2.66985   -0.73744   -5.15723
H      -1.80583    3.19626   -0.13276
H      -2.66985    0.73744    5.15723
H       1.80583   -3.19626    0.13276
H       1.10026   -0.02205   -4.74394
H      -0.23624    3.91165   -0.54606
H      -1.10026    0.02205    4.74394
H       0.23624   -3.91165    0.54606
H       2.49164    0.21910   -3.67373
H      -1.62762    4.15280   -1.61627
H      -2.49164   -0.21910    3.67373
H       1.62762   -4.15280    1.61627
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       6.57716   -7.71200   -6.56250
O      -5.71314   -3.77830    1.27250
O      -6.57716    7.71200    6.56250
O       5.71314    3.77830   -1.27250
O       7.74730   -5.87132   -6.09696
O      -6.88328   -1.93762    0.80696
O      -7.74730    5.87132    6.09696
O       6.88328    1.93762   -0.80696
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.65878   -6.48650   -6.60874
C      -5.79476   -2.55280    1.31875
C      -6.65878    6.48650    6.60874
C       5.79476    2.55280   -1.31875
C       6.02880   -4.73691   -8.34375
C      -5.16478   -0.80320    3.05375
C      -6.02880    4.73691    8.34375
C       5.16478    0.80320   -3.05375
C       5.54160   -5.64592   -7.18455
C      -4.67759   -1.71221    1.89455
C      -5.54160    5.64592    7.18455
C       4.67759    1.71221   -1.89455
C       0.61721   -1.43526   -2.41877
C       0.24680    2.49844   -2.87122
C      -0.61721    1.43526    2.41877
C      -0.24680   -2.49844    2.87122
C       1.99634   -0.48660   -4.33270
C      -1.13232    3.44710   -0.95729
C      -1.99634    0.48660    4.33270
C       1.13232   -3.44710    0.95729
C       1.61515   -1.77827   -3.55646
C      -0.75113    2.15543   -1.73354
C      -1.61515    1.77827    3.55646
C       0.75113   -2.15543    1.73354
C       2.89894   -2.47450   -3.01728
C      -2.03492    1.45919   -2.27272
C      -2.89894    2.47450    3.01728
C       2.03492   -1.45919    2.27272
C       5.54124   -3.75462   -5.47256
C      -4.67722    0.17908    0.18256
C      -5.54124    3.75462    5.47256
C       4.67722   -0.17908   -0.18256
C       4.90792   -3.00390   -4.47397
C      -4.04390    0.92980   -0.81603
C      -4.90792    3.00390    4.47397
C       4.04390   -0.92980    0.81603
C       4.87400   -4.82831   -6.09242
C      -4.00999   -0.89461    0.80242
C      -4.87400    4.82831    6.09242
C       4.00999    0.89461   -0.80242
C       3.55955   -5.12574   -5.69592
C      -2.69554   -1.19203    0.40592
C      -3.55955    5.12574    5.69592
C       2.69554    1.19203   -0.40593
C       3.59389   -3.31275   -4.06998
C      -2.72987    0.62095   -1.22001
C      -3.59389    3.31275    4.06998
C       2.72987   -0.62095    1.22001
C       2.92418   -4.37714   -4.69687
C      -2.06016   -0.44344   -0.59312
C      -2.92418    4.37714    4.69687
C       2.06016    0.44344    0.59312
H       7.22460   -8.38438   -6.28439
H      -6.36059   -4.45068    0.99440
H      -7.22460    8.38438    6.28439
H       6.36059    4.45068   -0.99440
H       6.77484   -4.02383   -7.98972
H      -5.91082   -0.09012    2.69973
H      -6.77484    4.02383    7.98972
H       5.91082    0.09012   -2.69972
H       6.47235   -5.35080   -9.13137
H      -5.60833   -1.41709    3.84137
H      -6.47235    5.35080    9.13137
H       5.60833    1.41709   -3.84137
H       5.18356   -4.18665   -8.76245
H      -4.31955   -0.25293    3.47246
H      -5.18356    4.18665    8.76245
H       4.31955    0.25293   -3.47246
H       4.87932   -6.46847   -7.46600
H      -4.01531   -2.53476    2.17600
H      -4.87932    6.46847    7.46600
H       4.01531    2.53476   -2.17601
H      -0.24762   -0.91301   -2.83177
H       1.11164    3.02068   -2.45823
H       0.24762    0.91301    2.83177
H      -1.11164   -3.02068    2.45823
H       0.26854   -2.34749   -1.93705
H       0.59548    1.58620   -3.35295
H      -0.26854    2.34749    1.93705
H      -0.59548   -1.58620    3.35295
H       1.09511   -0.79706   -1.67715
H      -0.23110    3.13663   -3.61285
H      -1.09511    0.79706    1.67715
H       0.23110   -3.13663    3.61285
H       2.66985   -0.73744   -5.15723
H      -1.80583    3.19626   -0.13276
H      -2.66985    0.73744    5.15723
H       1.80583   -3.19626    0.13276
H       1.10026   -0.02205   -4.74394
H      -0.23624    3.91165   -0.54606
H      -1.10026    0.02205    4.74394
H       0.23624   -3.91165    0.54606
H       2.49164    0.21910   -3.67373
H      -1.62762    4.15280   -1.61627
H      -2.49164   -0.21910    3.67373
H       1.62762   -4.15280    1.61627
H       1.88677   -1.16106   -4.41731
H      -1.02275    2.77264   -0.87268
H      -1.88677    1.16106    4.41731
H       1.02275   -2.77264    0.87268
H       2.05365   -3.03022   -2.60810
H      -1.18963    0.90348   -2.68189
H      -2.05365    3.03022    2.60810
H       1.18963   -0.90348    2.68189
H       3.60802   -2.29640   -2.19990
H      -2.74400    1.63729   -3.09009
H      -3.60802    2.29640    2.19990
H       2.74400   -1.63729    3.09009
H       6.52064   -3.50177   -5.75785
H      -5.65662    0.43193    0.46785
H      -6.52064    3.50177    5.75785
H       5.65662   -0.43193   -0.46785
H       5.41966   -2.20321   -4.02567
H      -4.55564    1.73049   -1.26432
H      -5.41966    2.20321    4.02567
H       4.55564   -1.73049    1.26432
H       3.03658   -5.91728   -6.15194
H      -2.17257   -1.98357    0.86194
H      -3.03658    5.91728    6.15194
H       2.17257    1.98357   -0.86194
H       1.93971   -4.61445   -4.42067
H      -1.07569   -0.68075   -0.86932
H      -1.93971    4.61445    4.42067
H       1.07569    0.68075    0.86932
O       7.68505   -5.97119   -6.17076
O      -6.82103   -2.03749    0.88076
O      -7.68505    5.97119    6.17076
O       6.82103    2.03749   -0.88076
O       6.54016   -7.83227   -6.61761
O      -5.67614   -3.89856    1.32761
O      -6.54016    7.83227    6.61761
O       5.67614    3.89856   -1.32761
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.83851   -6.31381   -6.59139
C      -5.97449   -2.38010    1.30139
C      -6.83851    6.31381    6.59138
C       5.97449    2.38010   -1.30139
C       6.07957   -4.63549   -8.34508
C      -5.21555   -0.70178    3.05509
C      -6.07957    4.63549    8.34508
C       5.21555    0.70178   -3.05509
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.50294   -1.61909   -2.42104
C       0.36108    2.31460   -2.86895
C      -0.50294    1.61909    2.42104
C      -0.36108   -2.31460    2.86895
C       1.80095   -0.60775   -4.35946
C      -0.93693    3.32595   -0.93054
C      -1.80095    0.60775    4.35946
C       0.93693   -3.32595    0.93054
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.53286   -8.16464   -6.24557
H      -6.66884   -4.23094    0.95558
H      -7.53286    8.16464    6.24557
H       6.66884    4.23094   -0.95558
H       6.77868   -3.86900   -8.00725
H      -5.91466    0.06471    2.71725
H      -6.77868    3.86900    8.00725
H       5.91466   -0.06471   -2.71725
H       6.55743   -5.22953   -9.12783
H      -5.69341   -1.29582    3.83784
H      -6.55743    5.22953    9.12783
H       5.69341    1.29582   -3.83784
H       5.19620   -4.14918   -8.76423
H      -4.33218   -0.21547    3.47424
H      -5.19620    4.14918    8.76423
H       4.33218    0.21547   -3.47424
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.39806   -1.16197   -2.83393
H       1.26208    2.77173   -2.45606
H       0.39806    1.16197    2.83393
H      -1.26208   -2.77173    2.45606
H       0.21990   -2.54562   -1.92382
H       0.64412    1.38807   -3.36618
H      -0.21990    2.54562    1.92382
H      -0.64412   -1.38807    3.36618
H       0.94244   -0.93971   -1.69237
H      -0.07843    2.99398   -3.59763
H      -0.94244    0.93971    1.69237
H       0.07843   -2.99398    3.59763
H       2.48360   -0.82472   -5.18607
H      -1.61958    3.10899   -0.10392
H      -2.48360    0.82472    5.18607
H       1.61958   -3.10899    0.10392
H       0.87266   -0.21026   -4.76953
H      -0.00864    3.72344   -0.52047
H      -0.87266    0.21026    4.76953
H       0.00864   -3.72344    0.52047
H       2.25266    0.13896   -3.71450
H      -1.38864    4.07266   -1.57549
H      -2.25266   -0.13896    3.71450
H       1.38864   -4.07266    1.57549
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.83111   -5.72463   -6.16923
O      -6.96710   -1.79093    0.87923
O      -7.83111    5.72463    6.16923
O       6.96710    1.79093   -0.87923
O       6.81043   -7.66448   -6.58062
O      -5.94641   -3.73078    1.29063
O      -6.81043    7.66448    6.58062
O       5.94641    3.73078   -1.29063
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.78166   -6.38541   -6.57682
C      -5.91764   -2.45170    1.28683
C      -6.78166    6.38541    6.57683
C       5.91764    2.45170   -1.28683
C       6.16211   -4.62149   -8.30104
C      -5.29809   -0.68778    3.01105
C      -6.16211    4.62149    8.30104
C       5.29809    0.68778   -3.01105
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.50294   -1.61909   -2.42104
C       0.36108    2.31460   -2.86895
C      -0.50294    1.61909    2.42104
C      -0.36108   -2.31460    2.86895
C       1.80095   -0.60775   -4.35946
C      -0.93693    3.32595   -0.93054
C      -1.80095    0.60775    4.35946
C       0.93693   -3.32595    0.93054
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.37740   -8.27647   -6.26658
H      -6.51339   -4.34277    0.97659
H      -7.37740    8.27647    6.26658
H       6.51339    4.34277   -0.97659
H       6.88380   -3.89931   -7.91631
H      -6.01978    0.03440    2.62631
H      -6.88380    3.89931    7.91631
H       6.01978   -0.03440   -2.62631
H       6.63877   -5.21380   -9.08584
H      -5.77476   -1.28009    3.79584
H      -6.63877    5.21380    9.08584
H       5.77476    1.28009   -3.79584
H       5.31716   -4.08169   -8.73372
H      -4.45314   -0.14798    3.44372
H      -5.31716    4.08169    8.73372
H       4.45314    0.14798   -3.44372
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.39806   -1.16197   -2.83393
H       1.26208    2.77173   -2.45606
H       0.39806    1.16197    2.83393
H      -1.26208   -2.77173    2.45606
H       0.21990   -2.54562   -1.92382
H       0.64412    1.38807   -3.36618
H      -0.21990    2.54562    1.92382
H      -0.64412   -1.38807    3.36618
H       0.94244   -0.93971   -1.69237
H      -0.07843    2.99398   -3.59763
H      -0.94244    0.93971    1.69237
H       0.07843   -2.99398    3.59763
H       2.48360   -0.82472   -5.18607
H      -1.61958    3.10899   -0.10392
H      -2.48360    0.82472    5.18607
H       1.61958   -3.10899    0.10392
H       0.87266   -0.21026   -4.76953
H      -0.00864    3.72344   -0.52047
H      -0.87266    0.21026    4.76953
H       0.00864   -3.72344    0.52047
H       2.25266    0.13896   -3.71450
H      -1.38864    4.07266   -1.57549
H      -2.25266   -0.13896    3.71450
H       1.38864   -4.07266    1.57549
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.78525   -5.85665   -6.10371
O      -6.92123   -1.92294    0.81372
O      -7.78525    5.85665    6.10371
O       6.92123    1.92294   -0.81372
O       6.69086   -7.73297   -6.60948
O      -5.82684   -3.79926    1.31948
O      -6.69086    7.73297    6.60948
O       5.82684    3.79926   -1.31948
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.76866   -6.40081   -6.57418
C      -5.90465   -2.46710    1.28419
C      -6.76866    6.40081    6.57418
C       5.90465    2.46710   -1.28419
C       6.18008   -4.61911   -8.29096
C      -5.31607   -0.68540    3.00096
C      -6.18008    4.61911    8.29096
C       5.31607    0.68540   -3.00096
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.50294   -1.61909   -2.42104
C       0.36108    2.31460   -2.86895
C      -0.50294    1.61909    2.42104
C      -0.36108   -2.31460    2.86895
C       1.80095   -0.60775   -4.35946
C      -0.93693    3.32595   -0.93054
C      -1.80095    0.60775    4.35946
C       0.93693   -3.32595    0.93054
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.34270   -8.29994   -6.27235
H      -6.47868   -4.36623    0.98236
H      -7.34270    8.29994    6.27235
H       6.47868    4.36623   -0.98236
H       6.90623   -3.90699   -7.89602
H      -6.04221    0.02672    2.60602
H      -6.90623    3.90699    7.89602
H       6.04221   -0.02672   -2.60602
H       6.65651   -5.21103   -9.07619
H      -5.79249   -1.27732    3.78620
H      -6.65651    5.21103    9.07620
H       5.79249    1.27732   -3.78620
H       5.34395   -4.06778   -8.72620
H      -4.47993   -0.13407    3.43621
H      -5.34395    4.06778    8.72620
H       4.47993    0.13407   -3.43621
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.39806   -1.16197   -2.83393
H       1.26208    2.77173   -2.45606
H       0.39806    1.16197    2.83393
H      -1.26208   -2.77173    2.45606
H       0.21990   -2.54562   -1.92382
H       0.64412    1.38807   -3.36618
H      -0.21990    2.54562    1.92382
H      -0.64412   -1.38807    3.36618
H       0.94244   -0.93971   -1.69237
H      -0.07843    2.99398   -3.59763
H      -0.94244    0.93971    1.69237
H       0.07843   -2.99398    3.59763
H       2.48360   -0.82472   -5.18607
H      -1.61958    3.10899   -0.10392
H      -2.48360    0.82472    5.18607
H       1.61958   -3.10899    0.10392
H       0.87266   -0.21026   -4.76953
H      -0.00864    3.72344   -0.52047
H      -0.87266    0.21026    4.76953
H       0.00864   -3.72344    0.52047
H       2.25266    0.13896   -3.71450
H      -1.38864    4.07266   -1.57549
H      -2.25266   -0.13896    3.71450
H       1.38864   -4.07266    1.57549
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.77405   -5.88558   -6.09010
O      -6.91003   -1.95187    0.80010
O      -7.77405    5.88558    6.09010
O       6.91003    1.95187   -0.80010
O       6.66433   -7.74711   -6.61663
O      -5.80031   -3.81341    1.32663
O      -6.66433    7.74711    6.61663
O       5.80031    3.81341   -1.32663
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.69651   -6.48093   -6.56349
C      -5.83249   -2.54723    1.27349
C      -6.69651    6.48093    6.56349
C       5.83249    2.54723   -1.27349
C       6.27508   -4.61073   -8.23468
C      -5.41106   -0.67702    2.94469
C      -6.27508    4.61073    8.23468
C       5.41106    0.67702   -2.94469
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.50294   -1.61909   -2.42104
C       0.36108    2.31460   -2.86895
C      -0.50294    1.61909    2.42104
C      -0.36108   -2.31460    2.86895
C       1.80095   -0.60775   -4.35946
C      -0.93693    3.32595   -0.93054
C      -1.80095    0.60775    4.35946
C       0.93693   -3.32595    0.93054
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.15451   -8.41829   -6.31011
H      -6.29049   -4.48459    1.02012
H      -7.15451    8.41829    6.31011
H       6.29049    4.48459   -1.02012
H       7.02197   -3.95409   -7.78595
H      -6.15795   -0.02038    2.49596
H      -7.02196    3.95409    7.78595
H       6.15795    0.02038   -2.49596
H       6.75033   -5.20045   -9.02228
H      -5.88631   -1.26674    3.73229
H      -6.75033    5.20045    9.02228
H       5.88631    1.26674   -3.73229
H       5.48826   -3.99912   -8.68121
H      -4.62425   -0.06541    3.39122
H      -5.48826    3.99912    8.68121
H       4.62425    0.06541   -3.39122
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.39806   -1.16197   -2.83393
H       1.26208    2.77173   -2.45606
H       0.39806    1.16197    2.83393
H      -1.26208   -2.77173    2.45606
H       0.21990   -2.54562   -1.92382
H       0.64412    1.38807   -3.36618
H      -0.21990    2.54562    1.92382
H      -0.64412   -1.38807    3.36618
H       0.94244   -0.93971   -1.69237
H      -0.07843    2.99398   -3.59763
H      -0.94244    0.93971    1.69237
H       0.07843   -2.99398    3.59763
H       2.48360   -0.82472   -5.18607
H      -1.61958    3.10899   -0.10392
H      -2.48360    0.82472    5.18607
H       1.61958   -3.10899    0.10392
H       0.87266   -0.21026   -4.76953
H      -0.00864    3.72344   -0.52047
H      -0.87266    0.21026    4.76953
H       0.00864   -3.72344    0.52047
H       2.25266    0.13896   -3.71450
H      -1.38864    4.07266   -1.57549
H      -2.25266   -0.13896    3.71450
H       1.38864   -4.07266    1.57549
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.70776   -6.03933   -6.02223
O      -6.84375   -2.10563    0.73224
O      -7.70776    6.03933    6.02223
O       6.84375    2.10563   -0.73224
O       6.52149   -7.81710   -6.65966
O      -5.65747   -3.88340    1.36966
O      -6.52149    7.81710    6.65966
O       5.65747    3.88340   -1.36966
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.69651   -6.48093   -6.56349
C      -5.83249   -2.54723    1.27349
C      -6.69651    6.48093    6.56349
C       5.83249    2.54723   -1.27349
C       6.27508   -4.61073   -8.23468
C      -5.41106   -0.67702    2.94469
C      -6.27508    4.61073    8.23468
C       5.41106    0.67702   -2.94469
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.60655   -1.38609   -2.41735
C       0.25747    2.54761   -2.87264
C      -0.60655    1.38609    2.41735
C      -0.25747   -2.54761    2.87264
C       1.81442   -0.76301   -4.56629
C      -0.95041    3.17069   -0.72371
C      -1.81442    0.76301    4.56629
C       0.95041   -3.17069    0.72371
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.15451   -8.41829   -6.31011
H      -6.29049   -4.48459    1.02012
H      -7.15451    8.41829    6.31011
H       6.29049    4.48459   -1.02012
H       7.02197   -3.95409   -7.78595
H      -6.15795   -0.02038    2.49596
H      -7.02196    3.95409    7.78595
H       6.15795    0.02038   -2.49596
H       6.75033   -5.20045   -9.02228
H      -5.88631   -1.26674    3.73229
H      -6.75033    5.20045    9.02228
H       5.88631    1.26674   -3.73229
H       5.48826   -3.99912   -8.68121
H      -4.62425   -0.06541    3.39122
H      -5.48826    3.99912    8.68121
H       4.62425    0.06541   -3.39122
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.29519   -0.93693   -2.83732
H       1.15921    2.99677   -2.45268
H       0.29519    0.93693    2.83732
H      -1.15921   -2.99677    2.45268
H       0.30916   -2.20741   -1.76712
H       0.55486    1.72629   -3.52288
H      -0.30916    2.20741    1.76712
H      -0.55486   -1.72629    3.52288
H       1.13519   -0.63634   -1.83074
H      -0.27117    3.29735   -3.45925
H      -1.13519    0.63634    1.83074
H       0.27117   -3.29735    3.45925
H       2.42189   -1.14543   -5.39158
H      -1.55787    2.78828    0.10159
H      -2.42189    1.14543    5.39158
H       1.55787   -2.78828   -0.10159
H       0.88238   -0.37046   -4.97260
H      -0.01837    3.56324   -0.31740
H      -0.88238    0.37046    4.97260
H       0.01837   -3.56324    0.31740
H       2.35288    0.03988   -4.07332
H      -1.48886    3.97358   -1.21667
H      -2.35288   -0.03988    4.07332
H       1.48886   -3.97358    1.21667
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.70776   -6.03933   -6.02223
O      -6.84375   -2.10563    0.73224
O      -7.70776    6.03933    6.02223
O       6.84375    2.10563   -0.73224
O       6.52149   -7.81710   -6.65966
O      -5.65747   -3.88340    1.36966
O      -6.52149    7.81710    6.65966
O       5.65747    3.88340   -1.36966
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.69651   -6.48093   -6.56349
C      -5.83249   -2.54723    1.27349
C      -6.69651    6.48093    6.56349
C       5.83249    2.54723   -1.27349
C       6.27508   -4.61073   -8.23468
C      -5.41106   -0.67702    2.94469
C      -6.27508    4.61073    8.23468
C       5.41106    0.67702   -2.94469
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.61880   -1.36082   -2.41955
C       0.24522    2.57287   -2.87045
C      -0.61880    1.36082    2.41955
C      -0.24522   -2.57287    2.87045
C       1.81443   -0.78205   -4.58764
C      -0.95041    3.15165   -0.70235
C      -1.81443    0.78205    4.58764
C       0.95041   -3.15165    0.70235
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.15451   -8.41829   -6.31011
H      -6.29049   -4.48459    1.02012
H      -7.15451    8.41829    6.31011
H       6.29049    4.48459   -1.02012
H       7.02197   -3.95409   -7.78595
H      -6.15795   -0.02038    2.49596
H      -7.02196    3.95409    7.78595
H       6.15795    0.02038   -2.49596
H       6.75033   -5.20045   -9.02228
H      -5.88631   -1.26674    3.73229
H      -6.75033    5.20045    9.02228
H       5.88631    1.26674   -3.73229
H       5.48826   -3.99912   -8.68121
H      -4.62425   -0.06541    3.39122
H      -5.48826    3.99912    8.68121
H       4.62425    0.06541   -3.39122
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.28308   -0.91260   -2.84021
H       1.14709    3.02110   -2.44978
H       0.28308    0.91260    2.84021
H      -1.14709   -3.02110    2.44978
H       0.32087   -2.16909   -1.75340
H       0.54314    1.76461   -3.53659
H      -0.32087    2.16909    1.75340
H      -0.54314   -1.76461    3.53659
H       1.15691   -0.60499   -1.84959
H      -0.29289    3.32870   -3.44040
H      -1.15691    0.60499    1.84959
H       0.29289   -3.32870    3.44040
H       2.41302   -1.18237   -5.41094
H      -1.54900    2.75133    0.12095
H      -2.41302    1.18237    5.41094
H       1.54900   -2.75133   -0.12095
H       0.88198   -0.39000   -4.99348
H      -0.01796    3.54370   -0.29652
H      -0.88198    0.39000    4.99348
H       0.01796   -3.54370    0.29652
H       2.36200    0.02527   -4.11228
H      -1.49798    3.95897   -1.17771
H      -2.36200   -0.02527    4.11228
H       1.49798   -3.95897    1.17771
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.70776   -6.03933   -6.02223
O      -6.84375   -2.10563    0.73224
O      -7.70776    6.03933    6.02223
O       6.84375    2.10563   -0.73224
O       6.52149   -7.81710   -6.65966
O      -5.65747   -3.88340    1.36966
O      -6.52149    7.81710    6.65966
O       5.65747    3.88340   -1.36966
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.69716   -6.48023   -6.56356
C      -5.83314   -2.54652    1.27356
C      -6.69716    6.48023    6.56356
C       5.83314    2.54652   -1.27356
C       6.27421   -4.61077   -8.23520
C      -5.41020   -0.67706    2.94521
C      -6.27421    4.61077    8.23520
C       5.41020    0.67706   -2.94521
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.61880   -1.36082   -2.41955
C       0.24522    2.57287   -2.87045
C      -0.61880    1.36082    2.41955
C      -0.24522   -2.57287    2.87045
C       1.81443   -0.78205   -4.58764
C      -0.95041    3.15165   -0.70235
C      -1.81443    0.78205    4.58764
C       0.95041   -3.15165    0.70235
C       1.51313   -1.91077   -3.56223
C      -0.64911    2.02293   -1.72777
C      -1.51313    1.91077    3.56223
C       0.64911   -2.02293    1.72777
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.15619   -8.41728   -6.30972
H      -6.29218   -4.48358    1.01973
H      -7.15619    8.41728    6.30972
H       6.29218    4.48358   -1.01973
H       7.02094   -3.95362   -7.78695
H      -6.15692   -0.01991    2.49696
H      -7.02094    3.95362    7.78695
H       6.15692    0.01991   -2.49696
H       6.74948   -5.20051   -9.02278
H      -5.88547   -1.26680    3.73279
H      -6.74948    5.20051    9.02278
H       5.88547    1.26680   -3.73279
H       5.48694   -3.99970   -8.68165
H      -4.62293   -0.06599    3.39166
H      -5.48694    3.99970    8.68165
H       4.62293    0.06599   -3.39165
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.28308   -0.91260   -2.84021
H       1.14709    3.02110   -2.44978
H       0.28308    0.91260    2.84021
H      -1.14709   -3.02110    2.44978
H       0.32087   -2.16909   -1.75340
H       0.54314    1.76461   -3.53659
H      -0.32087    2.16909    1.75340
H      -0.54314   -1.76461    3.53659
H       1.15691   -0.60499   -1.84959
H      -0.29289    3.32870   -3.44040
H      -1.15691    0.60499    1.84959
H       0.29289   -3.32870    3.44040
H       2.41302   -1.18237   -5.41094
H      -1.54900    2.75133    0.12095
H      -2.41302    1.18237    5.41094
H       1.54900   -2.75133   -0.12095
H       0.88198   -0.39000   -4.99348
H      -0.01796    3.54370   -0.29652
H      -0.88198    0.39000    4.99348
H       0.01796   -3.54370    0.29652
H       2.36200    0.02527   -4.11228
H      -1.49798    3.95897   -1.17771
H      -2.36200   -0.02527    4.11228
H       1.49798   -3.95897    1.17771
H       1.73627   -1.28919   -4.43380
H      -0.87225    2.64451   -0.85620
H      -1.73627    1.28919    4.43380
H       0.87225   -2.64451    0.85620
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.70838   -6.03796   -6.02280
O      -6.84437   -2.10425    0.73281
O      -7.70838    6.03796    6.02280
O       6.84437    2.10425   -0.73281
O       6.52275   -7.81652   -6.65923
O      -5.65874   -3.88281    1.36924
O      -6.52275    7.81652    6.65923
O       5.65874    3.88281   -1.36924
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.69716   -6.48023   -6.56356
C      -5.83314   -2.54652    1.27356
C      -6.69716    6.48023    6.56356
C       5.83314    2.54652   -1.27356
C       6.27421   -4.61077   -8.23520
C      -5.41020   -0.67706    2.94521
C      -6.27421    4.61077    8.23520
C       5.41020    0.67706   -2.94521
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.63028   -1.33153   -2.43391
C       0.23374    2.60216   -2.85608
C      -0.63028    1.33153    2.43391
C      -0.23374   -2.60216    2.85608
C       1.86243   -0.74763   -4.58008
C      -0.99841    3.18607   -0.70992
C      -1.86243    0.74763    4.58008
C       0.99841   -3.18607    0.70992
C       1.52992   -1.88293   -3.57171
C      -0.66590    2.05077   -1.71828
C      -1.52992    1.88293    3.57171
C       0.66590   -2.05077    1.71828
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.15619   -8.41728   -6.30972
H      -6.29218   -4.48358    1.01973
H      -7.15619    8.41728    6.30972
H       6.29218    4.48358   -1.01973
H       7.02094   -3.95362   -7.78695
H      -6.15692   -0.01991    2.49696
H      -7.02094    3.95362    7.78695
H       6.15692    0.01991   -2.49696
H       6.74948   -5.20051   -9.02278
H      -5.88547   -1.26680    3.73279
H      -6.74948    5.20051    9.02278
H       5.88547    1.26680   -3.73279
H       5.48694   -3.99970   -8.68165
H      -4.62293   -0.06599    3.39166
H      -5.48694    3.99970    8.68165
H       4.62293    0.06599   -3.39165
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.25882   -0.86381   -2.86051
H       1.12284    3.06989   -2.42948
H       0.25882    0.86381    2.86051
H      -1.12284   -3.06989    2.42948
H       0.31089   -2.14239   -1.78099
H       0.55313    1.79131   -3.50901
H      -0.31089    2.14239    1.78099
H      -0.55313   -1.79131    3.50901
H       1.17334   -0.59119   -1.84854
H      -0.30932    3.34251   -3.44146
H      -1.17334    0.59119    1.84854
H       0.30932   -3.34251    3.44146
H       2.46479   -1.14825   -5.40047
H      -1.60077    2.78546    0.11048
H      -2.46479    1.14825    5.40047
H       1.60077   -2.78546   -0.11048
H       0.94166   -0.33575   -4.99288
H      -0.07764    3.59795   -0.29711
H      -0.94166    0.33575    4.99288
H       0.07764   -3.59795    0.29711
H       2.41698    0.04513   -4.08857
H      -1.55296    3.97883   -1.20143
H      -2.41698   -0.04513    4.08857
H       1.55296   -3.97883    1.20143
H       1.77411   -1.25515   -4.43313
H      -0.91009    2.67855   -0.85686
H      -1.77411    1.25515    4.43313
H       0.91009   -2.67855    0.85686
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.70838   -6.03796   -6.02280
O      -6.84437   -2.10425    0.73281
O      -7.70838    6.03796    6.02280
O       6.84437    2.10425   -0.73281
O       6.52275   -7.81652   -6.65923
O      -5.65874   -3.88281    1.36924
O      -6.52275    7.81652    6.65923
O       5.65874    3.88281   -1.36924
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.72870   -6.44621   -6.56747
C      -5.86469   -2.51251    1.27748
C      -6.72870    6.44621    6.56747
C       5.86469    2.51251   -1.27748
C       6.23358   -4.61351   -8.25987
C      -5.36956   -0.67980    2.96988
C      -6.23358    4.61351    8.25987
C       5.36956    0.67980   -2.96988
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.63028   -1.33153   -2.43391
C       0.23374    2.60216   -2.85608
C      -0.63028    1.33153    2.43391
C      -0.23374   -2.60216    2.85608
C       1.86243   -0.74763   -4.58008
C      -0.99841    3.18607   -0.70992
C      -1.86243    0.74763    4.58008
C       0.99841   -3.18607    0.70992
C       1.52992   -1.88293   -3.57171
C      -0.66590    2.05077   -1.71828
C      -1.52992    1.88293    3.57171
C       0.66590   -2.05077    1.71828
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.23763   -8.36780   -6.29210
H      -6.37361   -4.43410    1.00211
H      -7.23763    8.36780    6.29210
H       6.37361    4.43410   -1.00211
H       6.97200   -3.93216   -7.83459
H      -6.10798    0.00155    2.54460
H      -6.97200    3.93216    7.83459
H       6.10798   -0.00155   -2.54460
H       6.70932   -5.20422   -9.04644
H      -5.84531   -1.27051    3.75644
H      -6.70932    5.20422    9.04644
H       5.84531    1.27051   -3.75644
H       5.42467   -4.02807   -8.70195
H      -4.56065   -0.09436    3.41196
H      -5.42467    4.02807    8.70195
H       4.56065    0.09436   -3.41196
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.25882   -0.86381   -2.86051
H       1.12284    3.06989   -2.42948
H       0.25882    0.86381    2.86051
H      -1.12284   -3.06989    2.42948
H       0.31089   -2.14239   -1.78099
H       0.55313    1.79131   -3.50901
H      -0.31089    2.14239    1.78099
H      -0.55313   -1.79131    3.50901
H       1.17334   -0.59119   -1.84854
H      -0.30932    3.34251   -3.44146
H      -1.17334    0.59119    1.84854
H       0.30932   -3.34251    3.44146
H       2.46479   -1.14825   -5.40047
H      -1.60077    2.78546    0.11048
H      -2.46479    1.14825    5.40047
H       1.60077   -2.78546   -0.11048
H       0.94166   -0.33575   -4.99288
H      -0.07764    3.59795   -0.29711
H      -0.94166    0.33575    4.99288
H       0.07764   -3.59795    0.29711
H       2.41698    0.04513   -4.08857
H      -1.55296    3.97883   -1.20143
H      -2.41698   -0.04513    4.08857
H       1.55296   -3.97883    1.20143
H       1.77411   -1.25515   -4.43313
H      -0.91009    2.67855   -0.85686
H      -1.77411    1.25515    4.43313
H       0.91009   -2.67855    0.85686
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.73815   -5.97202   -6.05100
O      -6.87414   -2.03832    0.76101
O      -7.73815    5.97202    6.05100
O       6.87414    2.03832   -0.76101
O       6.58436   -7.78755   -6.63977
O      -5.72034   -3.85384    1.34978
O      -6.58436    7.78755    6.63977
O       5.72034    3.85384   -1.34978
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.71106   -6.46540   -6.56514
C      -5.84704   -2.53169    1.27515
C      -6.71106    6.46540    6.56514
C       5.84704    2.53169   -1.27515
C       6.25641   -4.61181   -8.24611
C      -5.39240   -0.67810    2.95611
C      -6.25641    4.61181    8.24611
C       5.39240    0.67810   -2.95611
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.63028   -1.33153   -2.43391
C       0.23374    2.60216   -2.85608
C      -0.63028    1.33153    2.43391
C      -0.23374   -2.60216    2.85608
C       1.86243   -0.74763   -4.58008
C      -0.99841    3.18607   -0.70992
C      -1.86243    0.74763    4.58008
C       0.99841   -3.18607    0.70992
C       1.52992   -1.88293   -3.57171
C      -0.66590    2.05077   -1.71828
C      -1.52992    1.88293    3.57171
C       0.66590   -2.05077    1.71828
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.19197   -8.39585   -6.30173
H      -6.32795   -4.46215    1.01174
H      -7.19197    8.39585    6.30173
H       6.32795    4.46215   -1.01174
H       6.99961   -3.94397   -7.80790
H      -6.13560   -0.01026    2.51791
H      -6.99961    3.94397    7.80790
H       6.13560    0.01026   -2.51791
H       6.73189   -5.20198   -9.03324
H      -5.86787   -1.26826    3.74325
H      -6.73189    5.20198    9.03324
H       5.86787    1.26826   -3.74325
H       5.45958   -4.01192   -8.69074
H      -4.59556   -0.07821    3.40074
H      -5.45958    4.01192    8.69074
H       4.59556    0.07821   -3.40074
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.25882   -0.86381   -2.86051
H       1.12284    3.06989   -2.42948
H       0.25882    0.86381    2.86051
H      -1.12284   -3.06989    2.42948
H       0.31089   -2.14239   -1.78099
H       0.55313    1.79131   -3.50901
H      -0.31089    2.14239    1.78099
H      -0.55313   -1.79131    3.50901
H       1.17334   -0.59119   -1.84854
H      -0.30932    3.34251   -3.44146
H      -1.17334    0.59119    1.84854
H       0.30932   -3.34251    3.44146
H       2.46479   -1.14825   -5.40047
H      -1.60077    2.78546    0.11048
H      -2.46479    1.14825    5.40047
H       1.60077   -2.78546   -0.11048
H       0.94166   -0.33575   -4.99288
H      -0.07764    3.59795   -0.29711
H      -0.94166    0.33575    4.99288
H       0.07764   -3.59795    0.29711
H       2.41698    0.04513   -4.08857
H      -1.55296    3.97883   -1.20143
H      -2.41698   -0.04513    4.08857
H       1.55296   -3.97883    1.20143
H       1.77411   -1.25515   -4.43313
H      -0.91009    2.67855   -0.85686
H      -1.77411    1.25515    4.43313
H       0.91009   -2.67855    0.85686
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.72165   -6.00908   -6.03498
O      -6.85763   -2.07538    0.74498
O      -7.72165    6.00908    6.03498
O       6.85763    2.07538   -0.74498
O       6.54977   -7.80403   -6.65052
O      -5.68576   -3.87032    1.36052
O      -6.54977    7.80403    6.65052
O       5.68576    3.87032   -1.36052
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.71106   -6.46540   -6.56514
C      -5.84704   -2.53169    1.27515
C      -6.71106    6.46540    6.56514
C       5.84704    2.53169   -1.27515
C       6.25641   -4.61181   -8.24611
C      -5.39240   -0.67810    2.95611
C      -6.25641    4.61181    8.24611
C       5.39240    0.67810   -2.95611
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.65990   -1.26275   -2.46578
C       0.20412    2.67095   -2.82421
C      -0.65990    1.26275    2.46578
C      -0.20412   -2.67095    2.82421
C       1.97715   -0.67013   -4.55835
C      -1.11313    3.26357   -0.73165
C      -1.97715    0.67013    4.55835
C       1.11313   -3.26357    0.73165
C       1.57170   -1.81812   -3.59191
C      -0.70769    2.11558   -1.69809
C      -1.57170    1.81812    3.59191
C       0.70769   -2.11558    1.69809
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.19197   -8.39585   -6.30173
H      -6.32795   -4.46215    1.01174
H      -7.19197    8.39585    6.30173
H       6.32795    4.46215   -1.01174
H       6.99961   -3.94397   -7.80790
H      -6.13560   -0.01026    2.51791
H      -6.99961    3.94397    7.80790
H       6.13560    0.01026   -2.51791
H       6.73189   -5.20198   -9.03324
H      -5.86787   -1.26826    3.74325
H      -6.73189    5.20198    9.03324
H       5.86787    1.26826   -3.74325
H       5.45958   -4.01192   -8.69074
H      -4.59556   -0.07821    3.40074
H      -5.45958    4.01192    8.69074
H       4.59556    0.07821   -3.40074
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.19762   -0.74975   -2.90481
H       1.06163    3.18395   -2.38518
H       0.19762    0.74975    2.90481
H      -1.06163   -3.18395    2.38518
H       0.29053   -2.07770   -1.84512
H       0.57349    1.85599   -3.44487
H      -0.29053    2.07770    1.84512
H      -0.57349   -1.85599    3.44487
H       1.21285   -0.55984   -1.84462
H      -0.34884    3.37386   -3.44537
H      -1.21285    0.55984    1.84462
H       0.34884   -3.37386    3.44537
H       2.58822   -1.07182   -5.37176
H      -1.72420    2.86188    0.08176
H      -2.58822    1.07182    5.37176
H       1.72420   -2.86188   -0.08176
H       1.08547   -0.21205   -4.98606
H      -0.22145    3.72165   -0.30393
H      -1.08547    0.21205    4.98606
H       0.22145   -3.72165    0.30393
H       2.54638    0.08719   -4.02919
H      -1.68236    4.02089   -1.26080
H      -2.54638   -0.08719    4.02919
H       1.68236   -4.02089    1.26080
H       1.86527   -1.17758   -4.42816
H      -1.00125    2.75612   -0.86184
H      -1.86527    1.17758    4.42816
H       1.00125   -2.75612    0.86184
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.72165   -6.00908   -6.03498
O      -6.85763   -2.07538    0.74498
O      -7.72165    6.00908    6.03498
O       6.85763    2.07538   -0.74498
O       6.54977   -7.80403   -6.65052
O      -5.68576   -3.87032    1.36052
O      -6.54977    7.80403    6.65052
O       5.68576    3.87032   -1.36052
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.71106   -6.46540   -6.56514
C      -5.84704   -2.53169    1.27515
C      -6.71106    6.46540    6.56514
C       5.84704    2.53169   -1.27515
C       6.25641   -4.61181   -8.24611
C      -5.39240   -0.67810    2.95611
C      -6.25641    4.61181    8.24611
C       5.39240    0.67810   -2.95611
C       5.66316   -5.55834   -7.16935
C      -4.79914   -1.62463    1.87936
C      -5.66316    5.55834    7.16935
C       4.79914    1.62463   -1.87936
C       0.60178   -1.37000   -2.46653
C       0.26223    2.56370   -2.82347
C      -0.60178    1.37000    2.46653
C      -0.26223   -2.56370    2.82347
C       1.97511   -0.59393   -4.46074
C      -1.11109    3.33977   -0.82926
C      -1.97511    0.59393    4.46074
C       1.11109   -3.33977    0.82926
C       1.57170   -1.81812   -3.59191
C      -0.70769    2.11558   -1.69809
C      -1.57170    1.81812    3.59191
C       0.70769   -2.11558    1.69809
C       2.84475   -2.51158   -3.02428
C      -1.98073    1.42211   -2.26571
C      -2.84475    2.51158    3.02428
C       1.98073   -1.42211    2.26571
C       5.54861   -3.64691   -5.48376
C      -4.68460    0.28679    0.19376
C      -5.54861    3.64691    5.48376
C       4.68460   -0.28679   -0.19376
C       4.87380   -2.92604   -4.49036
C      -4.00978    1.00766   -0.79963
C      -4.87380    2.92604    4.49036
C       4.00978   -1.00766    0.79963
C       4.95035   -4.77170   -6.08306
C      -4.08633   -0.83800    0.79307
C      -4.95035    4.77170    6.08306
C       4.08633    0.83800   -0.79307
C       3.66183   -5.15081   -5.67144
C      -2.79781   -1.21711    0.38144
C      -3.66183    5.15081    5.67144
C       2.79781    1.21711   -0.38144
C       3.58652   -3.31642   -4.07109
C      -2.72251    0.61728   -1.21890
C      -3.58652    3.31642    4.07109
C       2.72251   -0.61728    1.21890
C       2.98511   -4.43220   -4.67754
C      -2.12109   -0.49850   -0.61246
C      -2.98511    4.43220    4.67754
C       2.12109    0.49850    0.61246
H       7.19197   -8.39585   -6.30173
H      -6.32795   -4.46215    1.01174
H      -7.19197    8.39585    6.30173
H       6.32795    4.46215   -1.01174
H       6.99961   -3.94397   -7.80790
H      -6.13560   -0.01026    2.51791
H      -6.99961    3.94397    7.80790
H       6.13560    0.01026   -2.51791
H       6.73189   -5.20198   -9.03324
H      -5.86787   -1.26826    3.74325
H      -6.73189    5.20198    9.03324
H       5.86787    1.26826   -3.74325
H       5.45958   -4.01192   -8.69074
H      -4.59556   -0.07821    3.40074
H      -5.45958    4.01192    8.69074
H       4.59556    0.07821   -3.40074
H       5.05550   -6.42739   -7.43381
H      -4.19149   -2.49368    2.14381
H      -5.05550    6.42739    7.43381
H       4.19149    2.49368   -2.14381
H      -0.25513   -0.85317   -2.90223
H       1.11915    3.08053   -2.38776
H       0.25513    0.85317    2.90223
H      -1.11915   -3.08053    2.38776
H       0.23633   -2.23689   -1.91812
H       0.62768    1.69681   -3.37187
H      -0.23633    2.23689    1.91812
H      -0.62768   -1.69681    3.37187
H       1.10867   -0.69615   -1.77756
H      -0.24465    3.23755   -3.51244
H      -1.10867    0.69615    1.77756
H       0.24465   -3.23755    3.51244
H       2.62821   -0.91955   -5.27549
H      -1.76419    3.01415   -0.01451
H      -2.62821    0.91955    5.27549
H       1.76419   -3.01415    0.01451
H       1.08543   -0.13366   -4.89026
H      -0.22141    3.80004   -0.39974
H      -1.08543    0.13366    4.89026
H       0.22141   -3.80004    0.39974
H       2.49987    0.14108   -3.85911
H      -1.63586    4.07478   -1.43088
H      -2.49987   -0.14108    3.85911
H       1.63586   -4.07478    1.43088
H       1.86527   -1.17758   -4.42816
H      -1.00125    2.75612   -0.86184
H      -1.86527    1.17758    4.42816
H       1.00125   -2.75612    0.86184
H       2.04175   -3.11676   -2.60036
H      -1.17773    0.81694   -2.68963
H      -2.04175    3.11676    2.60036
H       1.17773   -0.81694    2.68963
H       3.54635   -2.27463   -2.21545
H      -2.68233    1.65906   -3.07455
H      -3.54635    2.27463    2.21545
H       2.68233   -1.65906    3.07455
H       6.50667   -3.33312   -5.78076
H      -5.64266    0.60058    0.49076
H      -6.50667    3.33312    5.78076
H       5.64266   -0.60058   -0.49076
H       5.33397   -2.08650   -4.05751
H      -4.46995    1.84720   -1.23248
H      -5.33397    2.08650    4.05751
H       4.46995   -1.84720    1.23248
H       3.18978   -5.98210   -6.11204
H      -2.32577   -2.04839    0.82204
H      -3.18978    5.98210    6.11204
H       2.32577    2.04839   -0.82204
H       2.02088   -4.73096   -4.38980
H      -1.15687   -0.79726   -0.90019
H      -2.02088    4.73096    4.38980
H       1.15687    0.79726    0.90019
O       7.72165   -6.00908   -6.03498
O      -6.85763   -2.07538    0.74498
O      -7.72165    6.00908    6.03498
O       6.85763    2.07538   -0.74498
O       6.54977   -7.80403   -6.65052
O      -5.68576   -3.87032    1.36052
O      -6.54977    7.80403    6.65052
O       5.68576    3.87032   -1.36052
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.78044   -6.50812   -6.32516
C      -5.91643   -2.57442    1.03516
C      -6.78044    6.50812    6.32516
C       5.91643    2.57442   -1.03516
C       6.40155   -4.71843   -8.09196
C      -5.53753   -0.78472    2.80197
C      -6.40155    4.71843    8.09196
C       5.53753    0.78472   -2.80197
C       5.76037   -5.62698   -7.00996
C      -4.89635   -1.69327    1.71996
C      -5.76037    5.62698    7.00996
C       4.89635    1.69327   -1.71996
C       0.48027   -1.28604   -2.70262
C       0.38374    2.64766   -2.58738
C      -0.48027    1.28604    2.70262
C      -0.38374   -2.64766    2.58738
C       1.94347   -0.57882   -4.65814
C      -1.07946    3.35489   -0.63186
C      -1.94347    0.57882    4.65814
C       1.07946   -3.35489    0.63186
C       1.50199   -1.77181   -3.76477
C      -0.63797    2.16189   -1.52522
C      -1.50199    1.77181    3.76477
C       0.63797   -2.16189    1.52522
C       2.74835   -2.44013   -3.11387
C      -1.88433    1.49357   -2.17612
C      -2.74835    2.44013    3.11387
C       1.88433   -1.49357    2.17612
C       5.56501   -3.65578   -5.40243
C      -4.70099    0.27792    0.11244
C      -5.56501    3.65578    5.40243
C       4.70099   -0.27792   -0.11244
C       4.84380   -2.90134   -4.46834
C      -3.97979    1.03236   -0.82166
C      -4.84380    2.90134    4.46834
C       3.97979   -1.03236    0.82166
C       4.99681   -4.80353   -5.98729
C      -4.13280   -0.86983    0.69730
C      -4.99681    4.80353    5.98729
C       4.13280    0.86983   -0.69730
C       3.69114   -5.17145   -5.62218
C      -2.82712   -1.23775    0.33219
C      -3.69114    5.17145    5.62218
C       2.82712    1.23775   -0.33219
C       3.53904   -3.28023   -4.09512
C      -2.67502    0.65347   -1.19487
C      -3.53904    3.28023    4.09512
C       2.67502   -0.65347    1.19487
C       2.96801   -4.41924   -4.68758
C      -2.10400   -0.48554   -0.60241
C      -2.96801    4.41924    4.68758
C       2.10400    0.48554    0.60241
H       7.25142   -8.42618   -5.96942
H      -6.38740   -4.49248    0.67943
H      -7.25142    8.42618    5.96942
H       6.38740    4.49248   -0.67943
H       7.12266   -4.03275   -7.64451
H      -6.25864   -0.09904    2.35452
H      -7.12266    4.03275    7.64451
H       6.25864    0.09904   -2.35452
H       6.91387   -5.33539   -8.83416
H      -6.04986   -1.40167    3.54416
H      -6.91387    5.33539    8.83416
H       6.04986    1.40167   -3.54416
H       5.62532   -4.13764   -8.59462
H      -4.76130   -0.20393    3.30462
H      -5.62532    4.13764    8.59462
H       4.76130    0.20393   -3.30462
H       5.16690   -6.50699   -7.27033
H      -4.30288   -2.57328    1.98034
H      -5.16690    6.50699    7.27033
H       4.30288    2.57328   -1.98034
H      -0.35626   -0.78812   -3.19611
H       1.22028    3.14558   -2.09389
H       0.35626    0.78812    3.19611
H      -1.22028   -3.14558    2.09389
H       0.09104   -2.13352   -2.14041
H       0.77297    1.80017   -3.14958
H      -0.09104    2.13352    2.14041
H      -0.77297   -1.80017    3.14958
H       0.95368   -0.58595   -2.01600
H      -0.08966    3.34775   -3.27399
H      -0.95368    0.58595    2.01600
H       0.08966   -3.34775    3.27399
H       2.63413   -0.93184   -5.42934
H      -1.77011    3.00186    0.13935
H      -2.63413    0.93184    5.42934
H       1.77011   -3.00186   -0.13935
H       1.07400   -0.13730   -5.14491
H      -0.20999    3.79640   -0.14508
H      -1.07400    0.13730    5.14491
H       0.20999   -3.79640    0.14508
H       2.43871    0.17927   -4.06012
H      -1.57469    4.11297   -1.22987
H      -2.43871   -0.17927    4.06012
H       1.57469   -4.11297    1.22987
H       1.83309   -1.16123   -4.60938
H      -0.96907    2.77247   -0.68062
H      -1.83309    1.16123    4.60938
H       0.96907   -2.77247    0.68062
H       1.92743   -3.03198   -2.70575
H      -1.06341    0.90172   -2.58425
H      -1.92743    3.03198    2.70575
H       1.06341   -0.90172    2.58425
H       3.41134   -2.17167   -2.28262
H      -2.54732    1.76203   -3.00737
H      -3.41134    2.17167    2.28262
H       2.54732   -1.76203    3.00737
H       6.53535   -3.35001   -5.66603
H      -5.67134    0.58369    0.37604
H      -6.53535    3.35001    5.66603
H       5.67134   -0.58369   -0.37604
H       5.28219   -2.04514   -4.04561
H      -4.41817    1.88856   -1.24438
H      -5.28219    2.04514    4.04561
H       4.41817   -1.88856    1.24438
H       3.24124   -6.01971   -6.05349
H      -2.37723   -2.08601    0.76350
H      -3.24124    6.01971    6.05349
H       2.37723    2.08601   -0.76350
H       1.99192   -4.71035   -4.43407
H      -1.12790   -0.77665   -0.85593
H      -1.99192    4.71035    4.43407
H       1.12790    0.77665    0.85593
O       7.76469   -6.02962   -5.76581
O      -6.90068   -2.09592    0.47581
O      -7.76469    6.02962    5.76581
O       6.90068    2.09592   -0.47581
O       6.62523   -7.84948   -6.36895
O      -5.76122   -3.91577    1.07895
O      -6.62523    7.84948    6.36895
O       5.76121    3.91577   -1.07895
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.78044   -6.50812   -6.32516
C      -5.91643   -2.57442    1.03516
C      -6.78044    6.50812    6.32516
C       5.91643    2.57442   -1.03516
C       6.40155   -4.71843   -8.09196
C      -5.53753   -0.78472    2.80197
C      -6.40155    4.71843    8.09196
C       5.53753    0.78472   -2.80197
C       5.76037   -5.62698   -7.00996
C      -4.89635   -1.69327    1.71996
C      -5.76037    5.62698    7.00996
C       4.89635    1.69327   -1.71996
C       0.28630   -1.74327   -2.80072
C       0.57772    2.19043   -2.48928
C      -0.28630    1.74327    2.80072
C      -0.57772   -2.19043    2.48928
C       1.84977   -0.32680   -4.22000
C      -0.98575    3.60690   -1.06999
C      -1.84977    0.32680    4.22000
C       0.98575   -3.60690    1.06999
C       1.50199   -1.77181   -3.76477
C      -0.63797    2.16189   -1.52522
C      -1.50199    1.77181    3.76477
C       0.63797   -2.16189    1.52522
C       2.74835   -2.44013   -3.11387
C      -1.88433    1.49357   -2.17612
C      -2.74835    2.44013    3.11387
C       1.88433   -1.49357    2.17612
C       5.56501   -3.65578   -5.40243
C      -4.70099    0.27792    0.11244
C      -5.56501    3.65578    5.40243
C       4.70099   -0.27792   -0.11244
C       4.84380   -2.90134   -4.46834
C      -3.97979    1.03236   -0.82166
C      -4.84380    2.90134    4.46834
C       3.97979   -1.03236    0.82166
C       4.99681   -4.80353   -5.98729
C      -4.13280   -0.86983    0.69730
C      -4.99681    4.80353    5.98729
C       4.13280    0.86983   -0.69730
C       3.69114   -5.17145   -5.62218
C      -2.82712   -1.23775    0.33219
C      -3.69114    5.17145    5.62218
C       2.82712    1.23775   -0.33219
C       3.53904   -3.28023   -4.09512
C      -2.67502    0.65347   -1.19487
C      -3.53904    3.28023    4.09512
C       2.67502   -0.65347    1.19487
C       2.96801   -4.41924   -4.68758
C      -2.10400   -0.48554   -0.60241
C      -2.96801    4.41924    4.68758
C       2.10400    0.48554    0.60241
H       7.25142   -8.42618   -5.96942
H      -6.38740   -4.49248    0.67943
H      -7.25142    8.42618    5.96942
H       6.38740    4.49248   -0.67943
H       7.12266   -4.03275   -7.64451
H      -6.25864   -0.09904    2.35452
H      -7.12266    4.03275    7.64451
H       6.25864    0.09904   -2.35452
H       6.91387   -5.33539   -8.83416
H      -6.04986   -1.40167    3.54416
H      -6.91387    5.33539    8.83416
H       6.04986    1.40167   -3.54416
H       5.62532   -4.13764   -8.59462
H      -4.76130   -0.20393    3.30462
H      -5.62532    4.13764    8.59462
H       4.76130    0.20393   -3.30462
H       5.16690   -6.50699   -7.27033
H      -4.30288   -2.57328    1.98034
H      -5.16690    6.50699    7.27033
H       4.30288    2.57328   -1.98034
H      -0.55119   -1.23151   -3.27817
H       1.41521    2.70219   -2.01182
H       0.55119    1.23151    3.27817
H      -1.41521   -2.70219    2.01182
H      -0.02543   -2.75823   -2.55887
H       0.88945    1.17547   -2.73113
H       0.02543    2.75823    2.55887
H      -0.88945   -1.17547    2.73113
H       0.54496   -1.21814   -1.88256
H       0.31905    2.71555   -3.40744
H      -0.54496    1.21814    1.88256
H      -0.31905   -2.71555    3.40744
H       2.68244   -0.35415   -4.92874
H      -1.81842    3.57955   -0.36125
H      -2.68244    0.35415    4.92874
H       1.81842   -3.57955    0.36125
H       0.98859    0.12540   -4.71168
H      -0.12457    4.05910   -0.57831
H      -0.98859   -0.12540    4.71168
H       0.12457   -4.05910    0.57831
H       2.13148    0.28164   -3.36677
H      -1.26747    4.21534   -1.92322
H      -2.13148   -0.28164    3.36677
H       1.26747   -4.21534    1.92322
H       1.83309   -1.16123   -4.60938
H      -0.96907    2.77247   -0.68062
H      -1.83309    1.16123    4.60938
H       0.96907   -2.77247    0.68062
H       1.92743   -3.03198   -2.70575
H      -1.06341    0.90172   -2.58425
H      -1.92743    3.03198    2.70575
H       1.06341   -0.90172    2.58425
H       3.41134   -2.17167   -2.28262
H      -2.54732    1.76203   -3.00737
H      -3.41134    2.17167    2.28262
H       2.54732   -1.76203    3.00737
H       6.53535   -3.35001   -5.66603
H      -5.67134    0.58369    0.37604
H      -6.53535    3.35001    5.66603
H       5.67134   -0.58369   -0.37604
H       5.28219   -2.04514   -4.04561
H      -4.41817    1.88856   -1.24438
H      -5.28219    2.04514    4.04561
H       4.41817   -1.88856    1.24438
H       3.24124   -6.01971   -6.05349
H      -2.37723   -2.08601    0.76350
H      -3.24124    6.01971    6.05349
H       2.37723    2.08601   -0.76350
H       1.99192   -4.71035   -4.43407
H      -1.12790   -0.77665   -0.85593
H      -1.99192    4.71035    4.43407
H       1.12790    0.77665    0.85593
O       7.76469   -6.02962   -5.76581
O      -6.90068   -2.09592    0.47581
O      -7.76469    6.02962    5.76581
O       6.90068    2.09592   -0.47581
O       6.62523   -7.84948   -6.36895
O      -5.76122   -3.91577    1.07895
O      -6.62523    7.84948    6.36895
O       5.76121    3.91577   -1.07895
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.78044   -6.50812   -6.32516
C      -5.91643   -2.57442    1.03516
C      -6.78044    6.50812    6.32516
C       5.91643    2.57442   -1.03516
C       6.40155   -4.71843   -8.09196
C      -5.53753   -0.78472    2.80197
C      -6.40155    4.71843    8.09196
C       5.53753    0.78472   -2.80197
C       5.76037   -5.62698   -7.00996
C      -4.89635   -1.69327    1.71996
C      -5.76037    5.62698    7.00996
C       4.89635    1.69327   -1.71996
C       0.33929   -1.59693   -2.75198
C       0.52473    2.33677   -2.53801
C      -0.33929    1.59693    2.75198
C      -0.52473   -2.33677    2.53801
C       1.89104   -0.39234   -4.36637
C      -1.02702    3.54136   -0.92362
C      -1.89104    0.39234    4.36637
C       1.02702   -3.54136    0.92362
C       1.50199   -1.77181   -3.76477
C      -0.63797    2.16189   -1.52522
C      -1.50199    1.77181    3.76477
C       0.63797   -2.16189    1.52522
C       2.74835   -2.44013   -3.11387
C      -1.88433    1.49357   -2.17612
C      -2.74835    2.44013    3.11387
C       1.88433   -1.49357    2.17612
C       5.56501   -3.65578   -5.40243
C      -4.70099    0.27792    0.11244
C      -5.56501    3.65578    5.40243
C       4.70099   -0.27792   -0.11244
C       4.84380   -2.90134   -4.46834
C      -3.97979    1.03236   -0.82166
C      -4.84380    2.90134    4.46834
C       3.97979   -1.03236    0.82166
C       4.99681   -4.80353   -5.98729
C      -4.13280   -0.86983    0.69730
C      -4.99681    4.80353    5.98729
C       4.13280    0.86983   -0.69730
C       3.69114   -5.17145   -5.62218
C      -2.82712   -1.23775    0.33219
C      -3.69114    5.17145    5.62218
C       2.82712    1.23775   -0.33219
C       3.53904   -3.28023   -4.09512
C      -2.67502    0.65347   -1.19487
C      -3.53904    3.28023    4.09512
C       2.67502   -0.65347    1.19487
C       2.96801   -4.41924   -4.68758
C      -2.10400   -0.48554   -0.60241
C      -2.96801    4.41924    4.68758
C       2.10400    0.48554    0.60241
H       7.25142   -8.42618   -5.96942
H      -6.38740   -4.49248    0.67943
H      -7.25142    8.42618    5.96942
H       6.38740    4.49248   -0.67943
H       7.12266   -4.03275   -7.64451
H      -6.25864   -0.09904    2.35452
H      -7.12266    4.03275    7.64451
H       6.25864    0.09904   -2.35452
H       6.91387   -5.33539   -8.83416
H      -6.04986   -1.40167    3.54416
H      -6.91387    5.33539    8.83416
H       6.04986    1.40167   -3.54416
H       5.62532   -4.13764   -8.59462
H      -4.76130   -0.20393    3.30462
H      -5.62532    4.13764    8.59462
H       4.76130    0.20393   -3.30462
H       5.16690   -6.50699   -7.27033
H      -4.30288   -2.57328    1.98034
H      -5.16690    6.50699    7.27033
H       4.30288    2.57328   -1.98034
H      -0.49740   -1.08908   -3.23498
H       1.36142    2.84461   -2.05502
H       0.49740    1.08908    3.23498
H      -1.36142   -2.84461    2.05502
H      -0.00525   -2.56948   -2.40378
H       0.86926    1.36422   -2.88622
H       0.00525    2.56948    2.40378
H      -0.86926   -1.36422    2.88622
H       0.66765   -1.00521   -1.89891
H       0.19637    2.92848   -3.39108
H      -0.66765    1.00521    1.89891
H      -0.19637   -2.92848    3.39108
H       2.68458   -0.52422   -5.10751
H      -1.82057    3.40949   -0.18248
H      -2.68458    0.52422    5.10751
H       1.82057   -3.40949    0.18248
H       1.02730    0.05616   -4.85695
H      -0.16328    3.98986   -0.43305
H      -1.02730   -0.05616    4.85695
H       0.16328   -3.98986    0.43305
H       2.24286    0.27530   -3.58660
H      -1.37884    4.20900   -1.70339
H      -2.24286   -0.27530    3.58660
H       1.37884   -4.20900    1.70339
H       1.83309   -1.16123   -4.60938
H      -0.96907    2.77247   -0.68062
H      -1.83309    1.16123    4.60938
H       0.96907   -2.77247    0.68062
H       1.92743   -3.03198   -2.70575
H      -1.06341    0.90172   -2.58425
H      -1.92743    3.03198    2.70575
H       1.06341   -0.90172    2.58425
H       3.41134   -2.17167   -2.28262
H      -2.54732    1.76203   -3.00737
H      -3.41134    2.17167    2.28262
H       2.54732   -1.76203    3.00737
H       6.53535   -3.35001   -5.66603
H      -5.67134    0.58369    0.37604
H      -6.53535    3.35001    5.66603
H       5.67134   -0.58369   -0.37604
H       5.28219   -2.04514   -4.04561
H      -4.41817    1.88856   -1.24438
H      -5.28219    2.04514    4.04561
H       4.41817   -1.88856    1.24438
H       3.24124   -6.01971   -6.05349
H      -2.37723   -2.08601    0.76350
H      -3.24124    6.01971    6.05349
H       2.37723    2.08601   -0.76350
H       1.99192   -4.71035   -4.43407
H      -1.12790   -0.77665   -0.85593
H      -1.99192    4.71035    4.43407
H       1.12790    0.77665    0.85593
O       7.76469   -6.02962   -5.76581
O      -6.90068   -2.09592    0.47581
O      -7.76469    6.02962    5.76581
O       6.90068    2.09592   -0.47581
O       6.62523   -7.84948   -6.36895
O      -5.76122   -3.91577    1.07895
O      -6.62523    7.84948    6.36895
O       5.76121    3.91577   -1.07895
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.78044   -6.50812   -6.32516
C      -5.91643   -2.57442    1.03516
C      -6.78044    6.50812    6.32516
C       5.91643    2.57442   -1.03516
C       6.40155   -4.71843   -8.09196
C      -5.53753   -0.78472    2.80197
C      -6.40155    4.71843    8.09196
C       5.53753    0.78472   -2.80197
C       5.76037   -5.62698   -7.00996
C      -4.89635   -1.69327    1.71996
C      -5.76037    5.62698    7.00996
C       4.89635    1.69327   -1.71996
C       0.33608   -1.60507   -2.75426
C       0.52794    2.32863   -2.53573
C      -0.33608    1.60507    2.75426
C      -0.52794   -2.32863    2.53573
C       1.88899   -0.38831   -4.35838
C      -1.02497    3.54539   -0.93162
C      -1.88899    0.38831    4.35838
C       1.02497   -3.54539    0.93162
C       1.50199   -1.77181   -3.76477
C      -0.63797    2.16189   -1.52522
C      -1.50199    1.77181    3.76477
C       0.63797   -2.16189    1.52522
C       2.74835   -2.44013   -3.11387
C      -1.88433    1.49357   -2.17612
C      -2.74835    2.44013    3.11387
C       1.88433   -1.49357    2.17612
C       5.56501   -3.65578   -5.40243
C      -4.70099    0.27792    0.11244
C      -5.56501    3.65578    5.40243
C       4.70099   -0.27792   -0.11244
C       4.84380   -2.90134   -4.46834
C      -3.97979    1.03236   -0.82166
C      -4.84380    2.90134    4.46834
C       3.97979   -1.03236    0.82166
C       4.99681   -4.80353   -5.98729
C      -4.13280   -0.86983    0.69730
C      -4.99681    4.80353    5.98729
C       4.13280    0.86983   -0.69730
C       3.69114   -5.17145   -5.62218
C      -2.82712   -1.23775    0.33219
C      -3.69114    5.17145    5.62218
C       2.82712    1.23775   -0.33219
C       3.53904   -3.28023   -4.09512
C      -2.67502    0.65347   -1.19487
C      -3.53904    3.28023    4.09512
C       2.67502   -0.65347    1.19487
C       2.96801   -4.41924   -4.68758
C      -2.10400   -0.48554   -0.60241
C      -2.96801    4.41924    4.68758
C       2.10400    0.48554    0.60241
H       7.25142   -8.42618   -5.96942
H      -6.38740   -4.49248    0.67943
H      -7.25142    8.42618    5.96942
H       6.38740    4.49248   -0.67943
H       7.12266   -4.03275   -7.64451
H      -6.25864   -0.09904    2.35452
H      -7.12266    4.03275    7.64451
H       6.25864    0.09904   -2.35452
H       6.91387   -5.33539   -8.83416
H      -6.04986   -1.40167    3.54416
H      -6.91387    5.33539    8.83416
H       6.04986    1.40167   -3.54416
H       5.62532   -4.13764   -8.59462
H      -4.76130   -0.20393    3.30462
H      -5.62532    4.13764    8.59462
H       4.76130    0.20393   -3.30462
H       5.16690   -6.50699   -7.27033
H      -4.30288   -2.57328    1.98034
H      -5.16690    6.50699    7.27033
H       4.30288    2.57328   -1.98034
H      -0.50064   -1.09700   -3.23696
H       1.36466    2.83670   -2.05303
H       0.50064    1.09700    3.23696
H      -1.36466   -2.83670    2.05303
H      -0.00683   -2.58027   -2.41189
H       0.87084    1.35343   -2.87811
H       0.00683    2.58027    2.41189
H      -0.87084   -1.35343    2.87811
H       0.66058   -1.01680   -1.89734
H       0.20344    2.91689   -3.39265
H      -0.66058    1.01680    1.89734
H      -0.20344   -2.91689    3.39265
H       2.68488   -0.51438   -5.09802
H      -1.82086    3.41932   -0.19197
H      -2.68488    0.51438    5.09802
H       1.82086   -3.41932    0.19197
H       1.02540    0.06038   -4.84902
H      -0.16138    3.99408   -0.44097
H      -1.02540   -0.06038    4.84902
H       0.16138   -3.99408    0.44097
H       2.23695    0.27632   -3.57431
H      -1.37293    4.21002   -1.71568
H      -2.23695   -0.27632    3.57431
H       1.37293   -4.21002    1.71568
H       1.83309   -1.16123   -4.60938
H      -0.96907    2.77247   -0.68062
H      -1.83309    1.16123    4.60938
H       0.96907   -2.77247    0.68062
H       1.92743   -3.03198   -2.70575
H      -1.06341    0.90172   -2.58425
H      -1.92743    3.03198    2.70575
H       1.06341   -0.90172    2.58425
H       3.41134   -2.17167   -2.28262
H      -2.54732    1.76203   -3.00737
H      -3.41134    2.17167    2.28262
H       2.54732   -1.76203    3.00737
H       6.53535   -3.35001   -5.66603
H      -5.67134    0.58369    0.37604
H      -6.53535    3.35001    5.66603
H       5.67134   -0.58369   -0.37604
H       5.28219   -2.04514   -4.04561
H      -4.41817    1.88856   -1.24438
H      -5.28219    2.04514    4.04561
H       4.41817   -1.88856    1.24438
H       3.24124   -6.01971   -6.05349
H      -2.37723   -2.08601    0.76350
H      -3.24124    6.01971    6.05349
H       2.37723    2.08601   -0.76350
H       1.99192   -4.71035   -4.43407
H      -1.12790   -0.77665   -0.85593
H      -1.99192    4.71035    4.43407
H       1.12790    0.77665    0.85593
O       7.76469   -6.02962   -5.76581
O      -6.90068   -2.09592    0.47581
O      -7.76469    6.02962    5.76581
O       6.90068    2.09592   -0.47581
O       6.62523   -7.84948   -6.36895
O      -5.76122   -3.91577    1.07895
O      -6.62523    7.84948    6.36895
O       5.76121    3.91577   -1.07895
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.78044   -6.50812   -6.32516
C      -5.91643   -2.57442    1.03516
C      -6.78044    6.50812    6.32516
C       5.91643    2.57442   -1.03516
C       6.40155   -4.71843   -8.09196
C      -5.53753   -0.78472    2.80197
C      -6.40155    4.71843    8.09196
C       5.53753    0.78472   -2.80197
C       5.76037   -5.62698   -7.00996
C      -4.89635   -1.69327    1.71996
C      -5.76037    5.62698    7.00996
C       4.89635    1.69327   -1.71996
C       0.37710   -1.46654   -2.83979
C       0.48692    2.46716   -2.45020
C      -0.37710    1.46654    2.83979
C      -0.48692   -2.46716    2.45020
C       2.09285   -0.27595   -4.29028
C      -1.22883    3.65775   -0.99971
C      -2.09285    0.27595    4.29028
C       1.22883   -3.65775    0.99971
C       1.58589   -1.65894   -3.79376
C      -0.72188    2.27476   -1.49623
C      -1.58589    1.65894    3.79376
C       0.72188   -2.27476    1.49623
C       2.74835   -2.44013   -3.11387
C      -1.88433    1.49357   -2.17612
C      -2.74835    2.44013    3.11387
C       1.88433   -1.49357    2.17612
C       5.56501   -3.65578   -5.40243
C      -4.70099    0.27792    0.11244
C      -5.56501    3.65578    5.40243
C       4.70099   -0.27792   -0.11244
C       4.84380   -2.90134   -4.46834
C      -3.97979    1.03236   -0.82166
C      -4.84380    2.90134    4.46834
C       3.97979   -1.03236    0.82166
C       4.99681   -4.80353   -5.98729
C      -4.13280   -0.86983    0.69730
C      -4.99681    4.80353    5.98729
C       4.13280    0.86983   -0.69730
C       3.69114   -5.17145   -5.62218
C      -2.82712   -1.23775    0.33219
C      -3.69114    5.17145    5.62218
C       2.82712    1.23775   -0.33219
C       3.53904   -3.28023   -4.09512
C      -2.67502    0.65347   -1.19487
C      -3.53904    3.28023    4.09512
C       2.67502   -0.65347    1.19487
C       2.96801   -4.41924   -4.68758
C      -2.10400   -0.48554   -0.60241
C      -2.96801    4.41924    4.68758
C       2.10400    0.48554    0.60241
H       7.25142   -8.42618   -5.96942
H      -6.38740   -4.49248    0.67943
H      -7.25142    8.42618    5.96942
H       6.38740    4.49248   -0.67943
H       7.12266   -4.03275   -7.64451
H      -6.25864   -0.09904    2.35452
H      -7.12266    4.03275    7.64451
H       6.25864    0.09904   -2.35452
H       6.91387   -5.33539   -8.83416
H      -6.04986   -1.40167    3.54416
H      -6.91387    5.33539    8.83416
H       6.04986    1.40167   -3.54416
H       5.62532   -4.13764   -8.59462
H      -4.76130   -0.20393    3.30462
H      -5.62532    4.13764    8.59462
H       4.76130    0.20393   -3.30462
H       5.16690   -6.50699   -7.27033
H      -4.30288   -2.57328    1.98034
H      -5.16690    6.50699    7.27033
H       4.30288    2.57328   -1.98034
H      -0.39691   -0.88060   -3.33862
H       1.26093    3.05309   -1.95138
H       0.39691    0.88060    3.33862
H      -1.26093   -3.05309    1.95138
H      -0.04577   -2.43292   -2.56939
H       0.90978    1.50078   -2.72060
H       0.04577    2.43292    2.56939
H      -0.90978   -1.50078    2.72060
H       0.68872   -0.94489   -1.93621
H       0.17530    2.98881   -3.35378
H      -0.68872    0.94489    1.93621
H      -0.17530   -2.98881    3.35378
H       2.92008   -0.41699   -4.99185
H      -2.05606    3.51671   -0.29814
H      -2.92008    0.41699    4.99185
H       2.05606   -3.51671    0.29814
H       1.28877    0.25299   -4.80168
H      -0.42475    4.18669   -0.48832
H      -1.28877   -0.25299    4.80168
H       0.42475   -4.18669    0.48832
H       2.43683    0.32391   -3.45397
H      -1.57281    4.25761   -1.83602
H      -2.43683   -0.32391    3.45397
H       1.57281   -4.25761    1.83602
H       2.00260   -1.02987   -4.58523
H      -1.13858    2.90383   -0.70477
H      -2.00260    1.02987    4.58523
H       1.13858   -2.90383    0.70477
H       1.92743   -3.03198   -2.70575
H      -1.06341    0.90172   -2.58425
H      -1.92743    3.03198    2.70575
H       1.06341   -0.90172    2.58425
H       3.41134   -2.17167   -2.28262
H      -2.54732    1.76203   -3.00737
H      -3.41134    2.17167    2.28262
H       2.54732   -1.76203    3.00737
H       6.53535   -3.35001   -5.66603
H      -5.67134    0.58369    0.37604
H      -6.53535    3.35001    5.66603
H       5.67134   -0.58369   -0.37604
H       5.28219   -2.04514   -4.04561
H      -4.41817    1.88856   -1.24438
H      -5.28219    2.04514    4.04561
H       4.41817   -1.88856    1.24438
H       3.24124   -6.01971   -6.05349
H      -2.37723   -2.08601    0.76350
H      -3.24124    6.01971    6.05349
H       2.37723    2.08601   -0.76350
H       1.99192   -4.71035   -4.43407
H      -1.12790   -0.77665   -0.85593
H      -1.99192    4.71035    4.43407
H       1.12790    0.77665    0.85593
O       7.76469   -6.02962   -5.76581
O      -6.90068   -2.09592    0.47581
O      -7.76469    6.02962    5.76581
O       6.90068    2.09592   -0.47581
O       6.62523   -7.84948   -6.36895
O      -5.76122   -3.91577    1.07895
O      -6.62523    7.84948    6.36895
O       5.76121    3.91577   -1.07895
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.34256   -6.69721   -1.16251
C      -7.20657   -2.76350    6.45251
C      -6.34256    6.69721    1.16251
C       7.20657    2.76350   -6.45251
C       5.96366   -4.90751   -2.92931
C      -6.82768   -0.97380    8.21931
C      -5.96366    4.90751    2.92931
C       6.82768    0.97380   -8.21931
C       5.32248   -5.81606   -1.84731
C      -6.18650   -1.88235    7.13730
C      -5.32248    5.81606    1.84731
C       6.18650    1.88235   -7.13730
C      -0.06079   -1.65562    2.32286
C      -0.80323    2.27808    2.96714
C       0.06079    1.65562   -2.32286
C       0.80323   -2.27808   -2.96714
C       1.65496   -0.46503    0.87237
C      -2.51898    3.46867    4.41763
C      -1.65496    0.46503   -0.87237
C       2.51898   -3.46867   -4.41763
C       1.14801   -1.84803    1.36888
C      -2.01202    2.08567    3.92111
C      -1.14801    1.84803   -1.36888
C       2.01202   -2.08567   -3.92111
C       2.31046   -2.62921    2.04878
C      -3.17448    1.30449    3.24122
C      -2.31046    2.62921   -2.04878
C       3.17448   -1.30449   -3.24122
C       5.12712   -3.84487   -0.23978
C      -5.99114    0.08884    5.52978
C      -5.12712    3.84487    0.23978
C       5.99114   -0.08884   -5.52978
C       4.40592   -3.09042    0.69431
C      -5.26993    0.84328    4.59568
C      -4.40592    3.09042   -0.69431
C       5.26993   -0.84328   -4.59568
C       4.55893   -4.99262   -0.82465
C      -5.42294   -1.05891    6.11464
C      -4.55893    4.99262    0.82465
C       5.42294    1.05891   -6.11464
C       3.25325   -5.36053   -0.45953
C      -4.11727   -1.42683    5.74953
C      -3.25325    5.36053    0.45953
C       4.11727    1.42683   -5.74953
C       3.10115   -3.46931    1.06753
C      -3.96517    0.46439    4.22247
C      -3.10115    3.46931   -1.06753
C       3.96517   -0.46439   -4.22247
C       2.53013   -4.60833    0.47506
C      -3.39414   -0.67462    4.81493
C      -2.53013    4.60833   -0.47506
C       3.39414    0.67462   -4.81493
H       6.81353   -8.61526   -0.80677
H      -7.67755   -4.68156    6.09677
H      -6.81353    8.61526    0.80677
H       7.67755    4.68156   -6.09677
H       6.68477   -4.22183   -2.48187
H      -7.54879   -0.28812    7.77186
H      -6.68477    4.22183    2.48187
H       7.54879    0.28812   -7.77186
H       6.47599   -5.52447   -3.67151
H      -7.34000   -1.59076    8.96150
H      -6.47599    5.52447    3.67151
H       7.34000    1.59076   -8.96150
H       5.18743   -4.32673   -3.43197
H      -6.05145   -0.39302    8.72196
H      -5.18743    4.32673    3.43197
H       6.05145    0.39302   -8.72196
H       4.72901   -6.69607   -2.10769
H      -5.59303   -2.76236    7.39768
H      -4.72901    6.69607    2.10769
H       5.59303    2.76236   -7.39768
H      -0.83480   -1.06969    1.82403
H      -0.02922    2.86401    3.46596
H       0.83480    1.06969   -1.82403
H       0.02922   -2.86401   -3.46596
H      -0.48365   -2.62200    2.59326
H      -0.38036    1.31170    2.69674
H       0.48365    2.62200   -2.59326
H       0.38036   -1.31170   -2.69674
H       0.25083   -1.13397    3.22643
H      -1.11485    2.79972    2.06356
H      -0.25083    1.13397   -3.22643
H       1.11485   -2.79972   -2.06356
H       2.48219   -0.60608    0.17079
H      -3.34621    3.32763    5.11920
H      -2.48219    0.60608   -0.17079
H       3.34621   -3.32763   -5.11920
H       0.85088    0.06390    0.36097
H      -1.71490    3.99760    4.92902
H      -0.85088   -0.06390   -0.36097
H       1.71490   -3.99760   -4.92902
H       1.99894    0.13483    1.70867
H      -2.86296    4.06853    3.58132
H      -1.99894   -0.13483   -1.70867
H       2.86296   -4.06853   -3.58132
H       1.56471   -1.21896    0.57742
H      -2.42873    2.71475    4.71257
H      -1.56471    1.21896   -0.57742
H       2.42873   -2.71475   -4.71257
H       1.48954   -3.22106    2.45690
H      -2.35356    0.71264    2.83309
H      -1.48954    3.22106   -2.45690
H       2.35356   -0.71264   -2.83309
H       2.97345   -2.36075    2.88002
H      -3.83747    1.57295    2.40997
H      -2.97345    2.36075   -2.88002
H       3.83747   -1.57295   -2.40997
H       6.09747   -3.53909   -0.50338
H      -6.96148    0.39461    5.79338
H      -6.09747    3.53909    0.50338
H       6.96148   -0.39461   -5.79338
H       4.84430   -2.23423    1.11704
H      -5.70832    1.69947    4.17296
H      -4.84430    2.23423   -1.11704
H       5.70832   -1.69947   -4.17296
H       2.80336   -6.20879   -0.89085
H      -3.66737   -2.27509    6.18084
H      -2.80336    6.20879    0.89085
H       3.66737    2.27509   -6.18084
H       1.55403   -4.89943    0.72858
H      -2.41805   -0.96573    4.56142
H      -1.55403    4.89943   -0.72858
H       2.41805    0.96573   -4.56142
O       7.32681   -6.21871   -0.60316
O      -8.19082   -2.28500    5.89316
O      -7.32681    6.21871    0.60316
O       8.19082    2.28500   -5.89316
O       6.18735   -8.03856   -1.20630
O      -7.05136   -4.10485    6.49629
O      -6.18735    8.03856    1.20630
O       7.05136    4.10485   -6.49629
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.34256   -6.69721   -1.16251
C      -7.20657   -2.76350    6.45251
C      -6.34256    6.69721    1.16251
C       7.20657    2.76350   -6.45251
C       5.96366   -4.90751   -2.92931
C      -6.82768   -0.97380    8.21931
C      -5.96366    4.90751    2.92931
C       6.82768    0.97380   -8.21931
C       5.32248   -5.81606   -1.84731
C      -6.18650   -1.88235    7.13730
C      -5.32248    5.81606    1.84731
C       6.18650    1.88235   -7.13730
C      -0.06079   -1.65562    2.32286
C      -0.80323    2.27808    2.96714
C       0.06079    1.65562   -2.32286
C       0.80323   -2.27808   -2.96714
C       1.65496   -0.46503    0.87237
C      -2.51898    3.46867    4.41763
C      -1.65496    0.46503   -0.87237
C       2.51898   -3.46867   -4.41763
C       1.14801   -1.84803    1.36888
C      -2.01202    2.08567    3.92111
C      -1.14801    1.84803   -1.36888
C       2.01202   -2.08567   -3.92111
C       2.31046   -2.62921    2.04878
C      -3.17448    1.30449    3.24122
C      -2.31046    2.62921   -2.04878
C       3.17448   -1.30449   -3.24122
C       5.12712   -3.84487   -0.23978
C      -5.99114    0.08884    5.52978
C      -5.12712    3.84487    0.23978
C       5.99114   -0.08884   -5.52978
C       4.40592   -3.09042    0.69431
C      -5.26993    0.84328    4.59568
C      -4.40592    3.09042   -0.69431
C       5.26993   -0.84328   -4.59568
C       4.55893   -4.99262   -0.82465
C      -5.42294   -1.05891    6.11464
C      -4.55893    4.99262    0.82465
C       5.42294    1.05891   -6.11464
C       3.25325   -5.36053   -0.45953
C      -4.11727   -1.42683    5.74953
C      -3.25325    5.36053    0.45953
C       4.11727    1.42683   -5.74953
C       3.10115   -3.46931    1.06753
C      -3.96517    0.46439    4.22247
C      -3.10115    3.46931   -1.06753
C       3.96517   -0.46439   -4.22247
C       2.53013   -4.60833    0.47506
C      -3.39414   -0.67462    4.81493
C      -2.53013    4.60833   -0.47506
C       3.39414    0.67462   -4.81493
H       6.77208   -8.61148   -0.74022
H      -7.63610   -4.67778    6.03022
H      -6.77208    8.61148    0.74022
H       7.63610    4.67778   -6.03022
H       6.68477   -4.22183   -2.48187
H      -7.54879   -0.28812    7.77186
H      -6.68477    4.22183    2.48187
H       7.54879    0.28812   -7.77186
H       6.47599   -5.52447   -3.67151
H      -7.34000   -1.59076    8.96150
H      -6.47599    5.52447    3.67151
H       7.34000    1.59076   -8.96150
H       5.18743   -4.32673   -3.43197
H      -6.05145   -0.39302    8.72196
H      -5.18743    4.32673    3.43197
H       6.05145    0.39302   -8.72196
H       4.72901   -6.69607   -2.10769
H      -5.59303   -2.76236    7.39768
H      -4.72901    6.69607    2.10769
H       5.59303    2.76236   -7.39768
H      -0.83480   -1.06969    1.82403
H      -0.02922    2.86401    3.46596
H       0.83480    1.06969   -1.82403
H       0.02922   -2.86401   -3.46596
H      -0.48365   -2.62200    2.59326
H      -0.38036    1.31170    2.69674
H       0.48365    2.62200   -2.59326
H       0.38036   -1.31170   -2.69674
H       0.25083   -1.13397    3.22643
H      -1.11485    2.79972    2.06356
H      -0.25083    1.13397   -3.22643
H       1.11485   -2.79972   -2.06356
H       2.48219   -0.60608    0.17079
H      -3.34621    3.32763    5.11920
H      -2.48219    0.60608   -0.17079
H       3.34621   -3.32763   -5.11920
H       0.85088    0.06390    0.36097
H      -1.71490    3.99760    4.92902
H      -0.85088   -0.06390   -0.36097
H       1.71490   -3.99760   -4.92902
H       1.99894    0.13483    1.70867
H      -2.86296    4.06853    3.58132
H      -1.99894   -0.13483   -1.70867
H       2.86296   -4.06853   -3.58132
H       1.56471   -1.21896    0.57742
H      -2.42873    2.71475    4.71257
H      -1.56471    1.21896   -0.57742
H       2.42873   -2.71475   -4.71257
H       1.48954   -3.22106    2.45690
H      -2.35356    0.71264    2.83309
H      -1.48954    3.22106   -2.45690
H       2.35356   -0.71264   -2.83309
H       2.97345   -2.36075    2.88002
H      -3.83747    1.57295    2.40997
H      -2.97345    2.36075   -2.88002
H       3.83747   -1.57295   -2.40997
H       6.09747   -3.53909   -0.50338
H      -6.96148    0.39461    5.79338
H      -6.09747    3.53909    0.50338
H       6.96148   -0.39461   -5.79338
H       4.84430   -2.23423    1.11704
H      -5.70832    1.69947    4.17296
H      -4.84430    2.23423   -1.11704
H       5.70832   -1.69947   -4.17296
H       2.80336   -6.20879   -0.89085
H      -3.66737   -2.27509    6.18084
H      -2.80336    6.20879    0.89085
H       3.66737    2.27509   -6.18084
H       1.55403   -4.89943    0.72858
H      -2.41805   -0.96573    4.56142
H      -1.55403    4.89943   -0.72858
H       2.41805    0.96573   -4.56142
O       7.36063   -6.22489   -0.66156
O      -8.22465   -2.29119    5.95156
O      -7.36063    6.22489    0.66156
O       8.22465    2.29119   -5.95156
O       6.14771   -8.03393   -1.14136
O      -7.01173   -4.10022    6.43135
O      -6.14771    8.03393    1.14136
O       7.01173    4.10022   -6.43135
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.34256   -6.69721   -1.16251
C      -7.20657   -2.76350    6.45251
C      -6.34256    6.69721    1.16251
C       7.20657    2.76350   -6.45251
C       5.96366   -4.90751   -2.92931
C      -6.82768   -0.97380    8.21931
C      -5.96366    4.90751    2.92931
C       6.82768    0.97380   -8.21931
C       5.32248   -5.81606   -1.84731
C      -6.18650   -1.88235    7.13730
C      -5.32248    5.81606    1.84731
C       6.18650    1.88235   -7.13730
C      -0.06079   -1.65562    2.32286
C      -0.80323    2.27808    2.96714
C       0.06079    1.65562   -2.32286
C       0.80323   -2.27808   -2.96714
C       1.65496   -0.46503    0.87237
C      -2.51898    3.46867    4.41763
C      -1.65496    0.46503   -0.87237
C       2.51898   -3.46867   -4.41763
C       1.14801   -1.84803    1.36888
C      -2.01202    2.08567    3.92111
C      -1.14801    1.84803   -1.36888
C       2.01202   -2.08567   -3.92111
C       2.31046   -2.62921    2.04878
C      -3.17448    1.30449    3.24122
C      -2.31046    2.62921   -2.04878
C       3.17448   -1.30449   -3.24122
C       5.12712   -3.84487   -0.23978
C      -5.99114    0.08884    5.52978
C      -5.12712    3.84487    0.23978
C       5.99114   -0.08884   -5.52978
C       4.40592   -3.09042    0.69431
C      -5.26993    0.84328    4.59568
C      -4.40592    3.09042   -0.69431
C       5.26993   -0.84328   -4.59568
C       4.55893   -4.99262   -0.82465
C      -5.42294   -1.05891    6.11464
C      -4.55893    4.99262    0.82465
C       5.42294    1.05891   -6.11464
C       3.25325   -5.36053   -0.45953
C      -4.11727   -1.42683    5.74953
C      -3.25325    5.36053    0.45953
C       4.11727    1.42683   -5.74953
C       3.10115   -3.46931    1.06753
C      -3.96517    0.46439    4.22247
C      -3.10115    3.46931   -1.06753
C       3.96517   -0.46439   -4.22247
C       2.53013   -4.60833    0.47506
C      -3.39414   -0.67462    4.81493
C      -2.53013    4.60833   -0.47506
C       3.39414    0.67462   -4.81493
H       6.76927   -8.61107   -0.73555
H      -7.63328   -4.67736    6.02554
H      -6.76927    8.61107    0.73555
H       7.63328    4.67736   -6.02554
H       6.68477   -4.22183   -2.48187
H      -7.54879   -0.28812    7.77186
H      -6.68477    4.22183    2.48187
H       7.54879    0.28812   -7.77186
H       6.47599   -5.52447   -3.67151
H      -7.34000   -1.59076    8.96150
H      -6.47599    5.52447    3.67151
H       7.34000    1.59076   -8.96150
H       5.18743   -4.32673   -3.43197
H      -6.05145   -0.39302    8.72196
H      -5.18743    4.32673    3.43197
H       6.05145    0.39302   -8.72196
H       4.72901   -6.69607   -2.10769
H      -5.59303   -2.76236    7.39768
H      -4.72901    6.69607    2.10769
H       5.59303    2.76236   -7.39768
H      -0.83480   -1.06969    1.82403
H      -0.02922    2.86401    3.46596
H       0.83480    1.06969   -1.82403
H       0.02922   -2.86401   -3.46596
H      -0.48365   -2.62200    2.59326
H      -0.38036    1.31170    2.69674
H       0.48365    2.62200   -2.59326
H       0.38036   -1.31170   -2.69674
H       0.25083   -1.13397    3.22643
H      -1.11485    2.79972    2.06356
H      -0.25083    1.13397   -3.22643
H       1.11485   -2.79972   -2.06356
H       2.48219   -0.60608    0.17079
H      -3.34621    3.32763    5.11920
H      -2.48219    0.60608   -0.17079
H       3.34621   -3.32763   -5.11920
H       0.85088    0.06390    0.36097
H      -1.71490    3.99760    4.92902
H      -0.85088   -0.06390   -0.36097
H       1.71490   -3.99760   -4.92902
H       1.99894    0.13483    1.70867
H      -2.86296    4.06853    3.58132
H      -1.99894   -0.13483   -1.70867
H       2.86296   -4.06853   -3.58132
H       1.56471   -1.21896    0.57742
H      -2.42873    2.71475    4.71257
H      -1.56471    1.21896   -0.57742
H       2.42873   -2.71475   -4.71257
H       1.48954   -3.22106    2.45690
H      -2.35356    0.71264    2.83309
H      -1.48954    3.22106   -2.45690
H       2.35356   -0.71264   -2.83309
H       2.97345   -2.36075    2.88002
H      -3.83747    1.57295    2.40997
H      -2.97345    2.36075   -2.88002
H       3.83747   -1.57295   -2.40997
H       6.09747   -3.53909   -0.50338
H      -6.96148    0.39461    5.79338
H      -6.09747    3.53909    0.50338
H       6.96148   -0.39461   -5.79338
H       4.84430   -2.23423    1.11704
H      -5.70832    1.69947    4.17296
H      -4.84430    2.23423   -1.11704
H       5.70832   -1.69947   -4.17296
H       2.80336   -6.20879   -0.89085
H      -3.66737   -2.27509    6.18084
H      -2.80336    6.20879    0.89085
H       3.66737    2.27509   -6.18084
H       1.55403   -4.89943    0.72858
H      -2.41805   -0.96573    4.56142
H      -1.55403    4.89943   -0.72858
H       2.41805    0.96573   -4.56142
O       7.36286   -6.22545   -0.66566
O      -8.22688   -2.29175    5.95565
O      -7.36286    6.22545    0.66566
O       8.22688    2.29175   -5.95565
O       6.14502   -8.03346   -1.13680
O      -7.00904   -4.09975    6.42679
O      -6.14502    8.03346    1.13680
O       7.00904    4.09975   -6.42679
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.34256   -6.69721   -1.16251
C      -7.20657   -2.76350    6.45251
C      -6.34256    6.69721    1.16251
C       7.20657    2.76350   -6.45251
C       5.96366   -4.90751   -2.92931
C      -6.82768   -0.97380    8.21931
C      -5.96366    4.90751    2.92931
C       6.82768    0.97380   -8.21931
C       5.32248   -5.81606   -1.84731
C      -6.18650   -1.88235    7.13730
C      -5.32248    5.81606    1.84731
C       6.18650    1.88235   -7.13730
C      -0.06079   -1.65562    2.32286
C      -0.80323    2.27808    2.96714
C       0.06079    1.65562   -2.32286
C       0.80323   -2.27808   -2.96714
C       1.65496   -0.46503    0.87237
C      -2.51898    3.46867    4.41763
C      -1.65496    0.46503   -0.87237
C       2.51898   -3.46867   -4.41763
C       1.14801   -1.84803    1.36888
C      -2.01202    2.08567    3.92111
C      -1.14801    1.84803   -1.36888
C       2.01202   -2.08567   -3.92111
C       2.31046   -2.62921    2.04878
C      -3.17448    1.30449    3.24122
C      -2.31046    2.62921   -2.04878
C       3.17448   -1.30449   -3.24122
C       5.12712   -3.84487   -0.23978
C      -5.99114    0.08884    5.52978
C      -5.12712    3.84487    0.23978
C       5.99114   -0.08884   -5.52978
C       4.40592   -3.09042    0.69431
C      -5.26993    0.84328    4.59568
C      -4.40592    3.09042   -0.69431
C       5.26993   -0.84328   -4.59568
C       4.55893   -4.99262   -0.82465
C      -5.42294   -1.05891    6.11464
C      -4.55893    4.99262    0.82465
C       5.42294    1.05891   -6.11464
C       3.25325   -5.36053   -0.45953
C      -4.11727   -1.42683    5.74953
C      -3.25325    5.36053    0.45953
C       4.11727    1.42683   -5.74953
C       3.10115   -3.46931    1.06753
C      -3.96517    0.46439    4.22247
C      -3.10115    3.46931   -1.06753
C       3.96517   -0.46439   -4.22247
C       2.53013   -4.60833    0.47506
C      -3.39414   -0.67462    4.81493
C      -2.53013    4.60833   -0.47506
C       3.39414    0.67462   -4.81493
H       6.76690   -8.61070   -0.73160
H      -7.63092   -4.67700    6.02160
H      -6.76690    8.61070    0.73160
H       7.63092    4.67700   -6.02160
H       6.68477   -4.22183   -2.48187
H      -7.54879   -0.28812    7.77186
H      -6.68477    4.22183    2.48187
H       7.54879    0.28812   -7.77186
H       6.47599   -5.52447   -3.67151
H      -7.34000   -1.59076    8.96150
H      -6.47599    5.52447    3.67151
H       7.34000    1.59076   -8.96150
H       5.18743   -4.32673   -3.43197
H      -6.05145   -0.39302    8.72196
H      -5.18743    4.32673    3.43197
H       6.05145    0.39302   -8.72196
H       4.72901   -6.69607   -2.10769
H      -5.59303   -2.76236    7.39768
H      -4.72901    6.69607    2.10769
H       5.59303    2.76236   -7.39768
H      -0.83480   -1.06969    1.82403
H      -0.02922    2.86401    3.46596
H       0.83480    1.06969   -1.82403
H       0.02922   -2.86401   -3.46596
H      -0.48365   -2.62200    2.59326
H      -0.38036    1.31170    2.69674
H       0.48365    2.62200   -2.59326
H       0.38036   -1.31170   -2.69674
H       0.25083   -1.13397    3.22643
H      -1.11485    2.79972    2.06356
H      -0.25083    1.13397   -3.22643
H       1.11485   -2.79972   -2.06356
H       2.48219   -0.60608    0.17079
H      -3.34621    3.32763    5.11920
H      -2.48219    0.60608   -0.17079
H       3.34621   -3.32763   -5.11920
H       0.85088    0.06390    0.36097
H      -1.71490    3.99760    4.92902
H      -0.85088   -0.06390   -0.36097
H       1.71490   -3.99760   -4.92902
H       1.99894    0.13483    1.70867
H      -2.86296    4.06853    3.58132
H      -1.99894   -0.13483   -1.70867
H       2.86296   -4.06853   -3.58132
H       1.56471   -1.21896    0.57742
H      -2.42873    2.71475    4.71257
H      -1.56471    1.21896   -0.57742
H       2.42873   -2.71475   -4.71257
H       1.48954   -3.22106    2.45690
H      -2.35356    0.71264    2.83309
H      -1.48954    3.22106   -2.45690
H       2.35356   -0.71264   -2.83309
H       2.97345   -2.36075    2.88002
H      -3.83747    1.57295    2.40997
H      -2.97345    2.36075   -2.88002
H       3.83747   -1.57295   -2.40997
H       6.09747   -3.53909   -0.50338
H      -6.96148    0.39461    5.79338
H      -6.09747    3.53909    0.50338
H       6.96148   -0.39461   -5.79338
H       4.84430   -2.23423    1.11704
H      -5.70832    1.69947    4.17296
H      -4.84430    2.23423   -1.11704
H       5.70832   -1.69947   -4.17296
H       2.80336   -6.20879   -0.89085
H      -3.66737   -2.27509    6.18084
H      -2.80336    6.20879    0.89085
H       3.66737    2.27509   -6.18084
H       1.55403   -4.89943    0.72858
H      -2.41805   -0.96573    4.56142
H      -1.55403    4.89943   -0.72858
H       2.41805    0.96573   -4.56142
O       7.36473   -6.22594   -0.66911
O      -8.22874   -2.29223    5.95911
O      -7.36473    6.22594    0.66911
O       8.22874    2.29223   -5.95911
O       6.14276   -8.03305   -1.13295
O      -7.00678   -4.09934    6.42295
O      -6.14276    8.03305    1.13295
O       7.00678    4.09934   -6.42295
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.31346   -6.72765   -1.15969
C      -7.17748   -2.79395    6.44969
C      -6.31346    6.72765    1.15969
C       7.17748    2.79395   -6.44969
C       5.99916   -4.90470   -2.90504
C      -6.86318   -0.97099    8.19504
C      -5.99916    4.90470    2.90504
C       6.86318    0.97099   -8.19504
C       5.32248   -5.81606   -1.84731
C      -6.18650   -1.88235    7.13730
C      -5.32248    5.81606    1.84731
C       6.18650    1.88235   -7.13730
C      -0.06079   -1.65562    2.32286
C      -0.80323    2.27808    2.96714
C       0.06079    1.65562   -2.32286
C       0.80323   -2.27808   -2.96714
C       1.65496   -0.46503    0.87237
C      -2.51898    3.46867    4.41763
C      -1.65496    0.46503   -0.87237
C       2.51898   -3.46867   -4.41763
C       1.14801   -1.84803    1.36888
C      -2.01202    2.08567    3.92111
C      -1.14801    1.84803   -1.36888
C       2.01202   -2.08567   -3.92111
C       2.31046   -2.62921    2.04878
C      -3.17448    1.30449    3.24122
C      -2.31046    2.62921   -2.04878
C       3.17448   -1.30449   -3.24122
C       5.12712   -3.84487   -0.23978
C      -5.99114    0.08884    5.52978
C      -5.12712    3.84487    0.23978
C       5.99114   -0.08884   -5.52978
C       4.40592   -3.09042    0.69431
C      -5.26993    0.84328    4.59568
C      -4.40592    3.09042   -0.69431
C       5.26993   -0.84328   -4.59568
C       4.55893   -4.99262   -0.82465
C      -5.42294   -1.05891    6.11464
C      -4.55893    4.99262    0.82465
C       5.42294    1.05891   -6.11464
C       3.25325   -5.36053   -0.45953
C      -4.11727   -1.42683    5.74953
C      -3.25325    5.36053    0.45953
C       4.11727    1.42683   -5.74953
C       3.10115   -3.46931    1.06753
C      -3.96517    0.46439    4.22247
C      -3.10115    3.46931   -1.06753
C       3.96517   -0.46439   -4.22247
C       2.53013   -4.60833    0.47506
C      -3.39414   -0.67462    4.81493
C      -2.53013    4.60833   -0.47506
C       3.39414    0.67462   -4.81493
H       6.69250   -8.65549   -0.75106
H      -7.55651   -4.72179    6.04105
H      -6.69250    8.65549    0.75106
H       7.55651    4.72179   -6.04105
H       6.72641   -4.24042   -2.43579
H      -7.59042   -0.30671    7.72578
H      -6.72641    4.24042    2.43579
H       7.59042    0.30671   -7.72578
H       6.51112   -5.52081   -3.64820
H      -7.37513   -1.58710    8.93820
H      -6.51112    5.52081    3.64820
H       7.37513    1.58710   -8.93820
H       5.24296   -4.30100   -3.41120
H      -6.10698   -0.36729    8.70120
H      -5.24296    4.30100    3.41120
H       6.10698    0.36729   -8.70120
H       4.72901   -6.69607   -2.10769
H      -5.59303   -2.76236    7.39768
H      -4.72901    6.69607    2.10769
H       5.59303    2.76236   -7.39768
H      -0.83480   -1.06969    1.82403
H      -0.02922    2.86401    3.46596
H       0.83480    1.06969   -1.82403
H       0.02922   -2.86401   -3.46596
H      -0.48365   -2.62200    2.59326
H      -0.38036    1.31170    2.69674
H       0.48365    2.62200   -2.59326
H       0.38036   -1.31170   -2.69674
H       0.25083   -1.13397    3.22643
H      -1.11485    2.79972    2.06356
H      -0.25083    1.13397   -3.22643
H       1.11485   -2.79972   -2.06356
H       2.48219   -0.60608    0.17079
H      -3.34621    3.32763    5.11920
H      -2.48219    0.60608   -0.17079
H       3.34621   -3.32763   -5.11920
H       0.85088    0.06390    0.36097
H      -1.71490    3.99760    4.92902
H      -0.85088   -0.06390   -0.36097
H       1.71490   -3.99760   -4.92902
H       1.99894    0.13483    1.70867
H      -2.86296    4.06853    3.58132
H      -1.99894   -0.13483   -1.70867
H       2.86296   -4.06853   -3.58132
H       1.56471   -1.21896    0.57742
H      -2.42873    2.71475    4.71257
H      -1.56471    1.21896   -0.57742
H       2.42873   -2.71475   -4.71257
H       1.48954   -3.22106    2.45690
H      -2.35356    0.71264    2.83309
H      -1.48954    3.22106   -2.45690
H       2.35356   -0.71264   -2.83309
H       2.97345   -2.36075    2.88002
H      -3.83747    1.57295    2.40997
H      -2.97345    2.36075   -2.88002
H       3.83747   -1.57295   -2.40997
H       6.09747   -3.53909   -0.50338
H      -6.96148    0.39461    5.79338
H      -6.09747    3.53909    0.50338
H       6.96148   -0.39461   -5.79338
H       4.84430   -2.23423    1.11704
H      -5.70832    1.69947    4.17296
H      -4.84430    2.23423   -1.11704
H       5.70832   -1.69947   -4.17296
H       2.80336   -6.20879   -0.89085
H      -3.66737   -2.27509    6.18084
H      -2.80336    6.20879    0.89085
H       3.66737    2.27509   -6.18084
H       1.55403   -4.89943    0.72858
H      -2.41805   -0.96573    4.56142
H      -1.55403    4.89943   -0.72858
H       2.41805    0.96573   -4.56142
O       7.33664   -6.28446   -0.64293
O      -8.20066   -2.35075    5.93292
O      -7.33664    6.28446    0.64293
O       8.20066    2.35075   -5.93292
O       6.08662   -8.05948   -1.15356
O      -6.95064   -4.12578    6.44355
O      -6.08662    8.05948    1.15356
O       6.95064    4.12578   -6.44355
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.31346   -6.72765   -1.15969
C      -7.17748   -2.79395    6.44969
C      -6.31346    6.72765    1.15969
C       7.17748    2.79395   -6.44969
C       5.99916   -4.90470   -2.90504
C      -6.86318   -0.97099    8.19504
C      -5.99916    4.90470    2.90504
C       6.86318    0.97099   -8.19504
C       5.32248   -5.81606   -1.84731
C      -6.18650   -1.88235    7.13730
C      -5.32248    5.81606    1.84731
C       6.18650    1.88235   -7.13730
C      -0.05717   -1.64759    2.32583
C      -0.80684    2.28611    2.96416
C       0.05717    1.64759   -2.32583
C       0.80684   -2.28611   -2.96416
C       1.65720   -0.46889    0.86404
C      -2.52122    3.46481    4.42595
C      -1.65720    0.46889   -0.86404
C       2.52122   -3.46481   -4.42595
C       1.14801   -1.84803    1.36888
C      -2.01202    2.08567    3.92111
C      -1.14801    1.84803   -1.36888
C       2.01202   -2.08567   -3.92111
C       2.31046   -2.62921    2.04878
C      -3.17448    1.30449    3.24122
C      -2.31046    2.62921   -2.04878
C       3.17448   -1.30449   -3.24122
C       5.12712   -3.84487   -0.23978
C      -5.99114    0.08884    5.52978
C      -5.12712    3.84487    0.23978
C       5.99114   -0.08884   -5.52978
C       4.40592   -3.09042    0.69431
C      -5.26993    0.84328    4.59568
C      -4.40592    3.09042   -0.69431
C       5.26993   -0.84328   -4.59568
C       4.55893   -4.99262   -0.82465
C      -5.42294   -1.05891    6.11464
C      -4.55893    4.99262    0.82465
C       5.42294    1.05891   -6.11464
C       3.25325   -5.36053   -0.45953
C      -4.11727   -1.42683    5.74953
C      -3.25325    5.36053    0.45953
C       4.11727    1.42683   -5.74953
C       3.10115   -3.46931    1.06753
C      -3.96517    0.46439    4.22247
C      -3.10115    3.46931   -1.06753
C       3.96517   -0.46439   -4.22247
C       2.53013   -4.60833    0.47506
C      -3.39414   -0.67462    4.81493
C      -2.53013    4.60833   -0.47506
C       3.39414    0.67462   -4.81493
H       6.69250   -8.65549   -0.75106
H      -7.55651   -4.72179    6.04105
H      -6.69250    8.65549    0.75106
H       7.55651    4.72179   -6.04105
H       6.72641   -4.24042   -2.43579
H      -7.59042   -0.30671    7.72578
H      -6.72641    4.24042    2.43579
H       7.59042    0.30671   -7.72578
H       6.51112   -5.52081   -3.64820
H      -7.37513   -1.58710    8.93820
H      -6.51112    5.52081    3.64820
H       7.37513    1.58710   -8.93820
H       5.24296   -4.30100   -3.41120
H      -6.10698   -0.36729    8.70120
H      -5.24296    4.30100    3.41120
H       6.10698    0.36729   -8.70120
H       4.72901   -6.69607   -2.10769
H      -5.59303   -2.76236    7.39768
H      -4.72901    6.69607    2.10769
H       5.59303    2.76236   -7.39768
H      -0.83115   -1.06188    1.82669
H      -0.03287    2.87182    3.46331
H       0.83115    1.06188   -1.82669
H       0.03287   -2.87182   -3.46331
H      -0.48188   -2.61145    2.60227
H      -0.38214    1.32225    2.68772
H       0.48188    2.61145   -2.60227
H       0.38214   -1.32225   -2.68772
H       0.25885   -1.12247    3.22586
H      -1.12287    2.81123    2.06414
H      -0.25885    1.12247   -3.22586
H       1.12287   -2.81123   -2.06414
H       2.48174   -0.61566    0.16048
H      -3.34576    3.31804    5.12951
H      -2.48174    0.61566   -0.16048
H       3.34576   -3.31804   -5.12951
H       0.85296    0.05985    0.35270
H      -1.71697    3.99355    4.93729
H      -0.85296   -0.05985   -0.35270
H       1.71697   -3.99355   -4.93729
H       2.00559    0.13403    1.69632
H      -2.86960    4.06773    3.59368
H      -2.00559   -0.13403   -1.69632
H       2.86960   -4.06773   -3.59368
H       1.56471   -1.21896    0.57742
H      -2.42873    2.71475    4.71257
H      -1.56471    1.21896   -0.57742
H       2.42873   -2.71475   -4.71257
H       1.48954   -3.22106    2.45690
H      -2.35356    0.71264    2.83309
H      -1.48954    3.22106   -2.45690
H       2.35356   -0.71264   -2.83309
H       2.97345   -2.36075    2.88002
H      -3.83747    1.57295    2.40997
H      -2.97345    2.36075   -2.88002
H       3.83747   -1.57295   -2.40997
H       6.09747   -3.53909   -0.50338
H      -6.96148    0.39461    5.79338
H      -6.09747    3.53909    0.50338
H       6.96148   -0.39461   -5.79338
H       4.84430   -2.23423    1.11704
H      -5.70832    1.69947    4.17296
H      -4.84430    2.23423   -1.11704
H       5.70832   -1.69947   -4.17296
H       2.80336   -6.20879   -0.89085
H      -3.66737   -2.27509    6.18084
H      -2.80336    6.20879    0.89085
H       3.66737    2.27509   -6.18084
H       1.55403   -4.89943    0.72858
H      -2.41805   -0.96573    4.56142
H      -1.55403    4.89943   -0.72858
H       2.41805    0.96573   -4.56142
O       7.33664   -6.28446   -0.64293
O      -8.20066   -2.35075    5.93292
O      -7.33664    6.28446    0.64293
O       8.20066    2.35075   -5.93292
O       6.08662   -8.05948   -1.15356
O      -6.95064   -4.12578    6.44355
O      -6.08662    8.05948    1.15356
O       6.95064    4.12578   -6.44355
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.11130   -1.72937    2.31314
C      -0.75272    2.20432    2.97685
C       0.11130    1.72937   -2.31314
C       0.75272   -2.20432   -2.97685
C       1.58032   -0.51162    0.85686
C      -2.44434    3.42208    4.43313
C      -1.58032    0.51162   -0.85686
C       2.44434   -3.42208   -4.43313
C       1.10147   -1.90207    1.36038
C      -1.96549    2.03163    3.92962
C      -1.10147    1.90207   -1.36038
C       1.96549   -2.03163   -3.92962
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.80929   -8.57982   -0.73857
H      -7.67331   -4.64611    6.02856
H      -6.80929    8.57982    0.73857
H       7.67331    4.64611   -6.02856
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.89691   -1.16185    1.81118
H       0.03289    2.77185    3.47881
H       0.89691    1.16185   -1.81118
H      -0.03289   -2.77185   -3.47881
H      -0.51452   -2.70275    2.58842
H      -0.34950    1.23095    2.70157
H       0.51452    2.70275   -2.58842
H       0.34950   -1.23095   -2.70157
H       0.18940   -1.19688    3.21408
H      -1.05342    2.73682    2.07591
H      -0.18940    1.19688   -3.21408
H       1.05342   -2.73682   -2.07591
H       2.41045   -0.63942    0.15617
H      -3.27447    3.29428    5.13382
H      -2.41045    0.63942   -0.15617
H       3.27447   -3.29428   -5.13382
H       0.76581   -0.00176    0.34262
H      -1.62983    3.93194    4.94737
H      -0.76581    0.00176   -0.34262
H       1.62983   -3.93194   -4.94737
H       1.91181    0.09938    1.69014
H      -2.77582    4.03308    3.59985
H      -1.91181   -0.09938   -1.69014
H       2.77582   -4.03308   -3.59985
H       1.50621   -1.26370    0.57015
H      -2.37022    2.67001    4.71984
H      -1.50621    1.26370   -0.57015
H       2.37022   -2.67001   -4.71984
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.39800   -6.19448   -0.62895
O      -8.26202   -2.26078    5.91894
O      -7.39800    6.19448    0.62895
O       8.26202    2.26078   -5.91894
O       6.19116   -7.99808   -1.14331
O      -7.05518   -4.06437    6.43330
O      -6.19116    7.99808    1.14331
O       7.05518    4.06437   -6.43330
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.03767   -1.57088    2.36096
C      -0.82635    2.36282    2.92904
C       0.03767    1.57088   -2.36096
C       0.82635   -2.36282   -2.92904
C       1.61945   -0.59496    0.69759
C      -2.48347    3.33874    4.59240
C      -1.61945    0.59496   -0.69759
C       2.48347   -3.33874   -4.59240
C       1.10147   -1.90207    1.36038
C      -1.96549    2.03163    3.92962
C      -1.10147    1.90207   -1.36038
C       1.96549   -2.03163   -3.92962
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.80929   -8.57982   -0.73857
H      -7.67331   -4.64611    6.02856
H      -6.80929    8.57982    0.73857
H       7.67331    4.64611   -6.02856
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.82280   -1.00802    1.85303
H      -0.04122    2.92568    3.43697
H       0.82280    1.00802   -1.85303
H       0.04122   -2.92568   -3.43697
H      -0.47298   -2.48918    2.75219
H      -0.39103    1.44452    2.53780
H       0.47298    2.48918   -2.75219
H       0.39103   -1.44452   -2.53780
H       0.34710   -0.97493    3.18707
H      -1.21112    2.95876    2.10292
H      -0.34710    0.97493   -3.18707
H       1.21112   -2.95876   -2.10292
H       2.39556   -0.83572   -0.03459
H      -3.25958    3.09799    5.32459
H      -2.39556    0.83572    0.03459
H       3.25958   -3.09799   -5.32459
H       0.80172   -0.08888    0.18472
H      -1.66574    3.84483    5.10527
H      -0.80172    0.08888   -0.18472
H       1.66574   -3.84483   -5.10527
H       2.03471    0.07091    1.44708
H      -2.89873    4.00461    3.84291
H      -2.03471   -0.07091   -1.44708
H       2.89873   -4.00461   -3.84291
H       1.50621   -1.26370    0.57015
H      -2.37022    2.67001    4.71984
H      -1.50621    1.26370   -0.57015
H       2.37022   -2.67001   -4.71984
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.39800   -6.19448   -0.62895
O      -8.26202   -2.26078    5.91894
O      -7.39800    6.19448    0.62895
O       8.26202    2.26078   -5.91894
O       6.19116   -7.99808   -1.14331
O      -7.05518   -4.06437    6.43330
O      -6.19116    7.99808    1.14331
O       7.05518    4.06437   -6.43330
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.03767   -1.57088    2.36096
C      -0.82635    2.36282    2.92904
C       0.03767    1.57088   -2.36096
C       0.82635   -2.36282   -2.92904
C       1.61945   -0.59496    0.69759
C      -2.48347    3.33874    4.59240
C      -1.61945    0.59496   -0.69759
C       2.48347   -3.33874   -4.59240
C       1.10147   -1.90207    1.36038
C      -1.96549    2.03163    3.92962
C      -1.10147    1.90207   -1.36038
C       1.96549   -2.03163   -3.92962
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.82203   -8.58123   -0.75903
H      -7.68604   -4.64753    6.04903
H      -6.82203    8.58123    0.75903
H       7.68604    4.64753   -6.04903
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.82280   -1.00802    1.85303
H      -0.04122    2.92568    3.43697
H       0.82280    1.00802   -1.85303
H       0.04122   -2.92568   -3.43697
H      -0.47298   -2.48918    2.75219
H      -0.39103    1.44452    2.53780
H       0.47298    2.48918   -2.75219
H       0.39103   -1.44452   -2.53780
H       0.34710   -0.97493    3.18707
H      -1.21112    2.95876    2.10292
H      -0.34710    0.97493   -3.18707
H       1.21112   -2.95876   -2.10292
H       2.39556   -0.83572   -0.03459
H      -3.25958    3.09799    5.32459
H      -2.39556    0.83572    0.03459
H       3.25958   -3.09799   -5.32459
H       0.80172   -0.08888    0.18472
H      -1.66574    3.84483    5.10527
H      -0.80172    0.08888   -0.18472
H       1.66574   -3.84483   -5.10527
H       2.03471    0.07091    1.44708
H      -2.89873    4.00461    3.84291
H      -2.03471   -0.07091   -1.44708
H       2.89873   -4.00461   -3.84291
H       1.50621   -1.26370    0.57015
H      -2.37022    2.67001    4.71984
H      -1.50621    1.26370   -0.57015
H       2.37022   -2.67001   -4.71984
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.38754   -6.19236   -0.61099
O      -8.25155   -2.25866    5.90099
O      -7.38754    6.19236    0.61099
O       8.25155    2.25866   -5.90099
O       6.20334   -7.99975   -1.16328
O      -7.06735   -4.06604    6.45327
O      -6.20334    7.99975    1.16328
O       7.06735    4.06604   -6.45327
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.02781   -1.54658    2.34877
C      -0.83620    2.38712    2.94123
C       0.02781    1.54658   -2.34877
C       0.83620   -2.38712   -2.94123
C       1.65724   -0.57419    0.71160
C      -2.52126    3.35951    4.57839
C      -1.65724    0.57419   -0.71160
C       2.52126   -3.35951   -4.57839
C       1.11729   -1.88147    1.35627
C      -1.98131    2.05222    3.93373
C      -1.11729    1.88147   -1.35627
C       1.98131   -2.05222   -3.93373
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.82203   -8.58123   -0.75903
H      -7.68604   -4.64753    6.04903
H      -6.82203    8.58123    0.75903
H       7.68604    4.64753   -6.04903
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.80113   -0.96948    1.83870
H      -0.06288    2.96422    3.45130
H       0.80113    0.96948   -1.83870
H       0.06288   -2.96422   -3.45130
H      -0.47781   -2.46341    2.72657
H      -0.38621    1.47028    2.56342
H       0.47781    2.46341   -2.72657
H       0.38621   -1.47028   -2.56342
H       0.35567   -0.96334    3.18450
H      -1.21969    2.97035    2.10549
H      -0.35567    0.96334   -3.18450
H       1.21969   -2.97035   -2.10549
H       2.43775   -0.81698   -0.01523
H      -3.30177    3.11672    5.30522
H      -2.43775    0.81698    0.01523
H       3.30177   -3.11672   -5.30522
H       0.85070   -0.05344    0.19571
H      -1.71472    3.88026    5.09429
H      -0.85070    0.05344   -0.19571
H       1.71472   -3.88026   -5.09429
H       2.07280    0.07934    1.47171
H      -2.93682    4.01304    3.81829
H      -2.07280   -0.07934   -1.47171
H       2.93682   -4.01304   -3.81829
H       1.53741   -1.24026    0.57644
H      -2.40143    2.69345    4.71356
H      -1.53741    1.24026   -0.57644
H       2.40143   -2.69345   -4.71356
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.38754   -6.19236   -0.61099
O      -8.25155   -2.25866    5.90099
O      -7.38754    6.19236    0.61099
O       8.25155    2.25866   -5.90099
O       6.20334   -7.99975   -1.16328
O      -7.06735   -4.06604    6.45327
O      -6.20334    7.99975    1.16328
O       7.06735    4.06604   -6.45327
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.03127   -1.55323    2.34705
C      -0.83275    2.38047    2.94295
C       0.03127    1.55323   -2.34705
C       0.83275   -2.38047   -2.94295
C       1.65582   -0.57036    0.71825
C      -2.51984    3.36334    4.57175
C      -1.65582    0.57036   -0.71825
C       2.51984   -3.36334   -4.57175
C       1.11729   -1.88147    1.35627
C      -1.98131    2.05222    3.93373
C      -1.11729    1.88147   -1.35627
C       1.98131   -2.05222   -3.93373
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.82203   -8.58123   -0.75903
H      -7.68604   -4.64753    6.04903
H      -6.82203    8.58123    0.75903
H       7.68604    4.64753   -6.04903
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.80460   -0.97593    1.83722
H      -0.05942    2.95777    3.45277
H       0.80460    0.97593   -1.83722
H       0.05942   -2.95777   -3.45277
H      -0.48010   -2.47262    2.72000
H      -0.38392    1.46107    2.56999
H       0.48010    2.47262   -2.72000
H       0.38392   -1.46107   -2.56999
H       0.34862   -0.97243    3.18611
H      -1.21263    2.96126    2.10389
H      -0.34862    0.97243   -3.18611
H       1.21263   -2.96126   -2.10389
H       2.43882   -0.80842   -0.00746
H      -3.30284    3.12528    5.29746
H      -2.43882    0.80842    0.00746
H       3.30284   -3.12528   -5.29746
H       0.84942   -0.04946    0.20229
H      -1.71344    3.88424    5.08771
H      -0.84942    0.04946   -0.20229
H       1.71344   -3.88424   -5.08771
H       2.06782    0.08111    1.48205
H      -2.93183    4.01481    3.80794
H      -2.06782   -0.08111   -1.48205
H       2.93183   -4.01481   -3.80794
H       1.53741   -1.24026    0.57644
H      -2.40143    2.69345    4.71356
H      -1.53741    1.24026   -0.57644
H       2.40143   -2.69345   -4.71356
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.38754   -6.19236   -0.61099
O      -8.25155   -2.25866    5.90099
O      -7.38754    6.19236    0.61099
O       8.25155    2.25866   -5.90099
O       6.20334   -7.99975   -1.16328
O      -7.06735   -4.06604    6.45327
O      -6.20334    7.99975    1.16328
O       7.06735    4.06604   -6.45327
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04104   -1.57242    2.34188
C      -0.82297    2.36127    2.94812
C       0.04104    1.57242   -2.34188
C       0.82297   -2.36127   -2.94812
C       1.65164   -0.55950    0.73747
C      -2.51565    3.37420    4.55252
C      -1.65164    0.55950   -0.73747
C       2.51565   -3.37420   -4.55252
C       1.11729   -1.88147    1.35627
C      -1.98131    2.05222    3.93373
C      -1.11729    1.88147   -1.35627
C       1.98131   -2.05222   -3.93373
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.82203   -8.58123   -0.75903
H      -7.68604   -4.64753    6.04903
H      -6.82203    8.58123    0.75903
H       7.68604    4.64753   -6.04903
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81440   -0.99453    1.83277
H      -0.04962    2.93917    3.45723
H       0.81440    0.99453   -1.83277
H       0.04962   -2.93917   -3.45723
H      -0.48639   -2.49905    2.70081
H      -0.37762    1.43464    2.58918
H       0.48639    2.49905   -2.70081
H       0.37762   -1.43464   -2.58918
H       0.32846   -0.99877    3.19044
H      -1.19248    2.93493    2.09956
H      -0.32846    0.99877   -3.19044
H       1.19248   -2.93493   -2.09956
H       2.44175   -0.78389    0.01513
H      -3.30577    3.14982    5.27487
H      -2.44175    0.78389   -0.01513
H       3.30577   -3.14982   -5.27487
H       0.84564   -0.03815    0.22133
H      -1.70966    3.89555    5.06867
H      -0.84564    0.03815   -0.22133
H       1.70966   -3.89555   -5.06867
H       2.05333    0.08591    1.51184
H      -2.91735    4.01961    3.77815
H      -2.05333   -0.08591   -1.51184
H       2.91735   -4.01961   -3.77815
H       1.53741   -1.24026    0.57644
H      -2.40143    2.69345    4.71356
H      -1.53741    1.24026   -0.57644
H       2.40143   -2.69345   -4.71356
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.38754   -6.19236   -0.61099
O      -8.25155   -2.25866    5.90099
O      -7.38754    6.19236    0.61099
O       8.25155    2.25866   -5.90099
O       6.20334   -7.99975   -1.16328
O      -7.06735   -4.06604    6.45327
O      -6.20334    7.99975    1.16328
O       7.06735    4.06604   -6.45327
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.38713   -6.66136   -1.14907
C      -7.25115   -2.72765    6.43907
C      -6.38713    6.66136    1.14907
C       7.25115    2.72765   -6.43907
C       6.03669   -4.84656   -2.89603
C      -6.90071   -0.91285    8.18603
C      -6.03669    4.84656    2.89603
C       6.90071    0.91285   -8.18603
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04104   -1.57242    2.34188
C      -0.82297    2.36127    2.94812
C       0.04104    1.57242   -2.34188
C       0.82297   -2.36127   -2.94812
C       1.65164   -0.55950    0.73747
C      -2.51565    3.37420    4.55252
C      -1.65164    0.55950   -0.73747
C       2.51565   -3.37420   -4.55252
C       1.11729   -1.88147    1.35627
C      -1.98131    2.05222    3.93373
C      -1.11729    1.88147   -1.35627
C       1.98131   -2.05222   -3.93373
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.83239   -8.58209   -0.77532
H      -7.69641   -4.64838    6.06532
H      -6.83239    8.58209    0.77532
H       7.69641    4.64838   -6.06532
H       6.74675   -4.16551   -2.42450
H      -7.61077   -0.23181    7.71449
H      -6.74675    4.16551    2.42450
H       7.61077    0.23181   -7.71449
H       6.56532   -5.45082   -3.63725
H      -7.42933   -1.51711    8.92725
H      -6.56532    5.45082    3.63725
H       7.42933    1.51711   -8.92725
H       5.26845   -4.26064   -3.40496
H      -6.13247   -0.32693    8.69495
H      -5.26845    4.26064    3.40496
H       6.13247    0.32693   -8.69495
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81440   -0.99453    1.83277
H      -0.04962    2.93917    3.45723
H       0.81440    0.99453   -1.83277
H       0.04962   -2.93917   -3.45723
H      -0.48639   -2.49905    2.70081
H      -0.37762    1.43464    2.58918
H       0.48639    2.49905   -2.70081
H       0.37762   -1.43464   -2.58918
H       0.32846   -0.99877    3.19044
H      -1.19248    2.93493    2.09956
H      -0.32846    0.99877   -3.19044
H       1.19248   -2.93493   -2.09956
H       2.44175   -0.78389    0.01513
H      -3.30577    3.14982    5.27487
H      -2.44175    0.78389   -0.01513
H       3.30577   -3.14982   -5.27487
H       0.84564   -0.03815    0.22133
H      -1.70966    3.89555    5.06867
H      -0.84564    0.03815   -0.22133
H       1.70966   -3.89555   -5.06867
H       2.05333    0.08591    1.51184
H      -2.91735    4.01961    3.77815
H      -2.05333   -0.08591   -1.51184
H       2.91735   -4.01961   -3.77815
H       1.53741   -1.24026    0.57644
H      -2.40143    2.69345    4.71356
H      -1.53741    1.24026   -0.57644
H       2.40143   -2.69345   -4.71356
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.37898   -6.19091   -0.59669
O      -8.24300   -2.25720    5.88668
O      -7.37898    6.19091    0.59669
O       8.24300    2.25720   -5.88668
O       6.21325   -8.00082   -1.17918
O      -7.07727   -4.06711    6.46917
O      -6.21325    8.00082    1.17918
O       7.07727    4.06711   -6.46917
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.35992   -6.69003   -1.14736
C      -7.22394   -2.75633    6.43736
C      -6.35992    6.69003    1.14736
C       7.22394    2.75633   -6.43736
C       6.06953   -4.84414   -2.87262
C      -6.93354   -0.91043    8.16262
C      -6.06953    4.84414    2.87262
C       6.93354    0.91043   -8.16262
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04104   -1.57242    2.34188
C      -0.82297    2.36127    2.94812
C       0.04104    1.57242   -2.34188
C       0.82297   -2.36127   -2.94812
C       1.65164   -0.55950    0.73747
C      -2.51565    3.37420    4.55252
C      -1.65164    0.55950   -0.73747
C       2.51565   -3.37420   -4.55252
C       1.11729   -1.88147    1.35627
C      -1.98131    2.05222    3.93373
C      -1.11729    1.88147   -1.35627
C       1.98131   -2.05222   -3.93373
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.76367   -8.62396   -0.79517
H      -7.62768   -4.69026    6.08517
H      -6.76367    8.62396    0.79517
H       7.62768    4.69026   -6.08517
H       6.78503   -4.18342   -2.38083
H      -7.64904   -0.24971    7.67083
H      -6.78503    4.18342    2.38083
H       7.64904    0.24971   -7.67083
H       6.59781   -5.44759   -3.61474
H      -7.46183   -1.51388    8.90473
H      -6.59781    5.44759    3.61474
H       7.46183    1.51388   -8.90473
H       5.32003   -4.23662   -3.38416
H      -6.18405   -0.30291    8.67416
H      -5.32003    4.23662    3.38416
H       6.18405    0.30291   -8.67416
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81440   -0.99453    1.83277
H      -0.04962    2.93917    3.45723
H       0.81440    0.99453   -1.83277
H       0.04962   -2.93917   -3.45723
H      -0.48639   -2.49905    2.70081
H      -0.37762    1.43464    2.58918
H       0.48639    2.49905   -2.70081
H       0.37762   -1.43464   -2.58918
H       0.32846   -0.99877    3.19044
H      -1.19248    2.93493    2.09956
H      -0.32846    0.99877   -3.19044
H       1.19248   -2.93493   -2.09956
H       2.44175   -0.78389    0.01513
H      -3.30577    3.14982    5.27487
H      -2.44175    0.78389   -0.01513
H       3.30577   -3.14982   -5.27487
H       0.84564   -0.03815    0.22133
H      -1.70966    3.89555    5.06867
H      -0.84564    0.03815   -0.22133
H       1.70966   -3.89555   -5.06867
H       2.05333    0.08591    1.51184
H      -2.91735    4.01961    3.77815
H      -2.05333   -0.08591   -1.51184
H       2.91735   -4.01961   -3.77815
H       1.53741   -1.24026    0.57644
H      -2.40143    2.69345    4.71356
H      -1.53741    1.24026   -0.57644
H       2.40143   -2.69345   -4.71356
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.35200   -6.24631   -0.57368
O      -8.21602   -2.31261    5.86367
O      -7.35200    6.24631    0.57368
O       8.21602    2.31261   -5.86367
O       6.16157   -8.02540   -1.19955
O      -7.02559   -4.09170    6.48954
O      -6.16157    8.02540    1.19955
O       7.02559    4.09170   -6.48954
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.35992   -6.69003   -1.14736
C      -7.22394   -2.75633    6.43736
C      -6.35992    6.69003    1.14736
C       7.22394    2.75633   -6.43736
C       6.06953   -4.84414   -2.87262
C      -6.93354   -0.91043    8.16262
C      -6.06953    4.84414    2.87262
C       6.93354    0.91043   -8.16262
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04104   -1.57242    2.34188
C      -0.82297    2.36127    2.94812
C       0.04104    1.57242   -2.34188
C       0.82297   -2.36127   -2.94812
C       1.65164   -0.55950    0.73747
C      -2.51565    3.37420    4.55252
C      -1.65164    0.55950   -0.73747
C       2.51565   -3.37420   -4.55252
C       1.11729   -1.88147    1.35627
C      -1.98131    2.05222    3.93373
C      -1.11729    1.88147   -1.35627
C       1.98131   -2.05222   -3.93373
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.76644   -8.62414   -0.79938
H      -7.63046   -4.69043    6.08938
H      -6.76644    8.62414    0.79938
H       7.63046    4.69043   -6.08938
H       6.78503   -4.18342   -2.38083
H      -7.64904   -0.24971    7.67083
H      -6.78503    4.18342    2.38083
H       7.64904    0.24971   -7.67083
H       6.59781   -5.44759   -3.61474
H      -7.46183   -1.51388    8.90473
H      -6.59781    5.44759    3.61474
H       7.46183    1.51388   -8.90473
H       5.32003   -4.23662   -3.38416
H      -6.18405   -0.30291    8.67416
H      -5.32003    4.23662    3.38416
H       6.18405    0.30291   -8.67416
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81440   -0.99453    1.83277
H      -0.04962    2.93917    3.45723
H       0.81440    0.99453   -1.83277
H       0.04962   -2.93917   -3.45723
H      -0.48639   -2.49905    2.70081
H      -0.37762    1.43464    2.58918
H       0.48639    2.49905   -2.70081
H       0.37762   -1.43464   -2.58918
H       0.32846   -0.99877    3.19044
H      -1.19248    2.93493    2.09956
H      -0.32846    0.99877   -3.19044
H       1.19248   -2.93493   -2.09956
H       2.44175   -0.78389    0.01513
H      -3.30577    3.14982    5.27487
H      -2.44175    0.78389   -0.01513
H       3.30577   -3.14982   -5.27487
H       0.84564   -0.03815    0.22133
H      -1.70966    3.89555    5.06867
H      -0.84564    0.03815   -0.22133
H       1.70966   -3.89555   -5.06867
H       2.05333    0.08591    1.51184
H      -2.91735    4.01961    3.77815
H      -2.05333   -0.08591   -1.51184
H       2.91735   -4.01961   -3.77815
H       1.53741   -1.24026    0.57644
H      -2.40143    2.69345    4.71356
H      -1.53741    1.24026   -0.57644
H       2.40143   -2.69345   -4.71356
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.34966   -6.24598   -0.56997
O      -8.21368   -2.31227    5.85996
O      -7.34966    6.24598    0.56997
O       8.21368    2.31227   -5.85996
O       6.16423   -8.02563   -1.20366
O      -7.02824   -4.09192    6.49366
O      -6.16423    8.02563    1.20366
O       7.02824    4.09192   -6.49366
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.35992   -6.69003   -1.14736
C      -7.22394   -2.75633    6.43736
C      -6.35992    6.69003    1.14736
C       7.22394    2.75633   -6.43736
C       6.06953   -4.84414   -2.87262
C      -6.93354   -0.91043    8.16262
C      -6.06953    4.84414    2.87262
C       6.93354    0.91043   -8.16262
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04052   -1.57102    2.34117
C      -0.82349    2.36267    2.94882
C       0.04052    1.57102   -2.34117
C       0.82349   -2.36267   -2.94882
C       1.65375   -0.55834    0.73829
C      -2.51777    3.37536    4.55170
C      -1.65375    0.55834   -0.73829
C       2.51777   -3.37536   -4.55170
C       1.11817   -1.88030    1.35605
C      -1.98218    2.05340    3.93395
C      -1.11817    1.88030   -1.35605
C       1.98218   -2.05340   -3.93395
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.76644   -8.62414   -0.79938
H      -7.63046   -4.69043    6.08938
H      -6.76644    8.62414    0.79938
H       7.63046    4.69043   -6.08938
H       6.78503   -4.18342   -2.38083
H      -7.64904   -0.24971    7.67083
H      -6.78503    4.18342    2.38083
H       7.64904    0.24971   -7.67083
H       6.59781   -5.44759   -3.61474
H      -7.46183   -1.51388    8.90473
H      -6.59781    5.44759    3.61474
H       7.46183    1.51388   -8.90473
H       5.32003   -4.23662   -3.38416
H      -6.18405   -0.30291    8.67416
H      -5.32003    4.23662    3.38416
H       6.18405    0.30291   -8.67416
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81320   -0.99232    1.83195
H      -0.05082    2.94138    3.45805
H       0.81320    0.99232   -1.83195
H       0.05082   -2.94138   -3.45805
H      -0.48670   -2.49755    2.69933
H      -0.37732    1.43614    2.59066
H       0.48670    2.49755   -2.69933
H       0.37732   -1.43614   -2.59066
H       0.32888   -0.99809    3.19026
H      -1.19290    2.93560    2.09973
H      -0.32888    0.99809   -3.19026
H       1.19290   -2.93560   -2.09973
H       2.44413   -0.78286    0.01627
H      -3.30815    3.15084    5.27372
H      -2.44413    0.78286   -0.01627
H       3.30815   -3.15084   -5.27372
H       0.84841   -0.03616    0.22199
H      -1.71243    3.89754    5.06801
H      -0.84841    0.03616   -0.22199
H       1.71243   -3.89754   -5.06801
H       2.05545    0.08636    1.51325
H      -2.91946    4.02006    3.77674
H      -2.05545   -0.08636   -1.51325
H       2.91946   -4.02006   -3.77674
H       1.53916   -1.23893    0.57681
H      -2.40318    2.69477    4.71318
H      -1.53916    1.23893   -0.57681
H       2.40318   -2.69477   -4.71318
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.34966   -6.24598   -0.56997
O      -8.21368   -2.31227    5.85996
O      -7.34966    6.24598    0.56997
O       8.21368    2.31227   -5.85996
O       6.16423   -8.02563   -1.20366
O      -7.02824   -4.09192    6.49366
O      -6.16423    8.02563    1.20366
O       7.02824    4.09192   -6.49366
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.35992   -6.69003   -1.14736
C      -7.22394   -2.75633    6.43736
C      -6.35992    6.69003    1.14736
C       7.22394    2.75633   -6.43736
C       6.06953   -4.84414   -2.87262
C      -6.93354   -0.91043    8.16262
C      -6.06953    4.84414    2.87262
C       6.93354    0.91043   -8.16262
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04052   -1.57102    2.34117
C      -0.82349    2.36267    2.94882
C       0.04052    1.57102   -2.34117
C       0.82349   -2.36267   -2.94882
C       1.65375   -0.55834    0.73829
C      -2.51777    3.37536    4.55170
C      -1.65375    0.55834   -0.73829
C       2.51777   -3.37536   -4.55170
C       1.11817   -1.88030    1.35605
C      -1.98218    2.05340    3.93395
C      -1.11817    1.88030   -1.35605
C       1.98218   -2.05340   -3.93395
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.77183   -8.62442   -0.80746
H      -7.63585   -4.69072    6.09745
H      -6.77183    8.62442    0.80746
H       7.63585    4.69072   -6.09745
H       6.78503   -4.18342   -2.38083
H      -7.64904   -0.24971    7.67083
H      -6.78503    4.18342    2.38083
H       7.64904    0.24971   -7.67083
H       6.59781   -5.44759   -3.61474
H      -7.46183   -1.51388    8.90473
H      -6.59781    5.44759    3.61474
H       7.46183    1.51388   -8.90473
H       5.32003   -4.23662   -3.38416
H      -6.18405   -0.30291    8.67416
H      -5.32003    4.23662    3.38416
H       6.18405    0.30291   -8.67416
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81320   -0.99232    1.83195
H      -0.05082    2.94138    3.45805
H       0.81320    0.99232   -1.83195
H       0.05082   -2.94138   -3.45805
H      -0.48670   -2.49755    2.69933
H      -0.37732    1.43614    2.59066
H       0.48670    2.49755   -2.69933
H       0.37732   -1.43614   -2.59066
H       0.32888   -0.99809    3.19026
H      -1.19290    2.93560    2.09973
H      -0.32888    0.99809   -3.19026
H       1.19290   -2.93560   -2.09973
H       2.44413   -0.78286    0.01627
H      -3.30815    3.15084    5.27372
H      -2.44413    0.78286   -0.01627
H       3.30815   -3.15084   -5.27372
H       0.84841   -0.03616    0.22199
H      -1.71243    3.89754    5.06801
H      -0.84841    0.03616   -0.22199
H       1.71243   -3.89754   -5.06801
H       2.05545    0.08636    1.51325
H      -2.91946    4.02006    3.77674
H      -2.05545   -0.08636   -1.51325
H       2.91946   -4.02006   -3.77674
H       1.53916   -1.23893    0.57681
H      -2.40318    2.69477    4.71318
H      -1.53916    1.23893   -0.57681
H       2.40318   -2.69477   -4.71318
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.34517   -6.24538   -0.56286
O      -8.20919   -2.31167    5.85285
O      -7.34517    6.24538    0.56286
O       8.20919    2.31167   -5.85285
O       6.16939   -8.02602   -1.21155
O      -7.03340   -4.09232    6.50154
O      -6.16939    8.02602    1.21155
O       7.03340    4.09232   -6.50154
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.35992   -6.69003   -1.14736
C      -7.22394   -2.75633    6.43736
C      -6.35992    6.69003    1.14736
C       7.22394    2.75633   -6.43736
C       6.06953   -4.84414   -2.87262
C      -6.93354   -0.91043    8.16262
C      -6.06953    4.84414    2.87262
C       6.93354    0.91043   -8.16262
C       5.37768   -5.77311   -1.84034
C      -6.24169   -1.83940    7.13034
C      -5.37768    5.77311    1.84034
C       6.24169    1.83940   -7.13034
C      -0.04052   -1.57102    2.34117
C      -0.82349    2.36267    2.94882
C       0.04052    1.57102   -2.34117
C       0.82349   -2.36267   -2.94882
C       1.65375   -0.55834    0.73829
C      -2.51777    3.37536    4.55170
C      -1.65375    0.55834   -0.73829
C       2.51777   -3.37536   -4.55170
C       1.11817   -1.88030    1.35605
C      -1.98218    2.05340    3.93395
C      -1.11817    1.88030   -1.35605
C       1.98218   -2.05340   -3.93395
C       2.27936   -2.65598    2.04447
C      -3.14338    1.27772    3.24552
C      -2.27936    2.65598   -2.04447
C       3.14338   -1.27772   -3.24552
C       5.13123   -3.80661   -0.23409
C      -5.99525    0.12709    5.52408
C      -5.13123    3.80661    0.23409
C       5.99525   -0.12709   -5.52408
C       4.38956   -3.06885    0.69731
C      -5.25357    0.86485    4.59268
C      -4.38956    3.06885   -0.69731
C       5.25357   -0.86485   -4.59268
C       4.59176   -4.96733   -0.82054
C      -5.45578   -1.03363    6.11054
C      -4.59176    4.96733    0.82054
C       5.45578    1.03363   -6.11054
C       3.29372   -5.36530   -0.45978
C      -4.15773   -1.43160    5.74977
C      -3.29372    5.36530    0.45978
C       4.15773    1.43160   -5.74977
C       3.09264   -3.47776    1.06618
C      -3.95666    0.45594    4.22381
C      -3.09264    3.47776   -1.06618
C       3.95666   -0.45594   -4.22381
C       2.55017   -4.62983    0.47211
C      -3.41419   -0.69613    4.81788
C      -2.55017    4.62983   -0.47211
C       3.41419    0.69613   -4.81788
H       6.77370   -8.62451   -0.81027
H      -7.63772   -4.69080    6.10026
H      -6.77370    8.62451    0.81027
H       7.63772    4.69080   -6.10026
H       6.78503   -4.18342   -2.38083
H      -7.64904   -0.24971    7.67083
H      -6.78503    4.18342    2.38083
H       7.64904    0.24971   -7.67083
H       6.59781   -5.44759   -3.61474
H      -7.46183   -1.51388    8.90473
H      -6.59781    5.44759    3.61474
H       7.46183    1.51388   -8.90473
H       5.32003   -4.23662   -3.38416
H      -6.18405   -0.30291    8.67416
H      -5.32003    4.23662    3.38416
H       6.18405    0.30291   -8.67416
H       4.80563   -6.66668   -2.10248
H      -5.66965   -2.73297    7.39247
H      -4.80563    6.66668    2.10248
H       5.66965    2.73297   -7.39247
H      -0.81320   -0.99232    1.83195
H      -0.05082    2.94138    3.45805
H       0.81320    0.99232   -1.83195
H       0.05082   -2.94138   -3.45805
H      -0.48670   -2.49755    2.69933
H      -0.37732    1.43614    2.59066
H       0.48670    2.49755   -2.69933
H       0.37732   -1.43614   -2.59066
H       0.32888   -0.99809    3.19026
H      -1.19290    2.93560    2.09973
H      -0.32888    0.99809   -3.19026
H       1.19290   -2.93560   -2.09973
H       2.44413   -0.78286    0.01627
H      -3.30815    3.15084    5.27372
H      -2.44413    0.78286   -0.01627
H       3.30815   -3.15084   -5.27372
H       0.84841   -0.03616    0.22199
H      -1.71243    3.89754    5.06801
H      -0.84841    0.03616   -0.22199
H       1.71243   -3.89754   -5.06801
H       2.05545    0.08636    1.51325
H      -2.91946    4.02006    3.77674
H      -2.05545   -0.08636   -1.51325
H       2.91946   -4.02006   -3.77674
H       1.53916   -1.23893    0.57681
H      -2.40318    2.69477    4.71318
H      -1.53916    1.23893   -0.57681
H       2.40318   -2.69477   -4.71318
H       1.47097   -3.26659    2.44997
H      -2.33499    0.66711    2.84003
H      -1.47097    3.26659   -2.44997
H       2.33499   -0.66711   -2.84003
H       2.93311   -2.37206    2.87790
H      -3.79713    1.56164    2.41210
H      -2.93311    2.37206   -2.87790
H       3.79713   -1.56164   -2.41210
H       6.09513   -3.47851   -0.49446
H      -6.95915    0.45519    5.78446
H      -6.09513    3.47851    0.49446
H       6.95915   -0.45519   -5.78446
H       4.80655   -2.20265    1.12128
H      -5.67057    1.73105    4.16872
H      -4.80655    2.20265   -1.12128
H       5.67057   -1.73105   -4.16872
H       2.86506   -6.22384   -0.89237
H      -3.72907   -2.29014    6.18237
H      -2.86506    6.22384    0.89237
H       3.72907    2.29014   -6.18237
H       1.58021   -4.94340    0.72238
H      -2.44423   -1.00970    4.56761
H      -1.58021    4.94340   -0.72238
H       2.44423    1.00970   -4.56761
O       7.34358   -6.24518   -0.56038
O      -8.20759   -2.31147    5.85038
O      -7.34358    6.24518    0.56038
O       8.20759    2.31147   -5.85038
O       6.17117   -8.02614   -1.21429
O      -7.03519   -4.09244    6.50428
O      -6.17117    8.02614    1.21429
O       7.03519    4.09244   -6.50428
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.08577   -1.40011    2.36873
C      -0.94979    2.53359    2.92126
C      -0.08577    1.40011   -2.36873
C       0.94979   -2.53359   -2.92126
C       1.80524   -0.47440    0.74030
C      -2.66926    3.45930    4.54970
C      -1.80524    0.47440   -0.74030
C       2.66926   -3.45930   -4.54970
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       6.53551   -8.77331   -0.81773
H      -7.39953   -4.83961    6.10772
H      -6.53551    8.77331    0.81773
H       7.39953    4.83961   -6.10772
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.66581   -0.78976    1.86491
H      -0.19821    3.14394    3.42509
H       0.66581    0.78976   -1.86491
H       0.19821   -3.14394   -3.42509
H      -0.39772   -2.30340    2.73767
H      -0.46630    1.63030    2.55233
H       0.39772    2.30340   -2.73767
H       0.46630   -1.63030   -2.55233
H       0.49075   -0.83981    3.21000
H      -1.35477    3.09388    2.08000
H      -0.49075    0.83981   -3.21000
H       1.35477   -3.09388   -2.08000
H       2.57607   -0.73861    0.01061
H      -3.44009    3.19509    5.27938
H      -2.57607    0.73861   -0.01061
H       3.44009   -3.19509   -5.27938
H       1.01839    0.08093    0.23011
H      -1.88240    4.01463    5.05989
H      -1.01839   -0.08093   -0.23011
H       1.88240   -4.01463   -5.05989
H       2.24486    0.15571    1.50662
H      -3.10888    4.08941    3.78337
H      -2.24486   -0.15571   -1.50662
H       3.10888   -4.08941   -3.78337
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       7.21561   -6.42096   -0.58898
O      -8.07963   -2.48726    5.87897
O      -7.21561    6.42096    0.58898
O       8.07963    2.48726   -5.87897
O       5.95603   -8.15047   -1.21845
O      -6.82005   -4.21676    6.50844
O      -5.95603    8.15047    1.21845
O       6.82005    4.21676   -6.50844
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.08577   -1.40011    2.36873
C      -0.94979    2.53359    2.92126
C      -0.08577    1.40011   -2.36873
C       0.94979   -2.53359   -2.92126
C       1.80524   -0.47440    0.74030
C      -2.66926    3.45930    4.54970
C      -1.80524    0.47440   -0.74030
C       2.66926   -3.45930   -4.54970
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       6.34047   -8.68723   -0.42897
H      -7.20449   -4.75353    5.71896
H      -6.34047    8.68723    0.42897
H       7.20449    4.75353   -5.71896
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.66581   -0.78976    1.86491
H      -0.19821    3.14394    3.42509
H       0.66581    0.78976   -1.86491
H       0.19821   -3.14394   -3.42509
H      -0.39772   -2.30340    2.73767
H      -0.46630    1.63030    2.55233
H       0.39772    2.30340   -2.73767
H       0.46630   -1.63030   -2.55233
H       0.49075   -0.83981    3.21000
H      -1.35477    3.09388    2.08000
H      -0.49075    0.83981   -3.21000
H       1.35477   -3.09388   -2.08000
H       2.57607   -0.73861    0.01061
H      -3.44009    3.19509    5.27938
H      -2.57607    0.73861   -0.01061
H       3.44009   -3.19509   -5.27938
H       1.01839    0.08093    0.23011
H      -1.88240    4.01463    5.05989
H      -1.01839   -0.08093   -0.23011
H       1.88240   -4.01463   -5.05989
H       2.24486    0.15571    1.50662
H      -3.10888    4.08941    3.78337
H      -2.24486   -0.15571   -1.50662
H       3.10888   -4.08941   -3.78337
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       7.37072   -6.51041   -0.92745
O      -8.23473   -2.57671    6.21745
O      -7.37072    6.51041    0.92745
O       8.23473    2.57671   -6.21745
O       5.77096   -8.06189   -0.83995
O      -6.63497   -4.12818    6.12995
O      -5.77096    8.06189    0.83995
O       6.63497    4.12818   -6.12995
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07784   -1.41419    2.36482
C      -0.94185    2.51951    2.92517
C      -0.07784    1.41419   -2.36482
C       0.94185   -2.51951   -2.92517
C       1.80248   -0.46619    0.75478
C      -2.66650    3.46751    4.53522
C      -1.80248    0.46619   -0.75478
C       2.66650   -3.46751   -4.53522
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       6.34047   -8.68723   -0.42897
H      -7.20449   -4.75353    5.71896
H      -6.34047    8.68723    0.42897
H       7.20449    4.75353   -5.71896
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67374   -0.80340    1.86153
H      -0.19028    3.13030    3.42846
H       0.67374    0.80340   -1.86153
H       0.19028   -3.13030   -3.42846
H      -0.40331   -2.32297    2.72319
H      -0.46071    1.61073    2.56680
H       0.40331    2.32297   -2.72319
H       0.46071   -1.61073   -2.56680
H       0.47484   -0.85897    3.21322
H      -1.33886    3.07473    2.07677
H      -0.47484    0.85897   -3.21322
H       1.33886   -3.07473   -2.07677
H       2.57907   -0.72038    0.02764
H      -3.44309    3.21332    5.26235
H      -2.57907    0.72038   -0.02764
H       3.44309   -3.21332   -5.26235
H       1.01594    0.08946    0.24445
H      -1.87996    4.02316    5.04554
H      -1.01594   -0.08946   -0.24445
H       1.87996   -4.02316   -5.04554
H       2.23422    0.15965    1.52904
H      -3.09824    4.09334    3.76095
H      -2.23422   -0.15965   -1.52904
H       3.09824   -4.09334   -3.76095
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       7.37072   -6.51041   -0.92745
O      -8.23473   -2.57671    6.21745
O      -7.37072    6.51041    0.92745
O       8.23473    2.57671   -6.21745
O       5.77096   -8.06189   -0.83995
O      -6.63497   -4.12818    6.12995
O      -5.77096    8.06189    0.83995
O       6.63497    4.12818   -6.12995
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07784   -1.41419    2.36482
C      -0.94185    2.51951    2.92517
C      -0.07784    1.41419   -2.36482
C       0.94185   -2.51951   -2.92517
C       1.80248   -0.46619    0.75478
C      -2.66650    3.46751    4.53522
C      -1.80248    0.46619   -0.75478
C       2.66650   -3.46751   -4.53522
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       6.33609   -8.68259   -0.41652
H      -7.20011   -4.74889    5.70651
H      -6.33609    8.68259    0.41652
H       7.20011    4.74889   -5.70651
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67374   -0.80340    1.86153
H      -0.19028    3.13030    3.42846
H       0.67374    0.80340   -1.86153
H       0.19028   -3.13030   -3.42846
H      -0.40331   -2.32297    2.72319
H      -0.46071    1.61073    2.56680
H       0.40331    2.32297   -2.72319
H       0.46071   -1.61073   -2.56680
H       0.47484   -0.85897    3.21322
H      -1.33886    3.07473    2.07677
H      -0.47484    0.85897   -3.21322
H       1.33886   -3.07473   -2.07677
H       2.57907   -0.72038    0.02764
H      -3.44309    3.21332    5.26235
H      -2.57907    0.72038   -0.02764
H       3.44309   -3.21332   -5.26235
H       1.01594    0.08946    0.24445
H      -1.87996    4.02316    5.04554
H      -1.01594   -0.08946   -0.24445
H       1.87996   -4.02316   -5.04554
H       2.23422    0.15965    1.52904
H      -3.09824    4.09334    3.76095
H      -2.23422   -0.15965   -1.52904
H       3.09824   -4.09334   -3.76095
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       7.37398   -6.51486   -0.93818
O      -8.23799   -2.58115    6.22818
O      -7.37398    6.51486    0.93818
O       8.23799    2.58115   -6.22818
O       5.76685   -8.05724   -0.82786
O      -6.63087   -4.12354    6.11786
O      -5.76685    8.05724    0.82786
O       6.63087    4.12354   -6.11786
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07784   -1.41419    2.36482
C      -0.94185    2.51951    2.92517
C      -0.07784    1.41419   -2.36482
C       0.94185   -2.51951   -2.92517
C       1.80248   -0.46619    0.75478
C      -2.66650    3.46751    4.53522
C      -1.80248    0.46619   -0.75478
C       2.66650   -3.46751   -4.53522
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.02763   -6.94386   -0.32880
H      -8.89165   -3.01016    5.61880
H      -8.02763    6.94386    0.32880
H       8.89165    3.01016   -5.61880
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67374   -0.80340    1.86153
H      -0.19028    3.13030    3.42846
H       0.67374    0.80340   -1.86153
H       0.19028   -3.13030   -3.42846
H      -0.40331   -2.32297    2.72319
H      -0.46071    1.61073    2.56680
H       0.40331    2.32297   -2.72319
H       0.46071   -1.61073   -2.56680
H       0.47484   -0.85897    3.21322
H      -1.33886    3.07473    2.07677
H      -0.47484    0.85897   -3.21322
H       1.33886   -3.07473   -2.07677
H       2.57907   -0.72038    0.02764
H      -3.44309    3.21332    5.26235
H      -2.57907    0.72038   -0.02764
H       3.44309   -3.21332   -5.26235
H       1.01594    0.08946    0.24445
H      -1.87996    4.02316    5.04554
H      -1.01594   -0.08946   -0.24445
H       1.87996   -4.02316   -5.04554
H       2.23422    0.15965    1.52904
H      -3.09824    4.09334    3.76095
H      -2.23422   -0.15965   -1.52904
H       3.09824   -4.09334   -3.76095
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.87645   -7.98170   -0.91506
O      -6.74046   -4.04800    6.20505
O      -5.87645    7.98170    0.91506
O       6.74046    4.04800   -6.20505
O       7.42191   -6.37984   -0.77521
O      -8.28593   -2.44614    6.06520
O      -7.42191    6.37984    0.77521
O       8.28593    2.44614   -6.06520
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07784   -1.41419    2.36482
C      -0.94185    2.51951    2.92517
C      -0.07784    1.41419   -2.36482
C       0.94185   -2.51951   -2.92517
C       1.80248   -0.46619    0.75478
C      -2.66650    3.46751    4.53522
C      -1.80248    0.46619   -0.75478
C       2.66650   -3.46751   -4.53522
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.08775   -6.99798   -0.48709
H      -8.95176   -3.06427    5.77709
H      -8.08775    6.99798    0.48709
H       8.95176    3.06427   -5.77709
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67374   -0.80340    1.86153
H      -0.19028    3.13030    3.42846
H       0.67374    0.80340   -1.86153
H       0.19028   -3.13030   -3.42846
H      -0.40331   -2.32297    2.72319
H      -0.46071    1.61073    2.56680
H       0.40331    2.32297   -2.72319
H       0.46071   -1.61073   -2.56680
H       0.47484   -0.85897    3.21322
H      -1.33886    3.07473    2.07677
H      -0.47484    0.85897   -3.21322
H       1.33886   -3.07473   -2.07677
H       2.57907   -0.72038    0.02764
H      -3.44309    3.21332    5.26235
H      -2.57907    0.72038   -0.02764
H       3.44309   -3.21332   -5.26235
H       1.01594    0.08946    0.24445
H      -1.87996    4.02316    5.04554
H      -1.01594   -0.08946   -0.24445
H       1.87996   -4.02316   -5.04554
H       2.23422    0.15965    1.52904
H      -3.09824    4.09334    3.76095
H      -2.23422   -0.15965   -1.52904
H       3.09824   -4.09334   -3.76095
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.83024   -7.92924   -0.77835
O      -6.69426   -3.99553    6.06835
O      -5.83024    7.92924    0.77835
O       6.69426    3.99553   -6.06835
O       7.47840   -6.43429   -0.92895
O      -8.34241   -2.50058    6.21895
O      -7.47840    6.43429    0.92895
O       8.34241    2.50058   -6.21895
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07784   -1.41419    2.36482
C      -0.94185    2.51951    2.92517
C      -0.07784    1.41419   -2.36482
C       0.94185   -2.51951   -2.92517
C       1.80248   -0.46619    0.75478
C      -2.66650    3.46751    4.53522
C      -1.80248    0.46619   -0.75478
C       2.66650   -3.46751   -4.53522
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.07162   -6.97983   -0.43965
H      -8.93564   -3.04613    5.72964
H      -8.07162    6.97983    0.43965
H       8.93564    3.04613   -5.72964
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67374   -0.80340    1.86153
H      -0.19028    3.13030    3.42846
H       0.67374    0.80340   -1.86153
H       0.19028   -3.13030   -3.42846
H      -0.40331   -2.32297    2.72319
H      -0.46071    1.61073    2.56680
H       0.40331    2.32297   -2.72319
H       0.46071   -1.61073   -2.56680
H       0.47484   -0.85897    3.21322
H      -1.33886    3.07473    2.07677
H      -0.47484    0.85897   -3.21322
H       1.33886   -3.07473   -2.07677
H       2.57907   -0.72038    0.02764
H      -3.44309    3.21332    5.26235
H      -2.57907    0.72038   -0.02764
H       3.44309   -3.21332   -5.26235
H       1.01594    0.08946    0.24445
H      -1.87996    4.02316    5.04554
H      -1.01594   -0.08946   -0.24445
H       1.87996   -4.02316   -5.04554
H       2.23422    0.15965    1.52904
H      -3.09824    4.09334    3.76095
H      -2.23422   -0.15965   -1.52904
H       3.09824   -4.09334   -3.76095
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.84233   -7.94658   -0.81922
O      -6.70635   -4.01287    6.10921
O      -5.84233    7.94658    0.81922
O       6.70635    4.01287   -6.10921
O       7.46331   -6.41611   -0.88291
O      -8.32733   -2.48241    6.17290
O      -7.46331    6.41611    0.88291
O       8.32733    2.48241   -6.17290
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07784   -1.41419    2.36482
C      -0.94185    2.51951    2.92517
C      -0.07784    1.41419   -2.36482
C       0.94185   -2.51951   -2.92517
C       1.80248   -0.46619    0.75478
C      -2.66650    3.46751    4.53522
C      -1.80248    0.46619   -0.75478
C       2.66650   -3.46751   -4.53522
C       1.21756   -1.76719    1.37225
C      -2.08158    2.16651    3.91775
C      -1.21756    1.76719   -1.37225
C       2.08158   -2.16651   -3.91775
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.07024   -6.97847   -0.43589
H      -8.93426   -3.04476    5.72589
H      -8.07024    6.97847    0.43589
H       8.93426    3.04476   -5.72589
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67374   -0.80340    1.86153
H      -0.19028    3.13030    3.42846
H       0.67374    0.80340   -1.86153
H       0.19028   -3.13030   -3.42846
H      -0.40331   -2.32297    2.72319
H      -0.46071    1.61073    2.56680
H       0.40331    2.32297   -2.72319
H       0.46071   -1.61073   -2.56680
H       0.47484   -0.85897    3.21322
H      -1.33886    3.07473    2.07677
H      -0.47484    0.85897   -3.21322
H       1.33886   -3.07473   -2.07677
H       2.57907   -0.72038    0.02764
H      -3.44309    3.21332    5.26235
H      -2.57907    0.72038   -0.02764
H       3.44309   -3.21332   -5.26235
H       1.01594    0.08946    0.24445
H      -1.87996    4.02316    5.04554
H      -1.01594   -0.08946   -0.24445
H       1.87996   -4.02316   -5.04554
H       2.23422    0.15965    1.52904
H      -3.09824    4.09334    3.76095
H      -2.23422   -0.15965   -1.52904
H       3.09824   -4.09334   -3.76095
H       1.65801   -1.14997    0.58431
H      -2.52202    2.78373    4.70568
H      -1.65801    1.14997   -0.58431
H       2.52202   -2.78373   -4.70568
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.84332   -7.94789   -0.82245
O      -6.70734   -4.01418    6.11245
O      -5.84332    7.94789    0.82245
O       6.70734    4.01418   -6.11245
O       7.46202   -6.41474   -0.87926
O      -8.32604   -2.48104    6.16926
O      -7.46202    6.41474    0.87926
O       8.32604    2.48104   -6.16926
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.07548   -1.41942    2.36762
C      -0.93949    2.51427    2.92237
C      -0.07548    1.41942   -2.36762
C       0.93949   -2.51427   -2.92237
C       1.79402   -0.47022    0.75177
C      -2.65804    3.46349    4.53822
C      -1.79402    0.47022   -0.75177
C       2.65804   -3.46349   -4.53822
C       1.21386   -1.77149    1.37317
C      -2.07788    2.16221    3.91682
C      -1.21386    1.77149   -1.37317
C       2.07788   -2.16221   -3.91682
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.07024   -6.97847   -0.43589
H      -8.93426   -3.04476    5.72589
H      -8.07024    6.97847    0.43589
H       8.93426    3.04476   -5.72589
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.67881   -0.81159    1.86482
H      -0.18521    3.12211    3.42518
H       0.67881    0.81159   -1.86482
H       0.18521   -3.12211   -3.42518
H      -0.40251   -2.32872    2.72890
H      -0.46151    1.60498    2.56109
H       0.40251    2.32872   -2.72890
H       0.46151   -1.60498   -2.56109
H       0.47296   -0.86148    3.21401
H      -1.33698    3.07222    2.07599
H      -0.47296    0.86148   -3.21401
H       1.33698   -3.07222   -2.07599
H       2.56962   -0.72387    0.02339
H      -3.43363    3.20984    5.26660
H      -2.56962    0.72387   -0.02339
H       3.43363   -3.20984   -5.26660
H       1.00490    0.08237    0.24212
H      -1.86892    4.01607    5.04787
H      -1.00490   -0.08237   -0.24212
H       1.86892   -4.01607   -5.04787
H       2.22589    0.15828    1.52380
H      -3.08991    4.09198    3.76619
H      -2.22589   -0.15828   -1.52380
H       3.08991   -4.09198   -3.76619
H       1.65093   -1.15471    0.58301
H      -2.51494    2.77899    4.70699
H      -1.65093    1.15471   -0.58301
H       2.51494   -2.77899   -4.70699
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.84332   -7.94789   -0.82245
O      -6.70734   -4.01418    6.11245
O      -5.84332    7.94789    0.82245
O       6.70734    4.01418   -6.11245
O       7.46202   -6.41474   -0.87926
O      -8.32604   -2.48104    6.16926
O      -7.46202    6.41474    0.87926
O       8.32604    2.48104   -6.16926
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.04673   -1.47251    2.35160
C      -0.91074    2.46118    2.93840
C      -0.04673    1.47251   -2.35160
C       0.91074   -2.46118   -2.93840
C       1.78264   -0.44051    0.80662
C      -2.64666    3.49319    4.48337
C      -1.78264    0.44051   -0.80662
C       2.64666   -3.49319   -4.48337
C       1.21386   -1.77149    1.37317
C      -2.07788    2.16221    3.91682
C      -1.21386    1.77149   -1.37317
C       2.07788   -2.16221   -3.91682
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.07024   -6.97847   -0.43589
H      -8.93426   -3.04476    5.72589
H      -8.07024    6.97847    0.43589
H       8.93426    3.04476   -5.72589
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.70762   -0.86305    1.85084
H      -0.15640    3.07065    3.43915
H       0.70762    0.86305   -1.85084
H       0.15640   -3.07065   -3.43915
H      -0.42166   -2.40159    2.67293
H      -0.44236    1.53211    2.61707
H       0.42166    2.40159   -2.67293
H       0.44236   -1.53211   -2.61707
H       0.41419   -0.93457    3.22409
H      -1.27821    2.99912    2.06590
H      -0.41419    0.93457   -3.22409
H       1.27821   -2.99912   -2.06590
H       2.57921   -0.65636    0.08876
H      -3.44322    3.27734    5.20123
H      -2.57921    0.65636   -0.08876
H       3.44322   -3.27734   -5.20123
H       0.99470    0.11331    0.29648
H      -1.85872    4.04701    4.99351
H      -0.99470   -0.11331   -0.29648
H       1.85872   -4.04701   -4.99351
H       2.18480    0.17095    1.60783
H      -3.04881    4.10465    3.68216
H      -2.18480   -0.17095   -1.60783
H       3.04881   -4.10465   -3.68216
H       1.65093   -1.15471    0.58301
H      -2.51494    2.77899    4.70699
H      -1.65093    1.15471   -0.58301
H       2.51494   -2.77899   -4.70699
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.84332   -7.94789   -0.82245
O      -6.70734   -4.01418    6.11245
O      -5.84332    7.94789    0.82245
O       6.70734    4.01418   -6.11245
O       7.46202   -6.41474   -0.87926
O      -8.32604   -2.48104    6.16926
O      -7.46202    6.41474    0.87926
O       8.32604    2.48104   -6.16926
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.05887   -1.44966    2.35878
C      -0.92288    2.48403    2.93122
C      -0.05887    1.44966   -2.35878
C       0.92288   -2.48403   -2.93122
C       1.78770   -0.45305    0.78294
C      -2.65172    3.48065    4.50705
C      -1.78770    0.45305   -0.78294
C       2.65172   -3.48065   -4.50705
C       1.21386   -1.77149    1.37317
C      -2.07788    2.16221    3.91682
C      -1.21386    1.77149   -1.37317
C       2.07788   -2.16221   -3.91682
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.07024   -6.97847   -0.43589
H      -8.93426   -3.04476    5.72589
H      -8.07024    6.97847    0.43589
H       8.93426    3.04476   -5.72589
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.69544   -0.84089    1.85714
H      -0.16858    3.09281    3.43286
H       0.69544    0.84089   -1.85714
H       0.16858   -3.09281   -3.43286
H      -0.41381   -2.37041    2.69735
H      -0.45021    1.56329    2.59265
H       0.41381    2.37041   -2.69735
H       0.45021   -1.56329   -2.59265
H       0.43927   -0.90295    3.22020
H      -1.30329    3.03075    2.06979
H      -0.43927    0.90295   -3.22020
H       1.30329   -3.03075   -2.06979
H       2.57537   -0.68517    0.06035
H      -3.43938    3.24853    5.22965
H      -2.57537    0.68517   -0.06035
H       3.43938   -3.24853   -5.22965
H       0.99926    0.10024    0.27301
H      -1.86327    4.03394    5.01699
H      -0.99926   -0.10024   -0.27301
H       1.86327   -4.03394   -5.01699
H       2.20269    0.16593    1.57175
H      -3.06670    4.09963    3.71825
H      -2.20269   -0.16593   -1.57175
H       3.06670   -4.09963   -3.71825
H       1.65093   -1.15471    0.58301
H      -2.51494    2.77899    4.70699
H      -1.65093    1.15471   -0.58301
H       2.51494   -2.77899   -4.70699
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.84332   -7.94789   -0.82245
O      -6.70734   -4.01418    6.11245
O      -5.84332    7.94789    0.82245
O       6.70734    4.01418   -6.11245
O       7.46202   -6.41474   -0.87926
O      -8.32604   -2.48104    6.16926
O      -7.46202    6.41474    0.87926
O       8.32604    2.48104   -6.16926
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20595   -6.82395   -1.16187
C      -7.06997   -2.89024    6.45186
C      -6.20595    6.82395    1.16187
C       7.06997    2.89024   -6.45186
C       5.97928   -4.97645   -2.89493
C      -6.84330   -1.04274    8.18492
C      -5.97928    4.97645    2.89493
C       6.84330    1.04274   -8.18492
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.05242   -1.46494    2.36723
C      -0.91644    2.46876    2.92277
C      -0.05242    1.46494   -2.36723
C       0.91644   -2.46876   -2.92277
C       1.76348   -0.46469    0.77438
C      -2.62750    3.46901    4.51562
C      -1.76348    0.46469   -0.77438
C       2.62750   -3.46901   -4.51562
C       1.20334   -1.78390    1.37593
C      -2.06736    2.14980    3.91406
C      -1.20334    1.78390   -1.37593
C       2.06736   -2.14980   -3.91406
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.07024   -6.97847   -0.43589
H      -8.93426   -3.04476    5.72589
H      -8.07024    6.97847    0.43589
H       8.93426    3.04476   -5.72589
H       6.72975   -4.34616   -2.41545
H      -7.59377   -0.41245    7.70545
H      -6.72975    4.34616    2.41545
H       7.59377    0.41245   -7.70545
H       6.47089   -5.60740   -3.63937
H      -7.33490   -1.67369    8.92936
H      -6.47089    5.60740    3.63937
H       7.33490    1.67369   -8.92936
H       5.25214   -4.33837   -3.40151
H      -6.11616   -0.40466    8.69151
H      -5.25214    4.33837    3.40151
H       6.11616    0.40466   -8.69151
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.70965   -0.86470    1.86705
H      -0.15436    3.06900    3.42295
H       0.70965    0.86470   -1.86705
H       0.15436   -3.06900   -3.42295
H      -0.41116   -2.38718    2.71418
H      -0.45286    1.54651    2.57581
H       0.41116    2.38718   -2.71418
H       0.45286   -1.54651   -2.57581
H       0.43434   -0.91042    3.22297
H      -1.29836    3.02327    2.06702
H      -0.43434    0.91042   -3.22297
H       1.29836   -3.02327   -2.06702
H       2.54813   -0.69515    0.04798
H      -3.41215    3.23855    5.24202
H      -2.54813    0.69515   -0.04798
H       3.41215   -3.23855   -5.24202
H       0.96762    0.07976    0.26644
H      -1.83164    4.01347    5.02355
H      -0.96762   -0.07976   -0.26644
H       1.83164   -4.01347   -5.02355
H       2.17896    0.16192    1.55686
H      -3.04298    4.09562    3.73313
H      -2.17896   -0.16192   -1.55686
H       3.04298   -4.09562   -3.73313
H       1.63064   -1.16849    0.57938
H      -2.49466    2.76521    4.71061
H      -1.63064    1.16849   -0.57938
H       2.49466   -2.76521   -4.71061
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.84332   -7.94789   -0.82245
O      -6.70734   -4.01418    6.11245
O      -5.84332    7.94789    0.82245
O       6.70734    4.01418   -6.11245
O       7.46202   -6.41474   -0.87926
O      -8.32604   -2.48104    6.16926
O      -7.46202    6.41474    0.87926
O       8.32604    2.48104   -6.16926
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20331   -6.82641   -1.16171
C      -7.06732   -2.89271    6.45170
C      -6.20331    6.82641    1.16171
C       7.06732    2.89271   -6.45170
C       5.98225   -4.97640   -2.89281
C      -6.84627   -1.04269    8.18280
C      -5.98225    4.97640    2.89281
C       6.84627    1.04269   -8.18280
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.05242   -1.46494    2.36723
C      -0.91644    2.46876    2.92277
C      -0.05242    1.46494   -2.36723
C       0.91644   -2.46876   -2.92277
C       1.76348   -0.46469    0.77438
C      -2.62750    3.46901    4.51562
C      -1.76348    0.46469   -0.77438
C       2.62750   -3.46901   -4.51562
C       1.20334   -1.78390    1.37593
C      -2.06736    2.14980    3.91406
C      -1.20334    1.78390   -1.37593
C       2.06736   -2.14980   -3.91406
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.06630   -6.98501   -0.43329
H      -8.93032   -3.05131    5.72329
H      -8.06630    6.98501    0.43329
H       8.93032    3.05131   -5.72329
H       6.73312   -4.34798   -2.41150
H      -7.59714   -0.41428    7.70150
H      -6.73312    4.34798    2.41150
H       7.59714    0.41428   -7.70150
H       6.47383   -5.60727   -3.63733
H      -7.33785   -1.67356    8.92733
H      -6.47383    5.60727    3.63733
H       7.33785    1.67356   -8.92733
H       5.25692   -4.33646   -3.39964
H      -6.12094   -0.40275    8.68963
H      -5.25692    4.33646    3.39964
H       6.12094    0.40275   -8.68963
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.70965   -0.86470    1.86705
H      -0.15436    3.06900    3.42295
H       0.70965    0.86470   -1.86705
H       0.15436   -3.06900   -3.42295
H      -0.41116   -2.38718    2.71418
H      -0.45286    1.54651    2.57581
H       0.41116    2.38718   -2.71418
H       0.45286   -1.54651   -2.57581
H       0.43434   -0.91042    3.22297
H      -1.29836    3.02327    2.06702
H      -0.43434    0.91042   -3.22297
H       1.29836   -3.02327   -2.06702
H       2.54813   -0.69515    0.04798
H      -3.41215    3.23855    5.24202
H      -2.54813    0.69515   -0.04798
H       3.41215   -3.23855   -5.24202
H       0.96762    0.07976    0.26644
H      -1.83164    4.01347    5.02355
H      -0.96762   -0.07976   -0.26644
H       1.83164   -4.01347   -5.02355
H       2.17896    0.16192    1.55686
H      -3.04298    4.09562    3.73313
H      -2.17896   -0.16192   -1.55686
H       3.04298   -4.09562   -3.73313
H       1.63064   -1.16849    0.57938
H      -2.49466    2.76521    4.71061
H      -1.63064    1.16849   -0.57938
H       2.49466   -2.76521   -4.71061
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.83827   -7.95015   -0.82419
O      -6.70229   -4.01644    6.11418
O      -5.83827    7.95015    0.82419
O       6.70229    4.01644   -6.11418
O       7.45967   -6.41970   -0.87683
O      -8.32369   -2.48600    6.16682
O      -7.45967    6.41970    0.87683
O       8.32369    2.48600   -6.16682
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       6.20331   -6.82641   -1.16171
C      -7.06732   -2.89271    6.45170
C      -6.20331    6.82641    1.16171
C       7.06732    2.89271   -6.45170
C       5.98225   -4.97640   -2.89281
C      -6.84627   -1.04269    8.18280
C      -5.98225    4.97640    2.89281
C       6.84627    1.04269   -8.18280
C       5.25821   -5.86725   -1.84909
C      -6.12223   -1.93354    7.13909
C      -5.25821    5.86725    1.84909
C       6.12223    1.93354   -7.13909
C       0.05242   -1.46494    2.36723
C      -0.91644    2.46876    2.92277
C      -0.05242    1.46494   -2.36723
C       0.91644   -2.46876   -2.92277
C       1.76348   -0.46469    0.77438
C      -2.62750    3.46901    4.51562
C      -1.76348    0.46469   -0.77438
C       2.62750   -3.46901   -4.51562
C       1.20334   -1.78390    1.37593
C      -2.06736    2.14980    3.91406
C      -1.20334    1.78390   -1.37593
C       2.06736   -2.14980   -3.91406
C       2.35041   -2.59095    2.05199
C      -3.21443    1.34274    3.23800
C      -2.35041    2.59095   -2.05199
C       3.21443   -1.34274   -3.23800
C       5.12013   -3.88264   -0.25216
C      -5.98415    0.05106    5.54216
C      -5.12013    3.88264    0.25216
C       5.98415   -0.05106   -5.54216
C       4.42370   -3.10677    0.68318
C      -5.28772    0.82693    4.60681
C      -4.42370    3.10677   -0.68318
C       5.28772   -0.82693   -4.60681
C       4.52172   -5.02092   -0.82526
C      -5.38573   -1.08722    6.11525
C      -4.52172    5.02092    0.82526
C       5.38573    1.08722   -6.11525
C       3.21129   -5.35750   -0.44715
C      -4.07531   -1.42380    5.73715
C      -3.21129    5.35750    0.44715
C       4.07531    1.42380   -5.73715
C       3.11401   -3.45428    1.06945
C      -3.97803    0.47942    4.22054
C      -3.11401    3.45428   -1.06945
C       3.97803   -0.47942   -4.22054
C       2.51289   -4.58382    0.48872
C      -3.37691   -0.65012    4.80127
C      -2.51289    4.58382   -0.48872
C       3.37691    0.65012   -4.80127
H       8.06591   -6.98465   -0.43230
H      -8.92992   -3.05095    5.72229
H      -8.06591    6.98465    0.43230
H       8.92992    3.05095   -5.72229
H       6.73312   -4.34798   -2.41150
H      -7.59714   -0.41428    7.70150
H      -6.73312    4.34798    2.41150
H       7.59714    0.41428   -7.70150
H       6.47383   -5.60727   -3.63733
H      -7.33785   -1.67356    8.92733
H      -6.47383    5.60727    3.63733
H       7.33785    1.67356   -8.92733
H       5.25692   -4.33646   -3.39964
H      -6.12094   -0.40275    8.68963
H      -5.25692    4.33646    3.39964
H       6.12094    0.40275   -8.68963
H       4.64319   -6.73536   -2.09916
H      -5.50720   -2.80166    7.38915
H      -4.64319    6.73536    2.09916
H       5.50720    2.80166   -7.38915
H      -0.70965   -0.86470    1.86705
H      -0.15436    3.06900    3.42295
H       0.70965    0.86470   -1.86705
H       0.15436   -3.06900   -3.42295
H      -0.41116   -2.38718    2.71418
H      -0.45286    1.54651    2.57581
H       0.41116    2.38718   -2.71418
H       0.45286   -1.54651   -2.57581
H       0.43434   -0.91042    3.22297
H      -1.29836    3.02327    2.06702
H      -0.43434    0.91042   -3.22297
H       1.29836   -3.02327   -2.06702
H       2.54813   -0.69515    0.04798
H      -3.41215    3.23855    5.24202
H      -2.54813    0.69515   -0.04798
H       3.41215   -3.23855   -5.24202
H       0.96762    0.07976    0.26644
H      -1.83164    4.01347    5.02355
H      -0.96762   -0.07976   -0.26644
H       1.83164   -4.01347   -5.02355
H       2.17896    0.16192    1.55686
H      -3.04298    4.09562    3.73313
H      -2.17896   -0.16192   -1.55686
H       3.04298   -4.09562   -3.73313
H       1.63064   -1.16849    0.57938
H      -2.49466    2.76521    4.71061
H      -1.63064    1.16849   -0.57938
H       2.49466   -2.76521   -4.71061
H       1.51999   -3.16194    2.47049
H      -2.38401    0.77175    2.81950
H      -1.51999    3.16194   -2.47049
H       2.38401   -0.77175   -2.81950
H       3.02613   -2.33237    2.87609
H      -3.89014    1.60133    2.41391
H      -3.02613    2.33237   -2.87609
H       3.89014   -1.60133   -2.41391
H       6.09479   -3.60012   -0.52561
H      -6.95881    0.33358    5.81561
H      -6.09479    3.60012    0.52561
H       6.95881   -0.33358   -5.81561
H       4.88452   -2.25804    1.09702
H      -5.74853    1.67566    4.19298
H      -4.88452    2.25804   -1.09702
H       5.74853   -1.67566   -4.19298
H       2.73907   -6.19809   -0.86953
H      -3.60309   -2.26438    6.15952
H      -2.73907    6.19809    0.86953
H       3.60309    2.26438   -6.15952
H       1.53272   -4.85161    0.75205
H      -2.39674   -0.91791    4.53794
H      -1.53272    4.85161   -0.75205
H       2.39674    0.91791   -4.53794
O       5.83851   -7.95049   -0.82505
O      -6.70253   -4.01679    6.11504
O      -5.83851    7.95049    0.82505
O       6.70253    4.01679   -6.11504
O       7.45930   -6.41934   -0.87586
O      -8.32332   -2.48563    6.16586
O      -7.45930    6.41934    0.87586
O       8.32332    2.48563   -6.16586
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.01483   -6.76475   -6.27790
C      -6.15082   -2.83105    0.98791
C      -7.01483    6.76475    6.27790
C       6.15082    2.83105   -0.98791
C       6.79378   -4.91474   -8.00901
C      -5.92976   -0.98103    2.71901
C      -6.79378    4.91474    8.00901
C       5.92976    0.98103   -2.71901
C       6.06974   -5.80558   -6.96529
C      -5.20572   -1.87188    1.67530
C      -6.06974    5.80558    6.96529
C       5.20572    1.87188   -1.67530
C       0.86395   -1.40328   -2.74897
C       0.00007    2.53042   -2.54102
C      -0.86395    1.40328    2.74897
C      -0.00007   -2.53042    2.54102
C       2.57500   -0.40303   -4.34182
C      -1.71098    3.53067   -0.94817
C      -2.57500    0.40303    4.34182
C       1.71098   -3.53067    0.94817
C       2.01487   -1.72223   -3.74026
C      -1.15085    2.21146   -1.54973
C      -2.01487    1.72223    3.74026
C       1.15085   -2.21146    1.54973
C       3.16193   -2.52929   -3.06421
C      -2.29792    1.40440   -2.22579
C      -3.16193    2.52929    3.06421
C       2.29792   -1.40440    2.22579
C       5.93166   -3.82098   -5.36836
C      -5.06764    0.11272    0.07837
C      -5.93166    3.82098    5.36836
C       5.06764   -0.11272   -0.07837
C       5.23523   -3.04511   -4.43301
C      -4.37121    0.88859   -0.85698
C      -5.23523    3.04511    4.43301
C       4.37121   -0.88859    0.85698
C       5.33324   -4.95926   -5.94146
C      -4.46922   -1.02556    0.65146
C      -5.33324    4.95926    5.94146
C       4.46922    1.02556   -0.65146
C       4.02282   -5.29584   -5.56335
C      -3.15880   -1.36214    0.27336
C      -4.02282    5.29584    5.56335
C       3.15880    1.36214   -0.27336
C       3.92553   -3.39262   -4.04675
C      -3.06152    0.54108   -1.24325
C      -3.92553    3.39262    4.04675
C       3.06152   -0.54108    1.24325
C       3.32442   -4.52216   -4.62748
C      -2.46040   -0.58846   -0.66252
C      -3.32442    4.52216    4.62748
C       2.46040    0.58846    0.66252
H       8.87743   -6.92299   -5.54850
H      -8.01341   -2.98929    0.25850
H      -8.87743    6.92299    5.54850
H       8.01341    2.98929   -0.25850
H       7.54464   -4.28632   -7.52770
H      -6.68062   -0.35262    2.23771
H      -7.54464    4.28632    7.52770
H       6.68062    0.35262   -2.23771
H       7.28535   -5.54561   -8.75353
H      -6.42134   -1.61190    3.46354
H      -7.28535    5.54561    8.75353
H       6.42134    1.61190   -3.46354
H       6.06845   -4.27480   -8.51583
H      -5.20443   -0.34109    3.22584
H      -6.06845    4.27480    8.51583
H       5.20443    0.34109   -3.22584
H       5.45471   -6.67370   -7.21536
H      -4.59069   -2.74000    1.92536
H      -5.45471    6.67370    7.21536
H       4.59069    2.74000   -1.92536
H       0.10187   -0.80304   -3.24915
H       0.76215    3.13066   -2.04084
H      -0.10187    0.80304    3.24915
H      -0.76215   -3.13066    2.04084
H       0.40037   -2.32552   -2.40202
H       0.46365    1.60817   -2.88798
H      -0.40037    2.32552    2.40202
H      -0.46365   -1.60817    2.88798
H       1.24587   -0.84876   -1.89323
H      -0.38185    3.08493   -3.39677
H      -1.24587    0.84876    1.89323
H       0.38185   -3.08493    3.39677
H       3.35965   -0.63349   -5.06822
H      -2.49564    3.30021   -0.22177
H      -3.35965    0.63349    5.06822
H       2.49564   -3.30021    0.22177
H       1.77915    0.14142   -4.84976
H      -0.91513    4.07513   -0.44024
H      -1.77915   -0.14142    4.84976
H       0.91513   -4.07513    0.44024
H       2.99049    0.22358   -3.55934
H      -2.12647    4.15728   -1.73066
H      -2.99049   -0.22358    3.55934
H       2.12647   -4.15728    1.73066
H       2.44216   -1.10683   -4.53682
H      -1.57815    2.82687   -0.75318
H      -2.44216    1.10683    4.53682
H       1.57815   -2.82687    0.75318
H       2.33151   -3.10028   -2.64571
H      -1.46750    0.83341   -2.64429
H      -2.33151    3.10028    2.64571
H       1.46750   -0.83341    2.64429
H       3.83765   -2.27071   -2.24011
H      -2.97363    1.66299   -3.04988
H      -3.83765    2.27071    2.24011
H       2.97363   -1.66299    3.04988
H       6.90632   -3.53846   -5.64181
H      -6.04230    0.39524    0.35182
H      -6.90632    3.53846    5.64181
H       6.04230   -0.39524   -0.35182
H       5.69604   -2.19638   -4.01918
H      -4.83202    1.73732   -1.27081
H      -5.69604    2.19638    4.01918
H       4.83202   -1.73732    1.27081
H       3.55060   -6.13643   -5.98573
H      -2.68658   -2.20272    0.69573
H      -3.55060    6.13643    5.98573
H       2.68658    2.20272   -0.69573
H       2.34425   -4.78995   -4.36415
H      -1.48023   -0.85625   -0.92585
H      -2.34425    4.78995    4.36415
H       1.48023    0.85625    0.92585
O       6.65004   -7.88883   -5.94124
O      -5.78602   -3.95513    0.65125
O      -6.65004    7.88883    5.94124
O       5.78602    3.95513   -0.65125
O       8.27083   -6.35768   -5.99206
O      -7.40681   -2.42397    0.70207
O      -8.27083    6.35768    5.99206
O       7.40681    2.42397   -0.70207
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.01483   -6.76475   -6.27790
C      -6.15082   -2.83105    0.98791
C      -7.01483    6.76475    6.27790
C       6.15082    2.83105   -0.98791
C       6.79378   -4.91474   -8.00901
C      -5.92976   -0.98103    2.71901
C      -6.79378    4.91474    8.00901
C       5.92976    0.98103   -2.71901
C       6.06974   -5.80558   -6.96529
C      -5.20572   -1.87188    1.67530
C      -6.06974    5.80558    6.96529
C       5.20572    1.87188   -1.67530
C       0.86116   -1.40845   -2.75050
C       0.00286    2.52525   -2.53949
C      -0.86116    1.40845    2.75050
C      -0.00286   -2.52525    2.53949
C       2.57385   -0.40016   -4.33651
C      -1.70983    3.53355   -0.95348
C      -2.57385    0.40016    4.33651
C       1.70983   -3.53355    0.95348
C       2.01487   -1.72223   -3.74026
C      -1.15085    2.21146   -1.54973
C      -2.01487    1.72223    3.74026
C       1.15085   -2.21146    1.54973
C       3.16193   -2.52929   -3.06421
C      -2.29792    1.40440   -2.22579
C      -3.16193    2.52929    3.06421
C       2.29792   -1.40440    2.22579
C       5.93166   -3.82098   -5.36836
C      -5.06764    0.11272    0.07837
C      -5.93166    3.82098    5.36836
C       5.06764   -0.11272   -0.07837
C       5.23523   -3.04511   -4.43301
C      -4.37121    0.88859   -0.85698
C      -5.23523    3.04511    4.43301
C       4.37121   -0.88859    0.85698
C       5.33324   -4.95926   -5.94146
C      -4.46922   -1.02556    0.65146
C      -5.33324    4.95926    5.94146
C       4.46922    1.02556   -0.65146
C       4.02282   -5.29584   -5.56335
C      -3.15880   -1.36214    0.27336
C      -4.02282    5.29584    5.56335
C       3.15880    1.36214   -0.27336
C       3.92553   -3.39262   -4.04675
C      -3.06152    0.54108   -1.24325
C      -3.92553    3.39262    4.04675
C       3.06152   -0.54108    1.24325
C       3.32442   -4.52216   -4.62748
C      -2.46040   -0.58846   -0.66252
C      -3.32442    4.52216    4.62748
C       2.46040    0.58846    0.66252
H       8.87743   -6.92299   -5.54850
H      -8.01341   -2.98929    0.25850
H      -8.87743    6.92299    5.54850
H       8.01341    2.98929   -0.25850
H       7.54464   -4.28632   -7.52770
H      -6.68062   -0.35262    2.23771
H      -7.54464    4.28632    7.52770
H       6.68062    0.35262   -2.23771
H       7.28535   -5.54561   -8.75353
H      -6.42134   -1.61190    3.46354
H      -7.28535    5.54561    8.75353
H       6.42134    1.61190   -3.46354
H       6.06845   -4.27480   -8.51583
H      -5.20443   -0.34109    3.22584
H      -6.06845    4.27480    8.51583
H       5.20443    0.34109   -3.22584
H       5.45471   -6.67370   -7.21536
H      -4.59069   -2.74000    1.92536
H      -5.45471    6.67370    7.21536
H       4.59069    2.74000   -1.92536
H       0.09907   -0.80805   -3.25048
H       0.76494    3.12565   -2.03951
H      -0.09907    0.80805    3.25048
H      -0.76494   -3.12565    2.03951
H       0.39851   -2.33260   -2.40741
H       0.46551    1.60109   -2.88258
H      -0.39851    2.33260    2.40741
H      -0.46551   -1.60109    2.88258
H       1.24020   -0.85588   -1.89222
H      -0.37618    3.07781   -3.39778
H      -1.24020    0.85588    1.89222
H       0.37618   -3.07781    3.39778
H       3.36050   -0.62694   -5.06191
H      -2.49648    3.30677   -0.22808
H      -3.36050    0.62694    5.06191
H       2.49648   -3.30677    0.22808
H       1.77811    0.14442   -4.84450
H      -0.91409    4.07812   -0.44550
H      -1.77811   -0.14442    4.84450
H       0.91409   -4.07812    0.44550
H       2.98648    0.22479   -3.55119
H      -2.12246    4.15849   -1.73881
H      -2.98648   -0.22479    3.55119
H       2.12246   -4.15849    1.73881
H       2.44216   -1.10683   -4.53682
H      -1.57815    2.82687   -0.75318
H      -2.44216    1.10683    4.53682
H       1.57815   -2.82687    0.75318
H       2.33151   -3.10028   -2.64571
H      -1.46750    0.83341   -2.64429
H      -2.33151    3.10028    2.64571
H       1.46750   -0.83341    2.64429
H       3.83765   -2.27071   -2.24011
H      -2.97363    1.66299   -3.04988
H      -3.83765    2.27071    2.24011
H       2.97363   -1.66299    3.04988
H       6.90632   -3.53846   -5.64181
H      -6.04230    0.39524    0.35182
H      -6.90632    3.53846    5.64181
H       6.04230   -0.39524   -0.35182
H       5.69604   -2.19638   -4.01918
H      -4.83202    1.73732   -1.27081
H      -5.69604    2.19638    4.01918
H       4.83202   -1.73732    1.27081
H       3.55060   -6.13643   -5.98573
H      -2.68658   -2.20272    0.69573
H      -3.55060    6.13643    5.98573
H       2.68658    2.20272   -0.69573
H       2.34425   -4.78995   -4.36415
H      -1.48023   -0.85625   -0.92585
H      -2.34425    4.78995    4.36415
H       1.48023    0.85625    0.92585
O       6.65004   -7.88883   -5.94124
O      -5.78602   -3.95513    0.65125
O      -6.65004    7.88883    5.94124
O       5.78602    3.95513   -0.65125
O       8.27083   -6.35768   -5.99206
O      -7.40681   -2.42397    0.70207
O      -8.27083    6.35768    5.99206
O       7.40681    2.42397   -0.70207
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.01483   -6.76475   -6.27790
C      -6.15082   -2.83105    0.98791
C      -7.01483    6.76475    6.27790
C       6.15082    2.83105   -0.98791
C       6.79378   -4.91474   -8.00901
C      -5.92976   -0.98103    2.71901
C      -6.79378    4.91474    8.00901
C       5.92976    0.98103   -2.71901
C       6.06974   -5.80558   -6.96529
C      -5.20572   -1.87188    1.67530
C      -6.06974    5.80558    6.96529
C       5.20572    1.87188   -1.67530
C       0.85779   -1.41473   -2.75239
C       0.00622    2.51896   -2.53760
C      -0.85779    1.41473    2.75239
C      -0.00622   -2.51896    2.53760
C       2.57243   -0.39668   -4.33005
C      -1.70841    3.53702   -0.95994
C      -2.57243    0.39668    4.33005
C       1.70841   -3.53702    0.95994
C       2.01487   -1.72223   -3.74026
C      -1.15085    2.21146   -1.54973
C      -2.01487    1.72223    3.74026
C       1.15085   -2.21146    1.54973
C       3.16193   -2.52929   -3.06421
C      -2.29792    1.40440   -2.22579
C      -3.16193    2.52929    3.06421
C       2.29792   -1.40440    2.22579
C       5.93166   -3.82098   -5.36836
C      -5.06764    0.11272    0.07837
C      -5.93166    3.82098    5.36836
C       5.06764   -0.11272   -0.07837
C       5.23523   -3.04511   -4.43301
C      -4.37121    0.88859   -0.85698
C      -5.23523    3.04511    4.43301
C       4.37121   -0.88859    0.85698
C       5.33324   -4.95926   -5.94146
C      -4.46922   -1.02556    0.65146
C      -5.33324    4.95926    5.94146
C       4.46922    1.02556   -0.65146
C       4.02282   -5.29584   -5.56335
C      -3.15880   -1.36214    0.27336
C      -4.02282    5.29584    5.56335
C       3.15880    1.36214   -0.27336
C       3.92553   -3.39262   -4.04675
C      -3.06152    0.54108   -1.24325
C      -3.92553    3.39262    4.04675
C       3.06152   -0.54108    1.24325
C       3.32442   -4.52216   -4.62748
C      -2.46040   -0.58846   -0.66252
C      -3.32442    4.52216    4.62748
C       2.46040    0.58846    0.66252
H       8.87743   -6.92299   -5.54850
H      -8.01341   -2.98929    0.25850
H      -8.87743    6.92299    5.54850
H       8.01341    2.98929   -0.25850
H       7.54464   -4.28632   -7.52770
H      -6.68062   -0.35262    2.23771
H      -7.54464    4.28632    7.52770
H       6.68062    0.35262   -2.23771
H       7.28535   -5.54561   -8.75353
H      -6.42134   -1.61190    3.46354
H      -7.28535    5.54561    8.75353
H       6.42134    1.61190   -3.46354
H       6.06845   -4.27480   -8.51583
H      -5.20443   -0.34109    3.22584
H      -6.06845    4.27480    8.51583
H       5.20443    0.34109   -3.22584
H       5.45471   -6.67370   -7.21536
H      -4.59069   -2.74000    1.92536
H      -5.45471    6.67370    7.21536
H       4.59069    2.74000   -1.92536
H       0.09570   -0.81415   -3.25213
H       0.76831    3.11955   -2.03786
H      -0.09570    0.81415    3.25213
H      -0.76831   -3.11955    2.03786
H       0.39629   -2.34120   -2.41401
H       0.46772    1.59250   -2.87599
H      -0.39629    2.34120    2.41401
H      -0.46772   -1.59250    2.87599
H       1.23333   -0.86457   -1.89103
H      -0.36932    3.06913   -3.39896
H      -1.23333    0.86457    1.89103
H       0.36932   -3.06913    3.39896
H       3.36150   -0.61899   -5.05420
H      -2.49748    3.31472   -0.23579
H      -3.36150    0.61899    5.05420
H       2.49748   -3.31472    0.23579
H       1.77683    0.14804   -4.83809
H      -0.91281    4.08174   -0.45190
H      -1.77683   -0.14804    4.83809
H       0.91281   -4.08174    0.45190
H       2.98159    0.22621   -3.54129
H      -2.11757    4.15991   -1.74871
H      -2.98159   -0.22621    3.54129
H       2.11757   -4.15991    1.74871
H       2.44216   -1.10683   -4.53682
H      -1.57815    2.82687   -0.75318
H      -2.44216    1.10683    4.53682
H       1.57815   -2.82687    0.75318
H       2.33151   -3.10028   -2.64571
H      -1.46750    0.83341   -2.64429
H      -2.33151    3.10028    2.64571
H       1.46750   -0.83341    2.64429
H       3.83765   -2.27071   -2.24011
H      -2.97363    1.66299   -3.04988
H      -3.83765    2.27071    2.24011
H       2.97363   -1.66299    3.04988
H       6.90632   -3.53846   -5.64181
H      -6.04230    0.39524    0.35182
H      -6.90632    3.53846    5.64181
H       6.04230   -0.39524   -0.35182
H       5.69604   -2.19638   -4.01918
H      -4.83202    1.73732   -1.27081
H      -5.69604    2.19638    4.01918
H       4.83202   -1.73732    1.27081
H       3.55060   -6.13643   -5.98573
H      -2.68658   -2.20272    0.69573
H      -3.55060    6.13643    5.98573
H       2.68658    2.20272   -0.69573
H       2.34425   -4.78995   -4.36415
H      -1.48023   -0.85625   -0.92585
H      -2.34425    4.78995    4.36415
H       1.48023    0.85625    0.92585
O       6.65004   -7.88883   -5.94124
O      -5.78602   -3.95513    0.65125
O      -6.65004    7.88883    5.94124
O       5.78602    3.95513   -0.65125
O       8.27083   -6.35768   -5.99206
O      -7.40681   -2.42397    0.70207
O      -8.27083    6.35768    5.99206
O       7.40681    2.42397   -0.70207
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.69005   -1.62358   -2.82919
C       0.17396    2.31011   -2.46081
C      -0.69005    1.62358    2.82919
C      -0.17396   -2.31011    2.46081
C       2.57317   -0.45957   -4.07993
C      -1.70915    3.47413   -1.21007
C      -2.57317    0.45957    4.07993
C       1.70915   -3.47413    1.21007
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.84660   -6.96317   -5.55562
H      -7.98258   -3.02947    0.26563
H      -8.84660    6.96317    5.55562
H       7.98258    3.02947   -0.26563
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H      -0.00667   -0.93771   -3.31432
H       0.87069    2.99599   -1.97567
H       0.00667    0.93771    3.31432
H      -0.87069   -2.99599    1.97567
H       0.17978   -2.57168   -2.66621
H       0.68424    1.36202   -2.62378
H      -0.17978    2.57168    2.66621
H      -0.68424   -1.36202    2.62378
H       0.98725   -1.20545   -1.86872
H      -0.12323    2.72824   -3.42127
H      -0.98725    1.20545    1.86872
H       0.12323   -2.72824    3.42127
H       3.42677   -0.60843   -4.74750
H      -2.56276    3.32528   -0.54249
H      -3.42677    0.60843    4.74750
H       2.56276   -3.32528    0.54249
H       1.84291    0.17315   -4.58409
H      -0.97889    4.10686   -0.70590
H      -1.84291   -0.17315    4.58409
H       0.97889   -4.10686    0.70590
H       2.91246    0.03921   -3.17790
H      -2.04844    3.97291   -2.11210
H      -2.91246   -0.03921    3.17790
H       2.04844   -3.97291    2.11210
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.65244   -7.79639   -6.29032
O      -5.78842   -3.86268    1.00033
O      -6.65244    7.79639    6.29032
O       5.78842    3.86268   -1.00033
O       8.29824   -6.32468   -5.97507
O      -7.43422   -2.39098    0.68507
O      -8.29824    6.32468    5.97507
O       7.43422    2.39098   -0.68507
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.69005   -1.62358   -2.82919
C       0.17396    2.31011   -2.46081
C      -0.69005    1.62358    2.82919
C      -0.17396   -2.31011    2.46081
C       2.57317   -0.45957   -4.07993
C      -1.70915    3.47413   -1.21007
C      -2.57317    0.45957    4.07993
C       1.70915   -3.47413    1.21007
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.85766   -6.96929   -5.58071
H      -7.99364   -3.03559    0.29072
H      -8.85766    6.96929    5.58071
H       7.99364    3.03559   -0.29072
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H      -0.00667   -0.93771   -3.31432
H       0.87069    2.99599   -1.97567
H       0.00667    0.93771    3.31432
H      -0.87069   -2.99599    1.97567
H       0.17978   -2.57168   -2.66621
H       0.68424    1.36202   -2.62378
H      -0.17978    2.57168    2.66621
H      -0.68424   -1.36202    2.62378
H       0.98725   -1.20545   -1.86872
H      -0.12323    2.72824   -3.42127
H      -0.98725    1.20545    1.86872
H       0.12323   -2.72824    3.42127
H       3.42677   -0.60843   -4.74750
H      -2.56276    3.32528   -0.54249
H      -3.42677    0.60843    4.74750
H       2.56276   -3.32528    0.54249
H       1.84291    0.17315   -4.58409
H      -0.97889    4.10686   -0.70590
H      -1.84291   -0.17315    4.58409
H       0.97889   -4.10686    0.70590
H       2.91246    0.03921   -3.17790
H      -2.04844    3.97291   -2.11210
H      -2.91246   -0.03921    3.17790
H       2.04844   -3.97291    2.11210
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.64374   -7.79024   -6.26847
O      -5.77973   -3.85654    0.97848
O      -6.64374    7.79024    6.26847
O       5.77973    3.85654   -0.97848
O       8.30867   -6.33091   -5.99949
O      -7.44465   -2.39720    0.70950
O      -8.30867    6.33091    5.99949
O       7.44465    2.39720   -0.70950
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.79236   -1.45191   -2.75333
C       0.07165    2.48179   -2.53666
C      -0.79236    1.45191    2.75333
C      -0.07165   -2.48179    2.53666
C       2.61885   -0.54684   -4.27327
C      -1.75483    3.38686   -1.01672
C      -2.61885    0.54684    4.27327
C       1.75483   -3.38686    1.01672
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.85766   -6.96929   -5.58071
H      -7.99364   -3.03559    0.29072
H      -8.85766    6.96929    5.58071
H       7.99364    3.03559   -0.29072
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.09601   -0.77099   -3.24593
H       0.76800    3.16271   -2.04406
H      -0.09601    0.77099    3.24593
H      -0.76800   -3.16271    2.04406
H       0.24394   -2.34255   -2.45032
H       0.62008    1.59115   -2.83967
H      -0.24394    2.34255    2.45032
H      -0.62008   -1.59115    2.83967
H       1.20029   -0.96296   -1.87006
H      -0.33627    2.97073   -3.41994
H      -1.20029    0.96296    1.87006
H       0.33627   -2.97073    3.41994
H       3.39757   -0.81810   -4.99193
H      -2.53355    3.11561   -0.29807
H      -3.39757    0.81810    4.99193
H       2.53355   -3.11561    0.29807
H       1.88428    0.08173   -4.77638
H      -1.02026    4.01543   -0.51361
H      -1.88428   -0.08173    4.77638
H       1.02026   -4.01543    0.51361
H       3.06805    0.01359   -3.45983
H      -2.20403    3.94729   -1.83016
H      -3.06805   -0.01359    3.45983
H       2.20403   -3.94729    1.83016
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.64374   -7.79024   -6.26847
O      -5.77973   -3.85654    0.97848
O      -6.64374    7.79024    6.26847
O       5.77973    3.85654   -0.97848
O       8.30867   -6.33091   -5.99949
O      -7.44465   -2.39720    0.70950
O      -8.30867    6.33091    5.99949
O       7.44465    2.39720   -0.70950
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.86892   -1.33896   -2.71811
C      -0.00491    2.59474   -2.57189
C      -0.86892    1.33896    2.71811
C       0.00491   -2.59474    2.57189
C       2.63634   -0.61619   -4.39717
C      -1.77233    3.31751   -0.89282
C      -2.63634    0.61619    4.39717
C       1.77233   -3.31751    0.89282
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.85766   -6.96929   -5.58071
H      -7.99364   -3.03559    0.29072
H      -8.85766    6.96929    5.58071
H       7.99364    3.03559   -0.29072
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.17229   -0.66171   -3.21533
H       0.69173    3.27199   -2.07466
H      -0.17229    0.66171    3.21533
H      -0.69173   -3.27199    2.07466
H       0.30429   -2.18296   -2.32480
H       0.55972    1.75074   -2.96520
H      -0.30429    2.18296    2.32480
H      -0.55972   -1.75074    2.96520
H       1.34804   -0.81180   -1.89458
H      -0.48403    3.12190   -3.39541
H      -1.34804    0.81180    1.89458
H       0.48403   -3.12190    3.39541
H       3.35935   -0.96774   -5.13888
H      -2.49533    2.96596   -0.15111
H      -3.35935    0.96774    5.13888
H       2.49533   -2.96596    0.15111
H       1.89886    0.00986   -4.89915
H      -1.03484    3.94357   -0.39085
H      -1.89886   -0.00986    4.89915
H       1.03484   -3.94357    0.39085
H       3.15533   -0.02413   -3.65040
H      -2.29131    3.90957   -1.63960
H      -3.15533    0.02413    3.65040
H       2.29131   -3.90957    1.63960
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.64374   -7.79024   -6.26847
O      -5.77973   -3.85654    0.97848
O      -6.64374    7.79024    6.26847
O       5.77973    3.85654   -0.97848
O       8.30867   -6.33091   -5.99949
O      -7.44465   -2.39720    0.70950
O      -8.30867    6.33091    5.99949
O       7.44465    2.39720   -0.70950
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.88487   -1.31667   -2.71255
C      -0.02085    2.61702   -2.57745
C      -0.88487    1.31667    2.71255
C       0.02085   -2.61702    2.57745
C       2.63856   -0.63101   -4.42130
C      -1.77455    3.30270   -0.86869
C      -2.63856    0.63101    4.42130
C       1.77455   -3.30270    0.86869
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.85766   -6.96929   -5.58071
H      -7.99364   -3.03559    0.29072
H      -8.85766    6.96929    5.58071
H       7.99364    3.03559   -0.29072
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.18813   -0.64018   -3.21066
H       0.67589    3.29351   -2.07933
H      -0.18813    0.64018    3.21066
H      -0.67589   -3.29351    2.07933
H       0.31788   -2.15062   -2.30159
H       0.54613    1.78307   -2.98840
H      -0.31788    2.15062    2.30159
H      -0.54613   -1.78307    2.98840
H       1.37787   -0.78276   -1.90166
H      -0.51386    3.15093   -3.38833
H      -1.37787    0.78276    1.90166
H       0.51386   -3.15093    3.38833
H       3.34996   -0.99838   -5.16656
H      -2.48595    2.93532   -0.12343
H      -3.34996    0.99838    5.16656
H       2.48595   -2.93532    0.12343
H       1.90050   -0.00543   -4.92302
H      -1.03648    3.92828   -0.36698
H      -1.90050    0.00543    4.92302
H       1.03648   -3.92828    0.36698
H       3.17108   -0.03356   -3.68848
H      -2.30706    3.90014   -1.60151
H      -3.17108    0.03356    3.68848
H       2.30706   -3.90014    1.60151
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.64374   -7.79024   -6.26847
O      -5.77973   -3.85654    0.97848
O      -6.64374    7.79024    6.26847
O       5.77973    3.85654   -0.97848
O       8.30867   -6.33091   -5.99949
O      -7.44465   -2.39720    0.70950
O      -8.30867    6.33091    5.99949
O       7.44465    2.39720   -0.70950
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.91507   -1.27559   -2.70353
C      -0.05105    2.65811   -2.58647
C      -0.91507    1.27559    2.70353
C       0.05105   -2.65811    2.58647
C       2.64165   -0.65931   -4.46551
C      -1.77764    3.27439   -0.82448
C      -2.64165    0.65931    4.46551
C       1.77764   -3.27439    0.82448
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.85766   -6.96929   -5.58071
H      -7.99364   -3.03559    0.29072
H      -8.85766    6.96929    5.58071
H       7.99364    3.03559   -0.29072
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.21809   -0.60054   -3.20325
H       0.64593    3.33316   -2.08674
H      -0.21809    0.60054    3.20325
H      -0.64593   -3.33316    2.08674
H       0.34450   -2.09029   -2.26021
H       0.51952    1.84340   -3.02979
H      -0.34450    2.09029    2.26021
H      -0.51952   -1.84340    3.02979
H       1.43354   -0.72995   -1.91670
H      -0.56953    3.20375   -3.37330
H      -1.43354    0.72995    1.91670
H       0.56953   -3.20375    3.37330
H       3.33112   -1.05583   -5.21643
H      -2.46710    2.87788   -0.07357
H      -3.33112    1.05583    5.21643
H       2.46710   -2.87788    0.07357
H       1.90251   -0.03459   -4.96670
H      -1.03850    3.89911   -0.32330
H      -1.90251    0.03459    4.96670
H       1.03850   -3.89911    0.32330
H       3.19889   -0.05267   -3.75910
H      -2.33488    3.88103   -1.53089
H      -3.19889    0.05267    3.75910
H       2.33488   -3.88103    1.53089
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.64374   -7.79024   -6.26847
O      -5.77973   -3.85654    0.97848
O      -6.64374    7.79024    6.26847
O       5.77973    3.85654   -0.97848
O       8.30867   -6.33091   -5.99949
O      -7.44465   -2.39720    0.70950
O      -8.30867    6.33091    5.99949
O       7.44465    2.39720   -0.70950
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.07001   -6.64969   -6.43414
C      -6.20599   -2.71598    1.14415
C      -7.07001    6.64969    6.43414
C       6.20599    2.71598   -1.14415
C       7.05842   -4.57928   -7.91110
C      -6.19440   -0.64557    2.62111
C      -7.05842    4.57928    7.91110
C       6.19440    0.64557   -2.62111
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.91507   -1.27559   -2.70353
C      -0.05105    2.65811   -2.58647
C      -0.91507    1.27559    2.70353
C       0.05105   -2.65811    2.58647
C       2.64165   -0.65931   -4.46551
C      -1.77764    3.27439   -0.82448
C      -2.64165    0.65931    4.46551
C       1.77764   -3.27439    0.82448
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.90845   -7.00894   -5.71507
H      -8.04443   -3.07523    0.42507
H      -8.90845    7.00894    5.71507
H       8.04443    3.07523   -0.42507
H       7.76863   -4.04495   -7.27829
H      -6.90461   -0.11124    1.98829
H      -7.76863    4.04495    7.27829
H       6.90461    0.11124   -1.98829
H       7.61056   -5.12063   -8.68314
H      -6.74655   -1.18692    3.39315
H      -7.61056    5.12063    8.68314
H       6.74655    1.18692   -3.39315
H       6.39970   -3.85464   -8.39431
H      -5.53569    0.07907    3.10432
H      -6.39970    3.85464    8.39431
H       5.53569   -0.07907   -3.10432
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.21809   -0.60054   -3.20325
H       0.64593    3.33316   -2.08674
H      -0.21809    0.60054    3.20325
H      -0.64593   -3.33316    2.08674
H       0.34450   -2.09029   -2.26021
H       0.51952    1.84340   -3.02979
H      -0.34450    2.09029    2.26021
H      -0.51952   -1.84340    3.02979
H       1.43354   -0.72995   -1.91670
H      -0.56953    3.20375   -3.37330
H      -1.43354    0.72995    1.91670
H       0.56953   -3.20375    3.37330
H       3.33112   -1.05583   -5.21643
H      -2.46710    2.87788   -0.07357
H      -3.33112    1.05583    5.21643
H       2.46710   -2.87788    0.07357
H       1.90251   -0.03459   -4.96670
H      -1.03850    3.89911   -0.32330
H      -1.90251    0.03459    4.96670
H       1.03850   -3.89911    0.32330
H       3.19889   -0.05267   -3.75910
H      -2.33488    3.88103   -1.53089
H      -3.19889    0.05267    3.75910
H       2.33488   -3.88103    1.53089
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.60498   -7.75158   -6.15195
O      -5.74096   -3.81788    0.86196
O      -6.60498    7.75158    6.15195
O       5.74096    3.81788   -0.86196
O       8.35629   -6.37087   -6.13014
O      -7.49228   -2.43716    0.84015
O      -8.35629    6.37087    6.13014
O       7.49228    2.43716   -0.84015
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.08132   -6.63946   -6.43234
C      -6.21731   -2.70575    1.14234
C      -7.08132    6.63946    6.43234
C       6.21731    2.70575   -1.14234
C       7.04647   -4.57792   -7.92130
C      -6.18246   -0.64421    2.63131
C      -7.04647    4.57792    7.92130
C       6.18246    0.64421   -2.63131
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.91507   -1.27559   -2.70353
C      -0.05105    2.65811   -2.58647
C      -0.91507    1.27559    2.70353
C       0.05105   -2.65811    2.58647
C       2.64165   -0.65931   -4.46551
C      -1.77764    3.27439   -0.82448
C      -2.64165    0.65931    4.46551
C       1.77764   -3.27439    0.82448
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       8.92611   -6.98063   -5.72077
H      -8.06209   -3.04693    0.43078
H      -8.92611    6.98063    5.72077
H       8.06209    3.04693   -0.43078
H       7.75589   -4.03456   -7.29533
H      -6.89187   -0.10085    2.00534
H      -7.75589    4.03456    7.29533
H       6.89187    0.10085   -2.00534
H       7.59869   -5.11965   -8.69303
H      -6.73467   -1.18594    3.40304
H      -7.59869    5.11965    8.69303
H       6.73467    1.18594   -3.40304
H       6.37982   -3.86112   -8.40530
H      -5.51580    0.07259    3.11531
H      -6.37982    3.86112    8.40530
H       5.51580   -0.07259   -3.11531
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.21809   -0.60054   -3.20325
H       0.64593    3.33316   -2.08674
H      -0.21809    0.60054    3.20325
H      -0.64593   -3.33316    2.08674
H       0.34450   -2.09029   -2.26021
H       0.51952    1.84340   -3.02979
H      -0.34450    2.09029    2.26021
H      -0.51952   -1.84340    3.02979
H       1.43354   -0.72995   -1.91670
H      -0.56953    3.20375   -3.37330
H      -1.43354    0.72995    1.91670
H       0.56953   -3.20375    3.37330
H       3.33112   -1.05583   -5.21643
H      -2.46710    2.87788   -0.07357
H      -3.33112    1.05583    5.21643
H       2.46710   -2.87788    0.07357
H       1.90251   -0.03459   -4.96670
H      -1.03850    3.89911   -0.32330
H      -1.90251    0.03459    4.96670
H       1.03850   -3.89911    0.32330
H       3.19889   -0.05267   -3.75910
H      -2.33488    3.88103   -1.53089
H      -3.19889    0.05267    3.75910
H       2.33488   -3.88103    1.53089
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       6.62609   -7.74314   -6.14129
O      -5.76207   -3.80944    0.85130
O      -6.62609    7.74314    6.14129
O       5.76207    3.80944   -0.85130
O       8.36702   -6.34919   -6.13668
O      -7.50300   -2.41548    0.84669
O      -8.36702    6.34919    6.13668
O       7.50300    2.41548   -0.84669
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.08132   -6.63946   -6.43234
C      -6.21731   -2.70575    1.14234
C      -7.08132    6.63946    6.43234
C       6.21731    2.70575   -1.14234
C       7.04647   -4.57792   -7.92130
C      -6.18246   -0.64421    2.63131
C      -7.04647    4.57792    7.92130
C       6.18246    0.64421   -2.63131
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.91507   -1.27559   -2.70353
C      -0.05105    2.65811   -2.58647
C      -0.91507    1.27559    2.70353
C       0.05105   -2.65811    2.58647
C       2.64165   -0.65931   -4.46551
C      -1.77764    3.27439   -0.82448
C      -2.64165    0.65931    4.46551
C       1.77764   -3.27439    0.82448
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.03372   -8.50283   -5.68967
H      -6.16970   -4.56913    0.39967
H      -7.03372    8.50283    5.68967
H       6.16970    4.56913   -0.39967
H       7.75589   -4.03456   -7.29533
H      -6.89187   -0.10085    2.00534
H      -7.75589    4.03456    7.29533
H       6.89187    0.10085   -2.00534
H       7.59869   -5.11965   -8.69303
H      -6.73467   -1.18594    3.40304
H      -7.59869    5.11965    8.69303
H       6.73467    1.18594   -3.40304
H       6.37982   -3.86112   -8.40530
H      -5.51580    0.07259    3.11531
H      -6.37982    3.86112    8.40530
H       5.51580   -0.07259   -3.11531
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.21809   -0.60054   -3.20325
H       0.64593    3.33316   -2.08674
H      -0.21809    0.60054    3.20325
H      -0.64593   -3.33316    2.08674
H       0.34450   -2.09029   -2.26021
H       0.51952    1.84340   -3.02979
H      -0.34450    2.09029    2.26021
H      -0.51952   -1.84340    3.02979
H       1.43354   -0.72995   -1.91670
H      -0.56953    3.20375   -3.37330
H      -1.43354    0.72995    1.91670
H       0.56953   -3.20375    3.37330
H       3.33112   -1.05583   -5.21643
H      -2.46710    2.87788   -0.07357
H      -3.33112    1.05583    5.21643
H       2.46710   -2.87788    0.07357
H       1.90251   -0.03459   -4.96670
H      -1.03850    3.89911   -0.32330
H      -1.90251    0.03459    4.96670
H       1.03850   -3.89911    0.32330
H       3.19889   -0.05267   -3.75910
H      -2.33488    3.88103   -1.53089
H      -3.19889    0.05267    3.75910
H       2.33488   -3.88103    1.53089
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.28703   -6.46763   -6.26894
O      -7.42301   -2.53393    0.97895
O      -8.28703    6.46763    6.26894
O       7.42301    2.53393   -0.97895
O       6.52036   -7.81472   -6.07342
O      -5.65635   -3.88101    0.78342
O      -6.52036    7.81472    6.07342
O       5.65635    3.88101   -0.78342
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.91507   -1.27559   -2.70353
C      -0.05105    2.65811   -2.58647
C      -0.91507    1.27559    2.70353
C       0.05105   -2.65811    2.58647
C       2.64165   -0.65931   -4.46551
C      -1.77764    3.27439   -0.82448
C      -2.64165    0.65931    4.46551
C       1.77764   -3.27439    0.82448
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.15370   -8.44152   -5.63845
H      -6.28968   -4.50782    0.34845
H      -7.15370    8.44152    5.63845
H       6.28968    4.50782   -0.34845
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.21809   -0.60054   -3.20325
H       0.64593    3.33316   -2.08674
H      -0.21809    0.60054    3.20325
H      -0.64593   -3.33316    2.08674
H       0.34450   -2.09029   -2.26021
H       0.51952    1.84340   -3.02979
H      -0.34450    2.09029    2.26021
H      -0.51952   -1.84340    3.02979
H       1.43354   -0.72995   -1.91670
H      -0.56953    3.20375   -3.37330
H      -1.43354    0.72995    1.91670
H       0.56953   -3.20375    3.37330
H       3.33112   -1.05583   -5.21643
H      -2.46710    2.87788   -0.07357
H      -3.33112    1.05583    5.21643
H       2.46710   -2.87788    0.07357
H       1.90251   -0.03459   -4.96670
H      -1.03850    3.89911   -0.32330
H      -1.90251    0.03459    4.96670
H       1.03850   -3.89911    0.32330
H       3.19889   -0.05267   -3.75910
H      -2.33488    3.88103   -1.53089
H      -3.19889    0.05267    3.75910
H       2.33488   -3.88103    1.53089
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.33026   -6.38352   -6.29319
O      -7.46624   -2.44981    1.00320
O      -8.33026    6.38352    6.29319
O       7.46624    2.44981   -1.00320
O       6.61111   -7.77915   -6.02722
O      -5.74709   -3.84544    0.73723
O      -6.61111    7.77915    6.02722
O       5.74709    3.84544   -0.73723
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.95835   -1.21904   -2.69376
C      -0.09433    2.71466   -2.59623
C      -0.95835    1.21904    2.69376
C       0.09433   -2.71466    2.59623
C       2.64367   -0.70043   -4.52577
C      -1.77965    3.23327   -0.76423
C      -2.64367    0.70043    4.52577
C       1.77965   -3.23327    0.76423
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.15370   -8.44152   -5.63845
H      -6.28968   -4.50782    0.34845
H      -7.15370    8.44152    5.63845
H       6.28968    4.50782   -0.34845
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.26094   -0.54604   -3.19565
H       0.60308    3.38765   -2.09434
H      -0.26094    0.54604    3.19565
H      -0.60308   -3.38765    2.09434
H       0.38443   -2.00564   -2.20621
H       0.47958    1.92805   -3.08378
H      -0.38443    2.00564    2.20621
H      -0.47958   -1.92805    3.08378
H       1.51157   -0.65874   -1.94166
H      -0.64756    3.27495   -3.34834
H      -1.51157    0.65874    1.94166
H       0.64756   -3.27495    3.34834
H       3.30177   -1.13703   -5.28257
H      -2.43775    2.79668   -0.00743
H      -3.30177    1.13703    5.28257
H       2.43775   -2.79668    0.00743
H       1.90303   -0.07685   -5.02615
H      -1.03901    3.85685   -0.26384
H      -1.90303    0.07685    5.02615
H       1.03901   -3.85685    0.26384
H       3.23449   -0.08275   -3.85723
H      -2.37047    3.85094   -1.43276
H      -3.23449    0.08275    3.85723
H       2.37047   -3.85094    1.43276
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.33026   -6.38352   -6.29319
O      -7.46624   -2.44981    1.00320
O      -8.33026    6.38352    6.29319
O       7.46624    2.44981   -1.00320
O       6.61111   -7.77915   -6.02722
O      -5.74709   -3.84544    0.73723
O      -6.61111    7.77915    6.02722
O       5.74709    3.84544   -0.73723
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.95835   -1.21904   -2.69376
C      -0.09433    2.71466   -2.59623
C      -0.95835    1.21904    2.69376
C       0.09433   -2.71466    2.59623
C       2.64367   -0.70043   -4.52577
C      -1.77965    3.23327   -0.76423
C      -2.64367    0.70043    4.52577
C       1.77965   -3.23327    0.76423
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.19342   -8.49342   -5.77608
H      -6.32940   -4.55971    0.48609
H      -7.19342    8.49342    5.77608
H       6.32940    4.55971   -0.48609
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.26094   -0.54604   -3.19565
H       0.60308    3.38765   -2.09434
H      -0.26094    0.54604    3.19565
H      -0.60308   -3.38765    2.09434
H       0.38443   -2.00564   -2.20621
H       0.47958    1.92805   -3.08378
H      -0.38443    2.00564    2.20621
H      -0.47958   -1.92805    3.08378
H       1.51157   -0.65874   -1.94166
H      -0.64756    3.27495   -3.34834
H      -1.51157    0.65874    1.94166
H       0.64756   -3.27495    3.34834
H       3.30177   -1.13703   -5.28257
H      -2.43775    2.79668   -0.00743
H      -3.30177    1.13703    5.28257
H       2.43775   -2.79668    0.00743
H       1.90303   -0.07685   -5.02615
H      -1.03901    3.85685   -0.26384
H      -1.90303    0.07685    5.02615
H       1.03901   -3.85685    0.26384
H       3.23449   -0.08275   -3.85723
H      -2.37047    3.85094   -1.43276
H      -3.23449    0.08275    3.85723
H       2.37047   -3.85094    1.43276
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.30117   -6.33417   -6.17467
O      -7.43716   -2.40046    0.88468
O      -8.30117    6.33417    6.17467
O       7.43716    2.40046   -0.88468
O       6.64794   -7.83104   -6.16079
O      -5.78393   -3.89733    0.87079
O      -6.64794    7.83104    6.16079
O       5.78393    3.89733   -0.87079
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.94908   -1.23085   -2.69554
C      -0.08506    2.70285   -2.59445
C      -0.94908    1.23085    2.69554
C       0.08506   -2.70285    2.59445
C       2.64340   -0.69163   -4.51324
C      -1.77939    3.24207   -0.77675
C      -2.64340    0.69163    4.51324
C       1.77939   -3.24207    0.77675
C       1.93467   -1.83343   -3.73262
C      -1.07065    2.10027   -1.55738
C      -1.93467    1.83343    3.73262
C       1.07065   -2.10027    1.55738
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.19342   -8.49342   -5.77608
H      -6.32940   -4.55971    0.48609
H      -7.19342    8.49342    5.77608
H       6.32940    4.55971   -0.48609
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.25177   -0.55742   -3.19699
H       0.61225    3.37628   -2.09301
H      -0.25177    0.55742    3.19699
H      -0.61225   -3.37628    2.09301
H       0.37571   -2.02348   -2.21720
H       0.48831    1.91022   -3.07279
H      -0.37571    2.02348    2.21720
H      -0.48831   -1.91022    3.07279
H       1.49507   -0.67347   -1.93603
H      -0.63106    3.26023   -3.35397
H      -1.49507    0.67347    1.93603
H       0.63106   -3.26023    3.35397
H       3.30817   -1.11986   -5.26900
H      -2.44415    2.81384   -0.02099
H      -3.30817    1.11986    5.26900
H       2.44415   -2.81384    0.02099
H       1.90308   -0.06782   -5.01380
H      -1.03906    3.86588   -0.27619
H      -1.90308    0.06782    5.01380
H       1.03906   -3.86588    0.27619
H       3.22726   -0.07611   -3.83665
H      -2.36324    3.85759   -1.45335
H      -3.22726    0.07611    3.83665
H       2.36324   -3.85759    1.45335
H       2.45120   -1.13128   -4.39290
H      -1.58719    2.80242   -0.89709
H      -2.45120    1.13128    4.39290
H       1.58719   -2.80242    0.89709
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.30117   -6.33417   -6.17467
O      -7.43716   -2.40046    0.88468
O      -8.30117    6.33417    6.17467
O       7.43716    2.40046   -0.88468
O       6.64794   -7.83104   -6.16079
O      -5.78393   -3.89733    0.87079
O      -6.64794    7.83104    6.16079
O       5.78393    3.89733   -0.87079
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.92605   -1.26325   -2.69069
C      -0.06204    2.67045   -2.59930
C      -0.92605    1.26325    2.69069
C       0.06204   -2.67045    2.59930
C       2.58518   -0.72124   -4.53976
C      -1.72116    3.21246   -0.75023
C      -2.58518    0.72124    4.53976
C       1.72116   -3.21246    0.75023
C       1.90854   -1.86362   -3.73199
C      -1.04452    2.07008   -1.55801
C      -1.90854    1.86362    3.73199
C       1.04452   -2.07008    1.55801
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.19342   -8.49342   -5.77608
H      -6.32940   -4.55971    0.48609
H      -7.19342    8.49342    5.77608
H       6.32940    4.55971   -0.48609
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.20955   -0.61069   -3.19268
H       0.65447    3.32301   -2.09732
H      -0.20955    0.61069    3.19268
H      -0.65447   -3.32301    2.09732
H       0.37412   -2.05878   -2.19236
H       0.48990    1.87492   -3.09763
H      -0.37412    2.05878    2.19236
H      -0.48990   -1.87492    3.09763
H       1.47181   -0.68413   -1.94745
H      -0.60780    3.24956   -3.34254
H      -1.47181    0.68413    1.94745
H       0.60780   -3.24956    3.34254
H       3.24750   -1.14885   -5.29802
H      -2.38348    2.78485    0.00803
H      -3.24750    1.14885    5.29802
H       2.38348   -2.78485   -0.00803
H       1.82661   -0.11906   -5.03951
H      -0.96260    3.81464   -0.25049
H      -1.82661    0.11906    5.03951
H       0.96260   -3.81464    0.25049
H       3.16658   -0.08459   -3.88084
H      -2.30256    3.84911   -1.40916
H      -3.16658    0.08459    3.88084
H       2.30256   -3.84911    1.40916
H       2.40287   -1.16244   -4.41005
H      -1.53885    2.77126   -0.87994
H      -2.40287    1.16244    4.41005
H       1.53885   -2.77126    0.87994
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.30117   -6.33417   -6.17467
O      -7.43716   -2.40046    0.88468
O      -8.30117    6.33417    6.17467
O       7.43716    2.40046   -0.88468
O       6.64794   -7.83104   -6.16079
O      -5.78393   -3.89733    0.87079
O      -6.64794    7.83104    6.16079
O       5.78393    3.89733   -0.87079
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.92605   -1.26325   -2.69069
C      -0.06204    2.67045   -2.59930
C      -0.92605    1.26325    2.69069
C       0.06204   -2.67045    2.59930
C       2.58518   -0.72124   -4.53976
C      -1.72116    3.21246   -0.75023
C      -2.58518    0.72124    4.53976
C       1.72116   -3.21246    0.75023
C       1.90854   -1.86362   -3.73199
C      -1.04452    2.07008   -1.55801
C      -1.90854    1.86362    3.73199
C       1.04452   -2.07008    1.55801
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.19970   -8.49933   -5.79429
H      -6.33568   -4.56563    0.50430
H      -7.19970    8.49933    5.79429
H       6.33568    4.56563   -0.50430
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.20955   -0.61069   -3.19268
H       0.65447    3.32301   -2.09732
H      -0.20955    0.61069    3.19268
H      -0.65447   -3.32301    2.09732
H       0.37412   -2.05878   -2.19236
H       0.48990    1.87492   -3.09763
H      -0.37412    2.05878    2.19236
H      -0.48990   -1.87492    3.09763
H       1.47181   -0.68413   -1.94745
H      -0.60780    3.24956   -3.34254
H      -1.47181    0.68413    1.94745
H       0.60780   -3.24956    3.34254
H       3.24750   -1.14885   -5.29802
H      -2.38348    2.78485    0.00803
H      -3.24750    1.14885    5.29802
H       2.38348   -2.78485   -0.00803
H       1.82661   -0.11906   -5.03951
H      -0.96260    3.81464   -0.25049
H      -1.82661    0.11906    5.03951
H       0.96260   -3.81464    0.25049
H       3.16658   -0.08459   -3.88084
H      -2.30256    3.84911   -1.40916
H      -3.16658    0.08459    3.88084
H       2.30256   -3.84911    1.40916
H       2.40287   -1.16244   -4.41005
H      -1.53885    2.77126   -0.87994
H      -2.40287    1.16244    4.41005
H       1.53885   -2.77126    0.87994
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29635   -6.32844   -6.15893
O      -7.43233   -2.39474    0.86894
O      -8.29635    6.32844    6.15893
O       7.43233    2.39474   -0.86894
O       6.65382   -7.83698   -6.17848
O      -5.78980   -3.90328    0.88848
O      -6.65382    7.83698    6.17848
O       5.78980    3.90328   -0.88848
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12735   -6.59632   -6.42617
C      -6.26334   -2.66262    1.13618
C      -7.12735    6.59632    6.42617
C       6.26334    2.66262   -1.13618
C       6.99674   -4.57393   -7.96274
C      -6.13272   -0.64022    2.67275
C      -6.99674    4.57393    7.96274
C       6.13272    0.64022   -2.67275
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.93792   -1.24739   -2.68877
C      -0.07391    2.68631   -2.60122
C      -0.93792    1.24739    2.68877
C       0.07391   -2.68631    2.60122
C       2.58537   -0.73314   -4.55612
C      -1.72135    3.20056   -0.73387
C      -2.58537    0.73314    4.55612
C       1.72135   -3.20056    0.73387
C       1.90854   -1.86362   -3.73199
C      -1.04452    2.07008   -1.55801
C      -1.90854    1.86362    3.73199
C       1.04452   -2.07008    1.55801
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.19970   -8.49933   -5.79429
H      -6.33568   -4.56563    0.50430
H      -7.19970    8.49933    5.79429
H       6.33568    4.56563   -0.50430
H       7.70179   -3.99382   -7.36548
H      -6.83777   -0.06011    2.07549
H      -7.70179    3.99382    7.36548
H       6.83777    0.06011   -2.07549
H       7.54931   -5.11715   -8.73317
H      -6.68529   -1.18344    3.44318
H      -7.54931    5.11715    8.73317
H       6.68529    1.18344   -3.44318
H       6.29796   -3.89006   -8.44907
H      -5.43394    0.04365    3.15907
H      -6.29796    3.89006    8.44907
H       5.43394   -0.04365   -3.15907
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22129   -0.59541   -3.19134
H       0.64272    3.33828   -2.09865
H      -0.22129    0.59541    3.19134
H      -0.64272   -3.33828    2.09865
H       0.38530   -2.03477   -2.17840
H       0.47871    1.89893   -3.11159
H      -0.38530    2.03477    2.17840
H      -0.47871   -1.89893    3.11159
H       1.49302   -0.66442   -1.95553
H      -0.62900    3.26928   -3.33447
H      -1.49302    0.66442    1.95553
H       0.62900   -3.26928    3.33447
H       3.23907   -1.17198   -5.31545
H      -2.37505    2.76172    0.02546
H      -3.23907    1.17198    5.31545
H       2.37505   -2.76172   -0.02546
H       1.82640   -0.13127   -5.05563
H      -0.96238    3.80243   -0.23437
H      -1.82640    0.13127    5.05563
H       0.96238   -3.80243    0.23437
H       3.17577   -0.09366   -3.90803
H      -2.31176    3.84004   -1.38196
H      -3.17577    0.09366    3.90803
H       2.31176   -3.84004    1.38196
H       2.40287   -1.16244   -4.41005
H      -1.53885    2.77126   -0.87994
H      -2.40287    1.16244    4.41005
H       1.53885   -2.77126    0.87994
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29635   -6.32844   -6.15893
O      -7.43233   -2.39474    0.86894
O      -8.29635    6.32844    6.15893
O       7.43233    2.39474   -0.86894
O       6.65382   -7.83698   -6.17848
O      -5.78980   -3.90328    0.88848
O      -6.65382    7.83698    6.17848
O       5.78980    3.90328   -0.88848
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12953   -6.59416   -6.42592
C      -6.26552   -2.66046    1.13593
C      -7.12953    6.59416    6.42592
C       6.26552    2.66046   -1.13593
C       6.99423   -4.57380   -7.96475
C      -6.13022   -0.64009    2.67475
C      -6.99423    4.57380    7.96475
C       6.13022    0.64009   -2.67475
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.93792   -1.24739   -2.68877
C      -0.07391    2.68631   -2.60122
C      -0.93792    1.24739    2.68877
C       0.07391   -2.68631    2.60122
C       2.58537   -0.73314   -4.55612
C      -1.72135    3.20056   -0.73387
C      -2.58537    0.73314    4.55612
C       1.72135   -3.20056    0.73387
C       1.90854   -1.86362   -3.73199
C      -1.04452    2.07008   -1.55801
C      -1.90854    1.86362    3.73199
C       1.04452   -2.07008    1.55801
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.20544   -8.49631   -5.79186
H      -6.34142   -4.56261    0.50187
H      -7.20544    8.49631    5.79186
H       6.34142    4.56261   -0.50187
H       7.69903   -3.99191   -7.36892
H      -6.83501   -0.05820    2.07892
H      -7.69903    3.99191    7.36892
H       6.83501    0.05820   -2.07892
H       7.54682   -5.11709   -8.73512
H      -6.68281   -1.18338    3.44512
H      -7.54682    5.11709    8.73512
H       6.68281    1.18338   -3.44512
H       6.29390   -3.89157   -8.45115
H      -5.42989    0.04214    3.16116
H      -6.29390    3.89157    8.45115
H       5.42989   -0.04214   -3.16116
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22129   -0.59541   -3.19134
H       0.64272    3.33828   -2.09865
H      -0.22129    0.59541    3.19134
H      -0.64272   -3.33828    2.09865
H       0.38530   -2.03477   -2.17840
H       0.47871    1.89893   -3.11159
H      -0.38530    2.03477    2.17840
H      -0.47871   -1.89893    3.11159
H       1.49302   -0.66442   -1.95553
H      -0.62900    3.26928   -3.33447
H      -1.49302    0.66442    1.95553
H       0.62900   -3.26928    3.33447
H       3.23907   -1.17198   -5.31545
H      -2.37505    2.76172    0.02546
H      -3.23907    1.17198    5.31545
H       2.37505   -2.76172   -0.02546
H       1.82640   -0.13127   -5.05563
H      -0.96238    3.80243   -0.23437
H      -1.82640    0.13127    5.05563
H       0.96238   -3.80243    0.23437
H       3.17577   -0.09366   -3.90803
H      -2.31176    3.84004   -1.38196
H      -3.17577    0.09366    3.90803
H       2.31176   -3.84004    1.38196
H       2.40287   -1.16244   -4.41005
H      -1.53885    2.77126   -0.87994
H      -2.40287    1.16244    4.41005
H       1.53885   -2.77126    0.87994
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29840   -6.32419   -6.16022
O      -7.43438   -2.39049    0.87023
O      -8.29840    6.32419    6.16022
O       7.43438    2.39049   -0.87023
O       6.65815   -7.83525   -6.17626
O      -5.79413   -3.90155    0.88626
O      -6.65815    7.83525    6.17626
O       5.79413    3.90155   -0.88626
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12953   -6.59416   -6.42592
C      -6.26552   -2.66046    1.13593
C      -7.12953    6.59416    6.42592
C       6.26552    2.66046   -1.13593
C       6.99423   -4.57380   -7.96475
C      -6.13022   -0.64009    2.67475
C      -6.99423    4.57380    7.96475
C       6.13022    0.64009   -2.67475
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.93792   -1.24739   -2.68877
C      -0.07391    2.68631   -2.60122
C      -0.93792    1.24739    2.68877
C       0.07391   -2.68631    2.60122
C       2.58537   -0.73314   -4.55612
C      -1.72135    3.20056   -0.73387
C      -2.58537    0.73314    4.55612
C       1.72135   -3.20056    0.73387
C       1.90854   -1.86362   -3.73199
C      -1.04452    2.07008   -1.55801
C      -1.90854    1.86362    3.73199
C       1.04452   -2.07008    1.55801
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.20709   -8.49783   -5.79664
H      -6.34307   -4.56412    0.50665
H      -7.20709    8.49783    5.79664
H       6.34307    4.56412   -0.50665
H       7.69903   -3.99191   -7.36892
H      -6.83501   -0.05820    2.07892
H      -7.69903    3.99191    7.36892
H       6.83501    0.05820   -2.07892
H       7.54682   -5.11709   -8.73512
H      -6.68281   -1.18338    3.44512
H      -7.54682    5.11709    8.73512
H       6.68281    1.18338   -3.44512
H       6.29390   -3.89157   -8.45115
H      -5.42989    0.04214    3.16116
H      -6.29390    3.89157    8.45115
H       5.42989   -0.04214   -3.16116
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22129   -0.59541   -3.19134
H       0.64272    3.33828   -2.09865
H      -0.22129    0.59541    3.19134
H      -0.64272   -3.33828    2.09865
H       0.38530   -2.03477   -2.17840
H       0.47871    1.89893   -3.11159
H      -0.38530    2.03477    2.17840
H      -0.47871   -1.89893    3.11159
H       1.49302   -0.66442   -1.95553
H      -0.62900    3.26928   -3.33447
H      -1.49302    0.66442    1.95553
H       0.62900   -3.26928    3.33447
H       3.23907   -1.17198   -5.31545
H      -2.37505    2.76172    0.02546
H      -3.23907    1.17198    5.31545
H       2.37505   -2.76172   -0.02546
H       1.82640   -0.13127   -5.05563
H      -0.96238    3.80243   -0.23437
H      -1.82640    0.13127    5.05563
H       0.96238   -3.80243    0.23437
H       3.17577   -0.09366   -3.90803
H      -2.31176    3.84004   -1.38196
H      -3.17577    0.09366    3.90803
H       2.31176   -3.84004    1.38196
H       2.40287   -1.16244   -4.41005
H      -1.53885    2.77126   -0.87994
H      -2.40287    1.16244    4.41005
H       1.53885   -2.77126    0.87994
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29706   -6.32272   -6.15609
O      -7.43304   -2.38901    0.86610
O      -8.29706    6.32272    6.15609
O       7.43304    2.38901   -0.86610
O       6.65969   -7.83678   -6.18090
O      -5.79568   -3.90307    0.89091
O      -6.65969    7.83678    6.18090
O       5.79568    3.90307   -0.89091
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.12953   -6.59416   -6.42592
C      -6.26552   -2.66046    1.13593
C      -7.12953    6.59416    6.42592
C       6.26552    2.66046   -1.13593
C       6.99423   -4.57380   -7.96475
C      -6.13022   -0.64009    2.67475
C      -6.99423    4.57380    7.96475
C       6.13022    0.64009   -2.67475
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.94159   -1.24215   -2.68955
C      -0.07757    2.69154   -2.60045
C      -0.94159    1.24215    2.68955
C       0.07757   -2.69154    2.60045
C       2.59473   -0.72820   -4.55194
C      -1.73071    3.20550   -0.73805
C      -2.59473    0.72820    4.55194
C       1.73071   -3.20550    0.73805
C       1.91267   -1.85870   -3.73214
C      -1.04865    2.07500   -1.55785
C      -1.91267    1.85870    3.73214
C       1.04865   -2.07500    1.55785
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.20709   -8.49783   -5.79664
H      -6.34307   -4.56412    0.50665
H      -7.20709    8.49783    5.79664
H       6.34307    4.56412   -0.50665
H       7.69903   -3.99191   -7.36892
H      -6.83501   -0.05820    2.07892
H      -7.69903    3.99191    7.36892
H       6.83501    0.05820   -2.07892
H       7.54682   -5.11709   -8.73512
H      -6.68281   -1.18338    3.44512
H      -7.54682    5.11709    8.73512
H       6.68281    1.18338   -3.44512
H       6.29390   -3.89157   -8.45115
H      -5.42989    0.04214    3.16116
H      -6.29390    3.89157    8.45115
H       5.42989   -0.04214   -3.16116
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22804   -0.58678   -3.19207
H       0.63598    3.34692   -2.09793
H      -0.22804    0.58678    3.19207
H      -0.63598   -3.34692    2.09793
H       0.38547   -2.02914   -2.18237
H       0.47855    1.90455   -3.10762
H      -0.38547    2.02914    2.18237
H      -0.47855   -1.90455    3.10762
H       1.49680   -0.66269   -1.95361
H      -0.63278    3.27100   -3.33638
H      -1.49680    0.66269    1.95361
H       0.63278   -3.27100    3.33638
H       3.24879   -1.16711   -5.31091
H      -2.38477    2.76659    0.02092
H      -3.24879    1.16711    5.31091
H       2.38477   -2.76659   -0.02092
H       1.83868   -0.12281   -5.05162
H      -0.97466    3.81089   -0.23837
H      -1.83868    0.12281    5.05162
H       0.97466   -3.81089    0.23837
H       3.18560   -0.09213   -3.90094
H      -2.32158    3.84157   -1.38905
H      -3.18560    0.09213    3.90094
H       2.32158   -3.84157    1.38905
H       2.41061   -1.15731   -4.40735
H      -1.54659    2.77639   -0.88264
H      -2.41061    1.15731    4.40735
H       1.54659   -2.77639    0.88264
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29706   -6.32272   -6.15609
O      -7.43304   -2.38901    0.86610
O      -8.29706    6.32272    6.15609
O       7.43304    2.38901   -0.86610
O       6.65969   -7.83678   -6.18090
O      -5.79568   -3.90307    0.89091
O      -6.65969    7.83678    6.18090
O       5.79568    3.90307   -0.89091
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13115   -6.59255   -6.42574
C      -6.26713   -2.65885    1.13574
C      -7.13115    6.59255    6.42574
C       6.26713    2.65885   -1.13574
C       6.99235   -4.57371   -7.96625
C      -6.12833   -0.64000    2.67625
C      -6.99235    4.57371    7.96625
C       6.12833    0.64000   -2.67625
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.94159   -1.24215   -2.68955
C      -0.07757    2.69154   -2.60045
C      -0.94159    1.24215    2.68955
C       0.07757   -2.69154    2.60045
C       2.59473   -0.72820   -4.55194
C      -1.73071    3.20550   -0.73805
C      -2.59473    0.72820    4.55194
C       1.73071   -3.20550    0.73805
C       1.91267   -1.85870   -3.73214
C      -1.04865    2.07500   -1.55785
C      -1.91267    1.85870    3.73214
C       1.04865   -2.07500    1.55785
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.21136   -8.49556   -5.79483
H      -6.34735   -4.56186    0.50483
H      -7.21136    8.49556    5.79483
H       6.34735    4.56186   -0.50483
H       7.69694   -3.99048   -7.37148
H      -6.83292   -0.05678    2.08149
H      -7.69694    3.99048    7.37148
H       6.83292    0.05678   -2.08149
H       7.54495   -5.11705   -8.73656
H      -6.68094   -1.18334    3.44657
H      -7.54495    5.11705    8.73656
H       6.68094    1.18334   -3.44657
H       6.29086   -3.89271   -8.45270
H      -5.42684    0.04100    3.16271
H      -6.29086    3.89271    8.45270
H       5.42684   -0.04100   -3.16271
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22804   -0.58678   -3.19207
H       0.63598    3.34692   -2.09793
H      -0.22804    0.58678    3.19207
H      -0.63598   -3.34692    2.09793
H       0.38547   -2.02914   -2.18237
H       0.47855    1.90455   -3.10762
H      -0.38547    2.02914    2.18237
H      -0.47855   -1.90455    3.10762
H       1.49680   -0.66269   -1.95361
H      -0.63278    3.27100   -3.33638
H      -1.49680    0.66269    1.95361
H       0.63278   -3.27100    3.33638
H       3.24879   -1.16711   -5.31091
H      -2.38477    2.76659    0.02092
H      -3.24879    1.16711    5.31091
H       2.38477   -2.76659   -0.02092
H       1.83868   -0.12281   -5.05162
H      -0.97466    3.81089   -0.23837
H      -1.83868    0.12281    5.05162
H       0.97466   -3.81089    0.23837
H       3.18560   -0.09213   -3.90094
H      -2.32158    3.84157   -1.38905
H      -3.18560    0.09213    3.90094
H       2.32158   -3.84157    1.38905
H       2.41061   -1.15731   -4.40735
H      -1.54659    2.77639   -0.88264
H      -2.41061    1.15731    4.40735
H       1.54659   -2.77639    0.88264
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29858   -6.31953   -6.15707
O      -7.43456   -2.38583    0.86707
O      -8.29858    6.31953    6.15707
O       7.43456    2.38583   -0.86707
O       6.66292   -7.83548   -6.17925
O      -5.79890   -3.90177    0.88925
O      -6.66292    7.83548    6.17925
O       5.79890    3.90177   -0.88925
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13036   -6.59328   -6.42582
C      -6.26634   -2.65957    1.13582
C      -7.13036    6.59328    6.42582
C       6.26634    2.65957   -1.13582
C       6.99313   -4.57375   -7.96557
C      -6.12911   -0.64004    2.67558
C      -6.99313    4.57375    7.96557
C       6.12911    0.64004   -2.67558
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.94159   -1.24215   -2.68955
C      -0.07757    2.69154   -2.60045
C      -0.94159    1.24215    2.68955
C       0.07757   -2.69154    2.60045
C       2.59473   -0.72820   -4.55194
C      -1.73071    3.20550   -0.73805
C      -2.59473    0.72820    4.55194
C       1.73071   -3.20550    0.73805
C       1.91267   -1.85870   -3.73214
C      -1.04865    2.07500   -1.55785
C      -1.91267    1.85870    3.73214
C       1.04865   -2.07500    1.55785
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.20938   -8.49657   -5.79564
H      -6.34536   -4.56287    0.50564
H      -7.20938    8.49657    5.79564
H       6.34536    4.56287   -0.50564
H       7.69781   -3.99112   -7.37033
H      -6.83379   -0.05741    2.08034
H      -7.69781    3.99112    7.37033
H       6.83379    0.05741   -2.08034
H       7.54573   -5.11706   -8.73591
H      -6.68172   -1.18335    3.44592
H      -7.54573    5.11706    8.73591
H       6.68172    1.18335   -3.44592
H       6.29216   -3.89220   -8.45201
H      -5.42815    0.04151    3.16201
H      -6.29216    3.89220    8.45201
H       5.42815   -0.04151   -3.16201
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22804   -0.58678   -3.19207
H       0.63598    3.34692   -2.09793
H      -0.22804    0.58678    3.19207
H      -0.63598   -3.34692    2.09793
H       0.38547   -2.02914   -2.18237
H       0.47855    1.90455   -3.10762
H      -0.38547    2.02914    2.18237
H      -0.47855   -1.90455    3.10762
H       1.49680   -0.66269   -1.95361
H      -0.63278    3.27100   -3.33638
H      -1.49680    0.66269    1.95361
H       0.63278   -3.27100    3.33638
H       3.24879   -1.16711   -5.31091
H      -2.38477    2.76659    0.02092
H      -3.24879    1.16711    5.31091
H       2.38477   -2.76659   -0.02092
H       1.83868   -0.12281   -5.05162
H      -0.97466    3.81089   -0.23837
H      -1.83868    0.12281    5.05162
H       0.97466   -3.81089    0.23837
H       3.18560   -0.09213   -3.90094
H      -2.32158    3.84157   -1.38905
H      -3.18560    0.09213    3.90094
H       2.32158   -3.84157    1.38905
H       2.41061   -1.15731   -4.40735
H      -1.54659    2.77639   -0.88264
H      -2.41061    1.15731    4.40735
H       1.54659   -2.77639    0.88264
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29783   -6.32096   -6.15663
O      -7.43381   -2.38725    0.86663
O      -8.29783    6.32096    6.15663
O       7.43381    2.38725   -0.86663
O       6.66140   -7.83606   -6.17999
O      -5.79739   -3.90235    0.88999
O      -6.66140    7.83606    6.17999
O       5.79739    3.90235   -0.88999
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13036   -6.59328   -6.42582
C      -6.26634   -2.65957    1.13582
C      -7.13036    6.59328    6.42582
C       6.26634    2.65957   -1.13582
C       6.99313   -4.57375   -7.96557
C      -6.12911   -0.64004    2.67558
C      -6.99313    4.57375    7.96557
C       6.12911    0.64004   -2.67558
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.94159   -1.24215   -2.68955
C      -0.07757    2.69154   -2.60045
C      -0.94159    1.24215    2.68955
C       0.07757   -2.69154    2.60045
C       2.59473   -0.72820   -4.55194
C      -1.73071    3.20550   -0.73805
C      -2.59473    0.72820    4.55194
C       1.73071   -3.20550    0.73805
C       1.91267   -1.85870   -3.73214
C      -1.04865    2.07500   -1.55785
C      -1.91267    1.85870    3.73214
C       1.04865   -2.07500    1.55785
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.21021   -8.49735   -5.79811
H      -6.34620   -4.56365    0.50811
H      -7.21021    8.49735    5.79811
H       6.34620    4.56365   -0.50811
H       7.69781   -3.99112   -7.37033
H      -6.83379   -0.05741    2.08034
H      -7.69781    3.99112    7.37033
H       6.83379    0.05741   -2.08034
H       7.54573   -5.11706   -8.73591
H      -6.68172   -1.18335    3.44592
H      -7.54573    5.11706    8.73591
H       6.68172    1.18335   -3.44592
H       6.29216   -3.89220   -8.45201
H      -5.42815    0.04151    3.16201
H      -6.29216    3.89220    8.45201
H       5.42815   -0.04151   -3.16201
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22804   -0.58678   -3.19207
H       0.63598    3.34692   -2.09793
H      -0.22804    0.58678    3.19207
H      -0.63598   -3.34692    2.09793
H       0.38547   -2.02914   -2.18237
H       0.47855    1.90455   -3.10762
H      -0.38547    2.02914    2.18237
H      -0.47855   -1.90455    3.10762
H       1.49680   -0.66269   -1.95361
H      -0.63278    3.27100   -3.33638
H      -1.49680    0.66269    1.95361
H       0.63278   -3.27100    3.33638
H       3.24879   -1.16711   -5.31091
H      -2.38477    2.76659    0.02092
H      -3.24879    1.16711    5.31091
H       2.38477   -2.76659   -0.02092
H       1.83868   -0.12281   -5.05162
H      -0.97466    3.81089   -0.23837
H      -1.83868    0.12281    5.05162
H       0.97466   -3.81089    0.23837
H       3.18560   -0.09213   -3.90094
H      -2.32158    3.84157   -1.38905
H      -3.18560    0.09213    3.90094
H       2.32158   -3.84157    1.38905
H       2.41061   -1.15731   -4.40735
H      -1.54659    2.77639   -0.88264
H      -2.41061    1.15731    4.40735
H       1.54659   -2.77639    0.88264
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29711   -6.32020   -6.15449
O      -7.43309   -2.38649    0.86450
O      -8.29711    6.32020    6.15449
O       7.43309    2.38649   -0.86450
O       6.66218   -7.83684   -6.18238
O      -5.79817   -3.90313    0.89239
O      -6.66218    7.83684    6.18238
O       5.79817    3.90313   -0.89239
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13036   -6.59328   -6.42582
C      -6.26634   -2.65957    1.13582
C      -7.13036    6.59328    6.42582
C       6.26634    2.65957   -1.13582
C       6.99313   -4.57375   -7.96557
C      -6.12911   -0.64004    2.67558
C      -6.99313    4.57375    7.96557
C       6.12911    0.64004   -2.67558
C       6.21675   -5.57774   -7.07335
C      -5.35273   -1.64404    1.78335
C      -6.21675    5.57774    7.07335
C       5.35273    1.64404   -1.78335
C       0.94159   -1.24215   -2.68955
C      -0.07757    2.69154   -2.60045
C      -0.94159    1.24215    2.68955
C       0.07757   -2.69154    2.60045
C       2.59473   -0.72820   -4.55194
C      -1.73071    3.20550   -0.73805
C      -2.59473    0.72820    4.55194
C       1.73071   -3.20550    0.73805
C       1.91267   -1.85870   -3.73214
C      -1.04865    2.07500   -1.55785
C      -1.91267    1.85870    3.73214
C       1.04865   -2.07500    1.55785
C       2.99280   -2.75964   -3.06431
C      -2.12878    1.17406   -2.22569
C      -2.99280    2.75964    3.06431
C       2.12878   -1.17406    2.22569
C       5.95567   -3.82038   -5.24266
C      -5.09166    0.11332   -0.04734
C      -5.95567    3.82038    5.24266
C       5.09166   -0.11332    0.04734
C       5.18326   -3.15430   -4.28267
C      -4.31924    0.77940   -1.00733
C      -5.18326    3.15430    4.28267
C       4.31924   -0.77940    1.00733
C       5.39689   -4.85240   -6.02043
C      -4.53287   -0.91869    0.73044
C      -5.39689    4.85240    6.02043
C       4.53287    0.91869   -0.73044
C       4.04908   -5.19436   -5.82059
C      -3.18506   -1.26065    0.53059
C      -4.04908    5.19436    5.82059
C       3.18506    1.26065   -0.53059
C       3.83515   -3.50821   -4.07619
C      -2.97114    0.42549   -1.21380
C      -3.83515    3.50821    4.07619
C       2.97114   -0.42549    1.21380
C       3.27461   -4.53045   -4.86056
C      -2.41060   -0.59675   -0.42943
C      -3.27461    4.53045    4.86056
C       2.41060    0.59675    0.42943
H       7.20944   -8.49671   -5.79608
H      -6.34542   -4.56300    0.50609
H      -7.20944    8.49671    5.79608
H       6.34542    4.56300   -0.50609
H       7.69781   -3.99112   -7.37033
H      -6.83379   -0.05741    2.08034
H      -7.69781    3.99112    7.37033
H       6.83379    0.05741   -2.08034
H       7.54573   -5.11706   -8.73591
H      -6.68172   -1.18335    3.44592
H      -7.54573    5.11706    8.73591
H       6.68172    1.18335   -3.44592
H       6.29216   -3.89220   -8.45201
H      -5.42815    0.04151    3.16201
H      -6.29216    3.89220    8.45201
H       5.42815   -0.04151   -3.16201
H       5.61397   -6.38468   -7.49754
H      -4.74996   -2.45098    2.20755
H      -5.61397    6.38468    7.49754
H       4.74996    2.45098   -2.20755
H       0.22804   -0.58678   -3.19207
H       0.63598    3.34692   -2.09793
H      -0.22804    0.58678    3.19207
H      -0.63598   -3.34692    2.09793
H       0.38547   -2.02914   -2.18237
H       0.47855    1.90455   -3.10762
H      -0.38547    2.02914    2.18237
H      -0.47855   -1.90455    3.10762
H       1.49680   -0.66269   -1.95361
H      -0.63278    3.27100   -3.33638
H      -1.49680    0.66269    1.95361
H       0.63278   -3.27100    3.33638
H       3.24879   -1.16711   -5.31091
H      -2.38477    2.76659    0.02092
H      -3.24879    1.16711    5.31091
H       2.38477   -2.76659   -0.02092
H       1.83868   -0.12281   -5.05162
H      -0.97466    3.81089   -0.23837
H      -1.83868    0.12281    5.05162
H       0.97466   -3.81089    0.23837
H       3.18560   -0.09213   -3.90094
H      -2.32158    3.84157   -1.38905
H      -3.18560    0.09213    3.90094
H       2.32158   -3.84157    1.38905
H       2.41061   -1.15731   -4.40735
H      -1.54659    2.77639   -0.88264
H      -2.41061    1.15731    4.40735
H       1.54659   -2.77639    0.88264
H       2.11408   -3.35451   -2.80988
H      -1.25006    0.57919   -2.48012
H      -2.11408    3.35451    2.80988
H       1.25006   -0.57919    2.48012
H       3.58694   -2.63495   -2.15105
H      -2.72292    1.29875   -3.13895
H      -3.58694    2.63495    2.15105
H       2.72292   -1.29875    3.13895
H       6.95795   -3.53520   -5.37926
H      -6.09394    0.39850    0.08927
H      -6.95795    3.53520    5.37926
H       6.09394   -0.39850   -0.08927
H       5.61580   -2.38348   -3.71461
H      -4.75178    1.55022   -1.57538
H      -5.61580    2.38348    3.71461
H       4.75178   -1.55022    1.57538
H       3.60620   -5.95561   -6.39707
H      -2.74218   -2.02191    1.10707
H      -3.60620    5.95561    6.39707
H       2.74218    2.02191   -1.10707
H       2.26814   -4.79951   -4.73248
H      -1.40413   -0.86581   -0.55752
H      -2.26814    4.79951    4.73248
H       1.40413    0.86581    0.55752
O       8.29761   -6.32082   -6.15624
O      -7.43360   -2.38711    0.86625
O      -8.29761    6.32082    6.15624
O       7.43360    2.38711   -0.86625
O       6.66146   -7.83619   -6.18042
O      -5.79744   -3.90249    0.89042
O      -6.66146    7.83619    6.18042
O       5.79744    3.90249   -0.89042
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.08847   -6.62880   -6.43651
C      -6.22446   -2.69510    1.14652
C      -7.08847    6.62880    6.43651
C       6.22446    2.69510   -1.14652
C       6.95125   -4.60927   -7.97627
C      -6.08723   -0.67556    2.68627
C      -6.95125    4.60927    7.97627
C       6.08723    0.67556   -2.68627
C       6.17486   -5.61327   -7.08404
C      -5.31084   -1.67956    1.79405
C      -6.17486    5.61327    7.08404
C       5.31084    1.67956   -1.79405
C       0.89970   -1.27768   -2.70024
C      -0.03568    2.65602   -2.58975
C      -0.89970    1.27768    2.70024
C       0.03568   -2.65602    2.58975
C       2.55284   -0.76373   -4.56264
C      -1.68882    3.16997   -0.72736
C      -2.55284    0.76373    4.56264
C       1.68882   -3.16997    0.72736
C       1.87078   -1.89423   -3.74284
C      -1.00676    2.03947   -1.54715
C      -1.87078    1.89423    3.74284
C       1.00676   -2.03947    1.54715
C       2.95092   -2.79517   -3.07500
C      -2.08690    1.13853   -2.21499
C      -2.95092    2.79517    3.07500
C       2.08690   -1.13853    2.21499
C       5.91379   -3.85591   -5.25335
C      -5.04977    0.07779   -0.03664
C      -5.91379    3.85591    5.25335
C       5.04977   -0.07779    0.03664
C       5.14137   -3.18983   -4.29336
C      -4.27736    0.74387   -0.99663
C      -5.14137    3.18983    4.29336
C       4.27736   -0.74387    0.99663
C       5.35500   -4.88792   -6.03113
C      -4.49098   -0.95422    0.74113
C      -5.35500    4.88792    6.03113
C       4.49098    0.95422   -0.74113
C       4.00719   -5.22988   -5.83128
C      -3.14318   -1.29618    0.54129
C      -4.00719    5.22988    5.83128
C       3.14318    1.29618   -0.54129
C       3.79327   -3.54373   -4.08689
C      -2.92925    0.38997   -1.20311
C      -3.79327    3.54373    4.08689
C       2.92925   -0.38997    1.20311
C       3.23273   -4.56598   -4.87126
C      -2.36871   -0.63228   -0.41873
C      -3.23273    4.56598    4.87126
C       2.36871    0.63228    0.41873
H       7.16755   -8.53223   -5.80678
H      -6.30354   -4.59853    0.51678
H      -7.16755    8.53223    5.80678
H       6.30354    4.59853   -0.51678
H       7.65593   -4.02664   -7.38103
H      -6.79191   -0.09294    2.09103
H      -7.65593    4.02664    7.38103
H       6.79191    0.09294   -2.09103
H       7.50385   -5.15259   -8.74661
H      -6.63983   -1.21888    3.45661
H      -7.50385    5.15259    8.74661
H       6.63983    1.21888   -3.45661
H       6.25028   -3.92772   -8.46270
H      -5.38626    0.00599    3.17271
H      -6.25028    3.92772    8.46270
H       5.38626   -0.00599   -3.17271
H       5.57209   -6.42021   -7.50824
H      -4.70807   -2.48650    2.21824
H      -5.57209    6.42021    7.50824
H       4.70807    2.48650   -2.21824
H       0.18615   -0.62230   -3.20276
H       0.67787    3.31139   -2.08723
H      -0.18615    0.62230    3.20276
H      -0.67787   -3.31139    2.08723
H       0.34358   -2.06467   -2.19307
H       0.52043    1.86903   -3.09692
H      -0.34358    2.06467    2.19307
H      -0.52043   -1.86903    3.09692
H       1.45491   -0.69822   -1.96431
H      -0.59089    3.23548   -3.32568
H      -1.45491    0.69822    1.96431
H       0.59089   -3.23548    3.32568
H       3.20691   -1.20264   -5.32161
H      -2.34289    2.73107    0.03161
H      -3.20691    1.20264    5.32161
H       2.34289   -2.73107   -0.03161
H       1.79680   -0.15834   -5.06232
H      -0.93278    3.77537   -0.22768
H      -1.79680    0.15834    5.06232
H       0.93278   -3.77537    0.22768
H       3.14371   -0.12765   -3.91164
H      -2.27970    3.80605   -1.37836
H      -3.14371    0.12765    3.91164
H       2.27970   -3.80605    1.37836
H       2.36872   -1.19284   -4.41805
H      -1.50471    2.74086   -0.87195
H      -2.36872    1.19284    4.41805
H       1.50471   -2.74086    0.87195
H       2.07219   -3.39004   -2.82057
H      -1.20817    0.54366   -2.46942
H      -2.07219    3.39004    2.82057
H       1.20817   -0.54366    2.46942
H       3.54506   -2.67048   -2.16174
H      -2.68104    1.26322   -3.12825
H      -3.54506    2.67048    2.16174
H       2.68104   -1.26322    3.12825
H       6.91607   -3.57073   -5.38995
H      -6.05205    0.36297    0.09996
H      -6.91607    3.57073    5.38995
H       6.05205   -0.36297   -0.09996
H       5.57392   -2.41901   -3.72531
H      -4.70990    1.51469   -1.56469
H      -5.57392    2.41901    3.72531
H       4.70990   -1.51469    1.56469
H       3.56431   -5.99114   -6.40776
H      -2.70030   -2.05743    1.11777
H      -3.56431    5.99114    6.40776
H       2.70030    2.05743   -1.11777
H       2.22626   -4.83504   -4.74317
H      -1.36224   -0.90134   -0.54682
H      -2.22626    4.83504    4.74317
H       1.36224    0.90134    0.54682
O       8.25573   -6.35634   -6.16694
O      -7.39171   -2.42264    0.87694
O      -8.25573    6.35634    6.16694
O       7.39171    2.42264   -0.87694
O       6.61957   -7.87172   -6.19111
O      -5.75555   -3.93801    0.90112
O      -6.61957    7.87172    6.19111
O       5.75555    3.93801   -0.90112
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.11858   -6.59893   -6.43361
C      -6.25456   -2.66523    1.14362
C      -7.11858    6.59893    6.43361
C       6.25456    2.66523   -1.14362
C       6.91728   -4.60815   -8.00346
C      -6.05326   -0.67444    2.71346
C      -6.91728    4.60815    8.00346
C       6.05326    0.67444   -2.71346
C       6.17486   -5.61327   -7.08404
C      -5.31084   -1.67956    1.79405
C      -6.17486    5.61327    7.08404
C       5.31084    1.67956   -1.79405
C       0.89970   -1.27768   -2.70024
C      -0.03568    2.65602   -2.58975
C      -0.89970    1.27768    2.70024
C       0.03568   -2.65602    2.58975
C       2.55284   -0.76373   -4.56264
C      -1.68882    3.16997   -0.72736
C      -2.55284    0.76373    4.56264
C       1.68882   -3.16997    0.72736
C       1.87078   -1.89423   -3.74284
C      -1.00676    2.03947   -1.54715
C      -1.87078    1.89423    3.74284
C       1.00676   -2.03947    1.54715
C       2.95092   -2.79517   -3.07500
C      -2.08690    1.13853   -2.21499
C      -2.95092    2.79517    3.07500
C       2.08690   -1.13853    2.21499
C       5.91379   -3.85591   -5.25335
C      -5.04977    0.07779   -0.03664
C      -5.91379    3.85591    5.25335
C       5.04977   -0.07779    0.03664
C       5.14137   -3.18983   -4.29336
C      -4.27736    0.74387   -0.99663
C      -5.14137    3.18983    4.29336
C       4.27736   -0.74387    0.99663
C       5.35500   -4.88792   -6.03113
C      -4.49098   -0.95422    0.74113
C      -5.35500    4.88792    6.03113
C       4.49098    0.95422   -0.74113
C       4.00719   -5.22988   -5.83128
C      -3.14318   -1.29618    0.54129
C      -4.00719    5.22988    5.83128
C       3.14318    1.29618   -0.54129
C       3.79327   -3.54373   -4.08689
C      -2.92925    0.38997   -1.20311
C      -3.79327    3.54373    4.08689
C       2.92925   -0.38997    1.20311
C       3.23273   -4.56598   -4.87126
C      -2.36871   -0.63228   -0.41873
C      -3.23273    4.56598    4.87126
C       2.36871    0.63228    0.41873
H       7.24642   -8.48976   -5.77459
H      -6.38240   -4.55605    0.48459
H      -7.24642    8.48976    5.77459
H       6.38240    4.55605   -0.48459
H       7.61797   -4.00139   -7.42794
H      -6.75395   -0.06768    2.13795
H      -7.61797    4.00139    7.42794
H       6.75395    0.06768   -2.13795
H       7.47016   -5.15243   -8.77291
H      -6.60615   -1.21872    3.48291
H      -7.47016    5.15243    8.77291
H       6.60615    1.21872   -3.48291
H       6.19537   -3.94931   -8.49055
H      -5.33135   -0.01560    3.20056
H      -6.19537    3.94931    8.49055
H       5.33135    0.01560   -3.20056
H       5.57209   -6.42021   -7.50824
H      -4.70807   -2.48650    2.21824
H      -5.57209    6.42021    7.50824
H       4.70807    2.48650   -2.21824
H       0.18615   -0.62230   -3.20276
H       0.67787    3.31139   -2.08723
H      -0.18615    0.62230    3.20276
H      -0.67787   -3.31139    2.08723
H       0.34358   -2.06467   -2.19307
H       0.52043    1.86903   -3.09692
H      -0.34358    2.06467    2.19307
H      -0.52043   -1.86903    3.09692
H       1.45491   -0.69822   -1.96431
H      -0.59089    3.23548   -3.32568
H      -1.45491    0.69822    1.96431
H       0.59089   -3.23548    3.32568
H       3.20691   -1.20264   -5.32161
H      -2.34289    2.73107    0.03161
H      -3.20691    1.20264    5.32161
H       2.34289   -2.73107   -0.03161
H       1.79680   -0.15834   -5.06232
H      -0.93278    3.77537   -0.22768
H      -1.79680    0.15834    5.06232
H       0.93278   -3.77537    0.22768
H       3.14371   -0.12765   -3.91164
H      -2.27970    3.80605   -1.37836
H      -3.14371    0.12765    3.91164
H       2.27970   -3.80605    1.37836
H       2.36872   -1.19284   -4.41805
H      -1.50471    2.74086   -0.87195
H      -2.36872    1.19284    4.41805
H       1.50471   -2.74086    0.87195
H       2.07219   -3.39004   -2.82057
H      -1.20817    0.54366   -2.46942
H      -2.07219    3.39004    2.82057
H       1.20817   -0.54366    2.46942
H       3.54506   -2.67048   -2.16174
H      -2.68104    1.26322   -3.12825
H      -3.54506    2.67048    2.16174
H       2.68104   -1.26322    3.12825
H       6.91607   -3.57073   -5.38995
H      -6.05205    0.36297    0.09996
H      -6.91607    3.57073    5.38995
H       6.05205   -0.36297   -0.09996
H       5.57392   -2.41901   -3.72531
H      -4.70990    1.51469   -1.56469
H      -5.57392    2.41901    3.72531
H       4.70990   -1.51469    1.56469
H       3.56431   -5.99114   -6.40776
H      -2.70030   -2.05743    1.11777
H      -3.56431    5.99114    6.40776
H       2.70030    2.05743   -1.11777
H       2.22626   -4.83504   -4.74317
H      -1.36224   -0.90134   -0.54682
H      -2.22626    4.83504    4.74317
H       1.36224    0.90134    0.54682
O       8.28358   -6.29799   -6.18542
O      -7.41956   -2.36428    0.89542
O      -8.28358    6.29799    6.18542
O       7.41956    2.36428   -0.89542
O       6.67933   -7.84711   -6.16149
O      -5.81532   -3.91340    0.87150
O      -6.67933    7.84711    6.16149
O       5.81532    3.91340   -0.87150
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13461   -6.58249   -6.43242
C      -6.27059   -2.64878    1.14243
C      -7.13461    6.58249    6.43242
C       6.27059    2.64878   -1.14243
C       6.89871   -4.60802   -8.01797
C      -6.03469   -0.67431    2.72798
C      -6.89871    4.60802    8.01797
C       6.03469    0.67431   -2.72798
C       6.17486   -5.61327   -7.08404
C      -5.31084   -1.67956    1.79405
C      -6.17486    5.61327    7.08404
C       5.31084    1.67956   -1.79405
C       0.89970   -1.27768   -2.70024
C      -0.03568    2.65602   -2.58975
C      -0.89970    1.27768    2.70024
C       0.03568   -2.65602    2.58975
C       2.55284   -0.76373   -4.56264
C      -1.68882    3.16997   -0.72736
C      -2.55284    0.76373    4.56264
C       1.68882   -3.16997    0.72736
C       1.87078   -1.89423   -3.74284
C      -1.00676    2.03947   -1.54715
C      -1.87078    1.89423    3.74284
C       1.00676   -2.03947    1.54715
C       2.95092   -2.79517   -3.07500
C      -2.08690    1.13853   -2.21499
C      -2.95092    2.79517    3.07500
C       2.08690   -1.13853    2.21499
C       5.91379   -3.85591   -5.25335
C      -5.04977    0.07779   -0.03664
C      -5.91379    3.85591    5.25335
C       5.04977   -0.07779    0.03664
C       5.14137   -3.18983   -4.29336
C      -4.27736    0.74387   -0.99663
C      -5.14137    3.18983    4.29336
C       4.27736   -0.74387    0.99663
C       5.35500   -4.88792   -6.03113
C      -4.49098   -0.95422    0.74113
C      -5.35500    4.88792    6.03113
C       4.49098    0.95422   -0.74113
C       4.00719   -5.22988   -5.83128
C      -3.14318   -1.29618    0.54129
C      -4.00719    5.22988    5.83128
C       3.14318    1.29618   -0.54129
C       3.79327   -3.54373   -4.08689
C      -2.92925    0.38997   -1.20311
C      -3.79327    3.54373    4.08689
C       2.92925   -0.38997    1.20311
C       3.23273   -4.56598   -4.87126
C      -2.36871   -0.63228   -0.41873
C      -3.23273    4.56598    4.87126
C       2.36871    0.63228    0.41873
H       7.28890   -8.46587   -5.75793
H      -6.42489   -4.53216    0.46794
H      -7.28890    8.46587    5.75793
H       6.42489    4.53216   -0.46794
H       7.59691   -3.98836   -7.45328
H      -6.73289   -0.05465    2.16328
H      -7.59691    3.98836    7.45328
H       6.73289    0.05465   -2.16328
H       7.45176   -5.15282   -8.78694
H      -6.58774   -1.21911    3.49695
H      -7.45176    5.15282    8.78694
H       6.58774    1.21911   -3.49695
H       6.16566   -3.96165   -8.50515
H      -5.30164   -0.02794    3.21515
H      -6.16566    3.96165    8.50515
H       5.30164    0.02794   -3.21515
H       5.57209   -6.42021   -7.50824
H      -4.70807   -2.48650    2.21824
H      -5.57209    6.42021    7.50824
H       4.70807    2.48650   -2.21824
H       0.18615   -0.62230   -3.20276
H       0.67787    3.31139   -2.08723
H      -0.18615    0.62230    3.20276
H      -0.67787   -3.31139    2.08723
H       0.34358   -2.06467   -2.19307
H       0.52043    1.86903   -3.09692
H      -0.34358    2.06467    2.19307
H      -0.52043   -1.86903    3.09692
H       1.45491   -0.69822   -1.96431
H      -0.59089    3.23548   -3.32568
H      -1.45491    0.69822    1.96431
H       0.59089   -3.23548    3.32568
H       3.20691   -1.20264   -5.32161
H      -2.34289    2.73107    0.03161
H      -3.20691    1.20264    5.32161
H       2.34289   -2.73107   -0.03161
H       1.79680   -0.15834   -5.06232
H      -0.93278    3.77537   -0.22768
H      -1.79680    0.15834    5.06232
H       0.93278   -3.77537    0.22768
H       3.14371   -0.12765   -3.91164
H      -2.27970    3.80605   -1.37836
H      -3.14371    0.12765    3.91164
H       2.27970   -3.80605    1.37836
H       2.36872   -1.19284   -4.41805
H      -1.50471    2.74086   -0.87195
H      -2.36872    1.19284    4.41805
H       1.50471   -2.74086    0.87195
H       2.07219   -3.39004   -2.82057
H      -1.20817    0.54366   -2.46942
H      -2.07219    3.39004    2.82057
H       1.20817   -0.54366    2.46942
H       3.54506   -2.67048   -2.16174
H      -2.68104    1.26322   -3.12825
H      -3.54506    2.67048    2.16174
H       2.68104   -1.26322    3.12825
H       6.91607   -3.57073   -5.38995
H      -6.05205    0.36297    0.09996
H      -6.91607    3.57073    5.38995
H       6.05205   -0.36297   -0.09996
H       5.57392   -2.41901   -3.72531
H      -4.70990    1.51469   -1.56469
H      -5.57392    2.41901    3.72531
H       4.70990   -1.51469    1.56469
H       3.56431   -5.99114   -6.40776
H      -2.70030   -2.05743    1.11777
H      -3.56431    5.99114    6.40776
H       2.70030    2.05743   -1.11777
H       2.22626   -4.83504   -4.74317
H      -1.36224   -0.90134   -0.54682
H      -2.22626    4.83504    4.74317
H       1.36224    0.90134    0.54682
O       8.29801   -6.26629   -6.19598
O      -7.43399   -2.33258    0.90598
O      -8.29801    6.26629    6.19598
O       7.43399    2.33258   -0.90598
O       6.71162   -7.83307   -6.14599
O      -5.84760   -3.89937    0.85599
O      -6.71162    7.83307    6.14599
O       5.84760    3.89937   -0.85599
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13461   -6.58249   -6.43242
C      -6.27059   -2.64878    1.14243
C      -7.13461    6.58249    6.43242
C       6.27059    2.64878   -1.14243
C       6.89871   -4.60802   -8.01797
C      -6.03469   -0.67431    2.72798
C      -6.89871    4.60802    8.01797
C       6.03469    0.67431   -2.72798
C       6.17486   -5.61327   -7.08404
C      -5.31084   -1.67956    1.79405
C      -6.17486    5.61327    7.08404
C       5.31084    1.67956   -1.79405
C       0.90830   -1.26637   -2.69897
C      -0.04428    2.66733   -2.59102
C      -0.90830    1.26637    2.69897
C       0.04428   -2.66733    2.59102
C       2.55284   -0.77233   -4.57433
C      -1.68883    3.16137   -0.71567
C      -2.55284    0.77233    4.57433
C       1.68883   -3.16137    0.71567
C       1.87078   -1.89423   -3.74284
C      -1.00676    2.03947   -1.54715
C      -1.87078    1.89423    3.74284
C       1.00676   -2.03947    1.54715
C       2.95092   -2.79517   -3.07500
C      -2.08690    1.13853   -2.21499
C      -2.95092    2.79517    3.07500
C       2.08690   -1.13853    2.21499
C       5.91379   -3.85591   -5.25335
C      -5.04977    0.07779   -0.03664
C      -5.91379    3.85591    5.25335
C       5.04977   -0.07779    0.03664
C       5.14137   -3.18983   -4.29336
C      -4.27736    0.74387   -0.99663
C      -5.14137    3.18983    4.29336
C       4.27736   -0.74387    0.99663
C       5.35500   -4.88792   -6.03113
C      -4.49098   -0.95422    0.74113
C      -5.35500    4.88792    6.03113
C       4.49098    0.95422   -0.74113
C       4.00719   -5.22988   -5.83128
C      -3.14318   -1.29618    0.54129
C      -4.00719    5.22988    5.83128
C       3.14318    1.29618   -0.54129
C       3.79327   -3.54373   -4.08689
C      -2.92925    0.38997   -1.20311
C      -3.79327    3.54373    4.08689
C       2.92925   -0.38997    1.20311
C       3.23273   -4.56598   -4.87126
C      -2.36871   -0.63228   -0.41873
C      -3.23273    4.56598    4.87126
C       2.36871    0.63228    0.41873
H       7.28890   -8.46587   -5.75793
H      -6.42489   -4.53216    0.46794
H      -7.28890    8.46587    5.75793
H       6.42489    4.53216   -0.46794
H       7.59691   -3.98836   -7.45328
H      -6.73289   -0.05465    2.16328
H      -7.59691    3.98836    7.45328
H       6.73289    0.05465   -2.16328
H       7.45176   -5.15282   -8.78694
H      -6.58774   -1.21911    3.49695
H      -7.45176    5.15282    8.78694
H       6.58774    1.21911   -3.49695
H       6.16566   -3.96165   -8.50515
H      -5.30164   -0.02794    3.21515
H      -6.16566    3.96165    8.50515
H       5.30164    0.02794   -3.21515
H       5.57209   -6.42021   -7.50824
H      -4.70807   -2.48650    2.21824
H      -5.57209    6.42021    7.50824
H       4.70807    2.48650   -2.21824
H       0.19465   -0.61141   -3.20190
H       0.66936    3.32229   -2.08809
H      -0.19465    0.61141    3.20190
H      -0.66936   -3.32229    2.08809
H       0.35178   -2.04745   -2.18319
H       0.51224    1.88624   -3.10680
H      -0.35178    2.04745    2.18319
H      -0.51224   -1.88624    3.10680
H       1.47020   -0.68423   -1.97026
H      -0.60618    3.24946   -3.31974
H      -1.47020    0.68423    1.97026
H       0.60618   -3.24946    3.31974
H       3.20065   -1.21925   -5.33399
H      -2.33664    2.71445    0.04399
H      -3.20065    1.21925    5.33399
H       2.33664   -2.71445   -0.04399
H       1.79651   -0.16716   -5.07383
H      -0.93249    3.76654   -0.21617
H      -1.79651    0.16716    5.07383
H       0.93249   -3.76654    0.21617
H       3.15015   -0.13432   -3.93114
H      -2.28614    3.79938   -1.35886
H      -3.15015    0.13432    3.93114
H       2.28614   -3.79938    1.35886
H       2.36872   -1.19284   -4.41805
H      -1.50471    2.74086   -0.87195
H      -2.36872    1.19284    4.41805
H       1.50471   -2.74086    0.87195
H       2.07219   -3.39004   -2.82057
H      -1.20817    0.54366   -2.46942
H      -2.07219    3.39004    2.82057
H       1.20817   -0.54366    2.46942
H       3.54506   -2.67048   -2.16174
H      -2.68104    1.26322   -3.12825
H      -3.54506    2.67048    2.16174
H       2.68104   -1.26322    3.12825
H       6.91607   -3.57073   -5.38995
H      -6.05205    0.36297    0.09996
H      -6.91607    3.57073    5.38995
H       6.05205   -0.36297   -0.09996
H       5.57392   -2.41901   -3.72531
H      -4.70990    1.51469   -1.56469
H      -5.57392    2.41901    3.72531
H       4.70990   -1.51469    1.56469
H       3.56431   -5.99114   -6.40776
H      -2.70030   -2.05743    1.11777
H      -3.56431    5.99114    6.40776
H       2.70030    2.05743   -1.11777
H       2.22626   -4.83504   -4.74317
H      -1.36224   -0.90134   -0.54682
H      -2.22626    4.83504    4.74317
H       1.36224    0.90134    0.54682
O       8.29801   -6.26629   -6.19598
O      -7.43399   -2.33258    0.90598
O      -8.29801    6.26629    6.19598
O       7.43399    2.33258   -0.90598
O       6.71162   -7.83307   -6.14599
O      -5.84760   -3.89937    0.85599
O      -6.71162    7.83307    6.14599
O       5.84760    3.89937   -0.85599
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13461   -6.58249   -6.43242
C      -6.27059   -2.64878    1.14243
C      -7.13461    6.58249    6.43242
C       6.27059    2.64878   -1.14243
C       6.89871   -4.60802   -8.01797
C      -6.03469   -0.67431    2.72798
C      -6.89871    4.60802    8.01797
C       6.03469    0.67431   -2.72798
C       6.17486   -5.61327   -7.08404
C      -5.31084   -1.67956    1.79405
C      -6.17486    5.61327    7.08404
C       5.31084    1.67956   -1.79405
C       0.91447   -1.25828   -2.69814
C      -0.05046    2.67541   -2.59185
C      -0.91447    1.25828    2.69814
C       0.05046   -2.67541    2.59185
C       2.55277   -0.77854   -4.58266
C      -1.68875    3.15517   -0.70733
C      -2.55277    0.77854    4.58266
C       1.68875   -3.15517    0.70733
C       1.87078   -1.89423   -3.74284
C      -1.00676    2.03947   -1.54715
C      -1.87078    1.89423    3.74284
C       1.00676   -2.03947    1.54715
C       2.95092   -2.79517   -3.07500
C      -2.08690    1.13853   -2.21499
C      -2.95092    2.79517    3.07500
C       2.08690   -1.13853    2.21499
C       5.91379   -3.85591   -5.25335
C      -5.04977    0.07779   -0.03664
C      -5.91379    3.85591    5.25335
C       5.04977   -0.07779    0.03664
C       5.14137   -3.18983   -4.29336
C      -4.27736    0.74387   -0.99663
C      -5.14137    3.18983    4.29336
C       4.27736   -0.74387    0.99663
C       5.35500   -4.88792   -6.03113
C      -4.49098   -0.95422    0.74113
C      -5.35500    4.88792    6.03113
C       4.49098    0.95422   -0.74113
C       4.00719   -5.22988   -5.83128
C      -3.14318   -1.29618    0.54129
C      -4.00719    5.22988    5.83128
C       3.14318    1.29618   -0.54129
C       3.79327   -3.54373   -4.08689
C      -2.92925    0.38997   -1.20311
C      -3.79327    3.54373    4.08689
C       2.92925   -0.38997    1.20311
C       3.23273   -4.56598   -4.87126
C      -2.36871   -0.63228   -0.41873
C      -3.23273    4.56598    4.87126
C       2.36871    0.63228    0.41873
H       7.28890   -8.46587   -5.75793
H      -6.42489   -4.53216    0.46794
H      -7.28890    8.46587    5.75793
H       6.42489    4.53216   -0.46794
H       7.59691   -3.98836   -7.45328
H      -6.73289   -0.05465    2.16328
H      -7.59691    3.98836    7.45328
H       6.73289    0.05465   -2.16328
H       7.45176   -5.15282   -8.78694
H      -6.58774   -1.21911    3.49695
H      -7.45176    5.15282    8.78694
H       6.58774    1.21911   -3.49695
H       6.16566   -3.96165   -8.50515
H      -5.30164   -0.02794    3.21515
H      -6.16566    3.96165    8.50515
H       5.30164    0.02794   -3.21515
H       5.57209   -6.42021   -7.50824
H      -4.70807   -2.48650    2.21824
H      -5.57209    6.42021    7.50824
H       4.70807    2.48650   -2.21824
H       0.20076   -0.60363   -3.20137
H       0.66326    3.33007   -2.08863
H      -0.20076    0.60363    3.20137
H      -0.66326   -3.33007    2.08863
H       0.35771   -2.03510   -2.17622
H       0.50631    1.89859   -3.11377
H      -0.35771    2.03510    2.17622
H      -0.50631   -1.89859    3.11377
H       1.48114   -0.67428   -1.97463
H      -0.61712    3.25941   -3.31537
H      -1.48114    0.67428    1.97463
H       0.61712   -3.25941    3.31537
H       3.19608   -1.23118   -5.34276
H      -2.33206    2.70252    0.05276
H      -3.19608    1.23118    5.34276
H       2.33206   -2.70252   -0.05276
H       1.79622   -0.17352   -5.08203
H      -0.93220    3.76018   -0.20796
H      -1.79622    0.17352    5.08203
H       0.93220   -3.76018    0.20796
H       3.15466   -0.13920   -3.94509
H      -2.29064    3.79450   -1.34490
H      -3.15466    0.13920    3.94509
H       2.29064   -3.79450    1.34490
H       2.36872   -1.19284   -4.41805
H      -1.50471    2.74086   -0.87195
H      -2.36872    1.19284    4.41805
H       1.50471   -2.74086    0.87195
H       2.07219   -3.39004   -2.82057
H      -1.20817    0.54366   -2.46942
H      -2.07219    3.39004    2.82057
H       1.20817   -0.54366    2.46942
H       3.54506   -2.67048   -2.16174
H      -2.68104    1.26322   -3.12825
H      -3.54506    2.67048    2.16174
H       2.68104   -1.26322    3.12825
H       6.91607   -3.57073   -5.38995
H      -6.05205    0.36297    0.09996
H      -6.91607    3.57073    5.38995
H       6.05205   -0.36297   -0.09996
H       5.57392   -2.41901   -3.72531
H      -4.70990    1.51469   -1.56469
H      -5.57392    2.41901    3.72531
H       4.70990   -1.51469    1.56469
H       3.56431   -5.99114   -6.40776
H      -2.70030   -2.05743    1.11777
H      -3.56431    5.99114    6.40776
H       2.70030    2.05743   -1.11777
H       2.22626   -4.83504   -4.74317
H      -1.36224   -0.90134   -0.54682
H      -2.22626    4.83504    4.74317
H       1.36224    0.90134    0.54682
O       8.29801   -6.26629   -6.19598
O      -7.43399   -2.33258    0.90598
O      -8.29801    6.26629    6.19598
O       7.43399    2.33258   -0.90598
O       6.71162   -7.83307   -6.14599
O      -5.84760   -3.89937    0.85599
O      -6.71162    7.83307    6.14599
O       5.84760    3.89937   -0.85599
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.13461   -6.58249   -6.43242
C      -6.27059   -2.64878    1.14243
C      -7.13461    6.58249    6.43242
C       6.27059    2.64878   -1.14243
C       6.89871   -4.60802   -8.01797
C      -6.03469   -0.67431    2.72798
C      -6.89871    4.60802    8.01797
C       6.03469    0.67431   -2.72798
C       6.17486   -5.61327   -7.08404
C      -5.31084   -1.67956    1.79405
C      -6.17486    5.61327    7.08404
C       5.31084    1.67956   -1.79405
C       0.91280   -1.26037   -2.69835
C      -0.04879    2.67333   -2.59165
C      -0.91280    1.26037    2.69835
C       0.04879   -2.67333    2.59165
C       2.55273   -0.77693   -4.58051
C      -1.68871    3.15677   -0.70949
C      -2.55273    0.77693    4.58051
C       1.68871   -3.15677    0.70949
C       1.87078   -1.89423   -3.74284
C      -1.00676    2.03947   -1.54715
C      -1.87078    1.89423    3.74284
C       1.00676   -2.03947    1.54715
C       2.95092   -2.79517   -3.07500
C      -2.08690    1.13853   -2.21499
C      -2.95092    2.79517    3.07500
C       2.08690   -1.13853    2.21499
C       5.91379   -3.85591   -5.25335
C      -5.04977    0.07779   -0.03664
C      -5.91379    3.85591    5.25335
C       5.04977   -0.07779    0.03664
C       5.14137   -3.18983   -4.29336
C      -4.27736    0.74387   -0.99663
C      -5.14137    3.18983    4.29336
C       4.27736   -0.74387    0.99663
C       5.35500   -4.88792   -6.03113
C      -4.49098   -0.95422    0.74113
C      -5.35500    4.88792    6.03113
C       4.49098    0.95422   -0.74113
C       4.00719   -5.22988   -5.83128
C      -3.14318   -1.29618    0.54129
C      -4.00719    5.22988    5.83128
C       3.14318    1.29618   -0.54129
C       3.79327   -3.54373   -4.08689
C      -2.92925    0.38997   -1.20311
C      -3.79327    3.54373    4.08689
C       2.92925   -0.38997    1.20311
C       3.23273   -4.56598   -4.87126
C      -2.36871   -0.63228   -0.41873
C      -3.23273    4.56598    4.87126
C       2.36871    0.63228    0.41873
H       7.28890   -8.46587   -5.75793
H      -6.42489   -4.53216    0.46794
H      -7.28890    8.46587    5.75793
H       6.42489    4.53216   -0.46794
H       7.59691   -3.98836   -7.45328
H      -6.73289   -0.05465    2.16328
H      -7.59691    3.98836    7.45328
H       6.73289    0.05465   -2.16328
H       7.45176   -5.15282   -8.78694
H      -6.58774   -1.21911    3.49695
H      -7.45176    5.15282    8.78694
H       6.58774    1.21911   -3.49695
H       6.16566   -3.96165   -8.50515
H      -5.30164   -0.02794    3.21515
H      -6.16566    3.96165    8.50515
H       5.30164    0.02794   -3.21515
H       5.57209   -6.42021   -7.50824
H      -4.70807   -2.48650    2.21824
H      -5.57209    6.42021    7.50824
H       4.70807    2.48650   -2.21824
H       0.19911   -0.60564   -3.20150
H       0.66491    3.32806   -2.08850
H      -0.19911    0.60564    3.20150
H      -0.66491   -3.32806    2.08850
H       0.35610   -2.03830   -2.17802
H       0.50792    1.89540   -3.11198
H      -0.35610    2.03830    2.17802
H      -0.50792   -1.89540    3.11198
H       1.47824   -0.67685   -1.97349
H      -0.61422    3.25685   -3.31651
H      -1.47824    0.67685    1.97349
H       0.61422   -3.25685    3.31651
H       3.19720   -1.22809   -5.34050
H      -2.33319    2.70561    0.05050
H      -3.19720    1.22809    5.34050
H       2.33319   -2.70561   -0.05050
H       1.79624   -0.17187   -5.07991
H      -0.93222    3.76183   -0.21008
H      -1.79624    0.17187    5.07991
H       0.93222   -3.76183    0.21008
H       3.15344   -0.13793   -3.94148
H      -2.28942    3.79577   -1.34851
H      -3.15344    0.13793    3.94148
H       2.28942   -3.79577    1.34851
H       2.36872   -1.19284   -4.41805
H      -1.50471    2.74086   -0.87195
H      -2.36872    1.19284    4.41805
H       1.50471   -2.74086    0.87195
H       2.07219   -3.39004   -2.82057
H      -1.20817    0.54366   -2.46942
H      -2.07219    3.39004    2.82057
H       1.20817   -0.54366    2.46942
H       3.54506   -2.67048   -2.16174
H      -2.68104    1.26322   -3.12825
H      -3.54506    2.67048    2.16174
H       2.68104   -1.26322    3.12825
H       6.91607   -3.57073   -5.38995
H      -6.05205    0.36297    0.09996
H      -6.91607    3.57073    5.38995
H       6.05205   -0.36297   -0.09996
H       5.57392   -2.41901   -3.72531
H      -4.70990    1.51469   -1.56469
H      -5.57392    2.41901    3.72531
H       4.70990   -1.51469    1.56469
H       3.56431   -5.99114   -6.40776
H      -2.70030   -2.05743    1.11777
H      -3.56431    5.99114    6.40776
H       2.70030    2.05743   -1.11777
H       2.22626   -4.83504   -4.74317
H      -1.36224   -0.90134   -0.54682
H      -2.22626    4.83504    4.74317
H       1.36224    0.90134    0.54682
O       8.29801   -6.26629   -6.19598
O      -7.43399   -2.33258    0.90598
O      -8.29801    6.26629    6.19598
O       7.43399    2.33258   -0.90598
O       6.71162   -7.83307   -6.14599
O      -5.84760   -3.89937    0.85599
O      -6.71162    7.83307    6.14599
O       5.84760    3.89937   -0.85599
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.14060   -6.62443   -6.41395
C      -6.27658   -2.69072    1.12395
C      -7.14060    6.62443    6.41395
C       6.27658    2.69072   -1.12395
C       6.90470   -4.64996   -7.99950
C      -6.04068   -0.71625    2.70951
C      -6.90470    4.64996    7.99950
C       6.04068    0.71625   -2.70951
C       6.18085   -5.65521   -7.06557
C      -5.31683   -1.72150    1.77557
C      -6.18085    5.65521    7.06557
C       5.31683    1.72150   -1.77557
C       0.91879   -1.30231   -2.67987
C      -0.05477    2.63139   -2.61012
C      -0.91879    1.30231    2.67987
C       0.05477   -2.63139    2.61012
C       2.55872   -0.81887   -4.56203
C      -1.69470    3.11483   -0.72796
C      -2.55872    0.81887    4.56203
C       1.69470   -3.11483    0.72796
C       1.87677   -1.93617   -3.72437
C      -1.01275    1.99753   -1.56563
C      -1.87677    1.93617    3.72437
C       1.01275   -1.99753    1.56563
C       2.95690   -2.83711   -3.05653
C      -2.09289    1.09659   -2.23347
C      -2.95690    2.83711    3.05653
C       2.09289   -1.09659    2.23347
C       5.91978   -3.89785   -5.23488
C      -5.05576    0.03585   -0.05512
C      -5.91978    3.89785    5.23488
C       5.05576   -0.03585    0.05512
C       5.14736   -3.23177   -4.27489
C      -4.28334    0.70193   -1.01511
C      -5.14736    3.23177    4.27489
C       4.28334   -0.70193    1.01511
C       5.36099   -4.92986   -6.01265
C      -4.49697   -0.99616    0.72266
C      -5.36099    4.92986    6.01265
C       4.49697    0.99616   -0.72266
C       4.01318   -5.27182   -5.81281
C      -3.14916   -1.33812    0.52281
C      -4.01318    5.27182    5.81281
C       3.14916    1.33812   -0.52281
C       3.79926   -3.58567   -4.06841
C      -2.93524    0.34803   -1.22158
C      -3.79926    3.58567    4.06841
C       2.93524   -0.34803    1.22158
C       3.23872   -4.60792   -4.85279
C      -2.37470   -0.67422   -0.43721
C      -3.23872    4.60792    4.85279
C       2.37470    0.67422    0.43721
H       7.29489   -8.50781   -5.73945
H      -6.43087   -4.57410    0.44946
H      -7.29489    8.50781    5.73945
H       6.43087    4.57410   -0.44946
H       7.60290   -4.03030   -7.43480
H      -6.73888   -0.09659    2.14481
H      -7.60290    4.03030    7.43480
H       6.73888    0.09659   -2.14481
H       7.45775   -5.19476   -8.76847
H      -6.59373   -1.26105    3.47847
H      -7.45775    5.19476    8.76847
H       6.59373    1.26105   -3.47847
H       6.17165   -4.00360   -8.48667
H      -5.30763   -0.06989    3.19668
H      -6.17165    4.00360    8.48667
H       5.30763    0.06989   -3.19668
H       5.57808   -6.46215   -7.48976
H      -4.71406   -2.52844    2.19977
H      -5.57808    6.46215    7.48976
H       4.71406    2.52844   -2.19977
H       0.20510   -0.64758   -3.18302
H       0.65892    3.28612   -2.10697
H      -0.20510    0.64758    3.18302
H      -0.65892   -3.28612    2.10697
H       0.36209   -2.08024   -2.15954
H       0.50193    1.85346   -3.13045
H      -0.36209    2.08024    2.15954
H      -0.50193   -1.85346    3.13045
H       1.48423   -0.71879   -1.95501
H      -0.62021    3.21491   -3.33498
H      -1.48423    0.71879    1.95501
H       0.62021   -3.21491    3.33498
H       3.20319   -1.27003   -5.32202
H      -2.33918    2.66367    0.03203
H      -3.20319    1.27003    5.32202
H       2.33918   -2.66367   -0.03203
H       1.80223   -0.21381   -5.06144
H      -0.93821    3.71989   -0.22856
H      -1.80223    0.21381    5.06144
H       0.93821   -3.71989    0.22856
H       3.15943   -0.17987   -3.92301
H      -2.29541    3.75383   -1.36699
H      -3.15943    0.17987    3.92301
H       2.29541   -3.75383    1.36699
H       2.37471   -1.23478   -4.39957
H      -1.51070    2.69892   -0.89042
H      -2.37471    1.23478    4.39957
H       1.51070   -2.69892    0.89042
H       2.07818   -3.43198   -2.80210
H      -1.21416    0.50172   -2.48790
H      -2.07818    3.43198    2.80210
H       1.21416   -0.50172    2.48790
H       3.55104   -2.71242   -2.14327
H      -2.68703    1.22128   -3.14673
H      -3.55104    2.71242    2.14327
H       2.68703   -1.22128    3.14673
H       6.92206   -3.61267   -5.37148
H      -6.05804    0.32103    0.08148
H      -6.92206    3.61267    5.37148
H       6.05804   -0.32103   -0.08148
H       5.57991   -2.46095   -3.70683
H      -4.71589    1.47275   -1.58316
H      -5.57991    2.46095    3.70683
H       4.71589   -1.47275    1.58316
H       3.57030   -6.03308   -6.38929
H      -2.70629   -2.09938    1.09929
H      -3.57030    6.03308    6.38929
H       2.70629    2.09938   -1.09929
H       2.23225   -4.87698   -4.72470
H      -1.36823   -0.94328   -0.56530
H      -2.23225    4.87698    4.72470
H       1.36823    0.94328    0.56530
O       8.30400   -6.30823   -6.17750
O      -7.43998   -2.37452    0.88751
O      -8.30400    6.30823    6.17750
O       7.43998    2.37452   -0.88751
O       6.71761   -7.87502   -6.12751
O      -5.85359   -3.94131    0.83752
O      -6.71761    7.87502    6.12751
O       5.85359    3.94131   -0.83752
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.14060   -6.62443   -6.41395
C      -6.27658   -2.69072    1.12395
C      -7.14060    6.62443    6.41395
C       6.27658    2.69072   -1.12395
C       6.90470   -4.64996   -7.99950
C      -6.04068   -0.71625    2.70951
C      -6.90470    4.64996    7.99950
C       6.04068    0.71625   -2.70951
C       6.18085   -5.65521   -7.06557
C      -5.31683   -1.72150    1.77557
C      -6.18085    5.65521    7.06557
C       5.31683    1.72150   -1.77557
C       0.91303   -1.30973   -2.68065
C      -0.04901    2.62397   -2.60935
C      -0.91303    1.30973    2.68065
C       0.04901   -2.62397    2.60935
C       2.55868   -0.81318   -4.55439
C      -1.69466    3.12052   -0.73561
C      -2.55868    0.81318    4.55439
C       1.69466   -3.12052    0.73561
C       1.87677   -1.93617   -3.72437
C      -1.01275    1.99753   -1.56563
C      -1.87677    1.93617    3.72437
C       1.01275   -1.99753    1.56563
C       2.95690   -2.83711   -3.05653
C      -2.09289    1.09659   -2.23347
C      -2.95690    2.83711    3.05653
C       2.09289   -1.09659    2.23347
C       5.91978   -3.89785   -5.23488
C      -5.05576    0.03585   -0.05512
C      -5.91978    3.89785    5.23488
C       5.05576   -0.03585    0.05512
C       5.14736   -3.23177   -4.27489
C      -4.28334    0.70193   -1.01511
C      -5.14736    3.23177    4.27489
C       4.28334   -0.70193    1.01511
C       5.36099   -4.92986   -6.01265
C      -4.49697   -0.99616    0.72266
C      -5.36099    4.92986    6.01265
C       4.49697    0.99616   -0.72266
C       4.01318   -5.27182   -5.81281
C      -3.14916   -1.33812    0.52281
C      -4.01318    5.27182    5.81281
C       3.14916    1.33812   -0.52281
C       3.79926   -3.58567   -4.06841
C      -2.93524    0.34803   -1.22158
C      -3.79926    3.58567    4.06841
C       2.93524   -0.34803    1.22158
C       3.23872   -4.60792   -4.85279
C      -2.37470   -0.67422   -0.43721
C      -3.23872    4.60792    4.85279
C       2.37470    0.67422    0.43721
H       7.29489   -8.50781   -5.73945
H      -6.43087   -4.57410    0.44946
H      -7.29489    8.50781    5.73945
H       6.43087    4.57410   -0.44946
H       7.60290   -4.03030   -7.43480
H      -6.73888   -0.09659    2.14481
H      -7.60290    4.03030    7.43480
H       6.73888    0.09659   -2.14481
H       7.45775   -5.19476   -8.76847
H      -6.59373   -1.26105    3.47847
H      -7.45775    5.19476    8.76847
H       6.59373    1.26105   -3.47847
H       6.17165   -4.00360   -8.48667
H      -5.30763   -0.06989    3.19668
H      -6.17165    4.00360    8.48667
H       5.30763    0.06989   -3.19668
H       5.57808   -6.46215   -7.48976
H      -4.71406   -2.52844    2.19977
H      -5.57808    6.46215    7.48976
H       4.71406    2.52844   -2.19977
H       0.19940   -0.65472   -3.18353
H       0.66462    3.27898   -2.10647
H      -0.19940    0.65472    3.18353
H      -0.66462   -3.27898    2.10647
H       0.35655   -2.09156   -2.16595
H       0.50746    1.84214   -3.12405
H      -0.35655    2.09156    2.16595
H      -0.50746   -1.84214    3.12405
H       1.47408   -0.72792   -1.95102
H      -0.61007    3.20577   -3.33897
H      -1.47408    0.72792    1.95102
H       0.61007   -3.20577    3.33897
H       3.20728   -1.25910   -5.31396
H      -2.34327    2.67460    0.02397
H      -3.20728    1.25910    5.31396
H       2.34327   -2.67460   -0.02397
H       1.80238   -0.20798   -5.05391
H      -0.93836    3.72572   -0.23609
H      -1.80238    0.20798    5.05391
H       0.93836   -3.72572    0.23609
H       3.15518   -0.17542   -3.91021
H      -2.29116    3.75828   -1.37979
H      -3.15518    0.17542    3.91021
H       2.29116   -3.75828    1.37979
H       2.37471   -1.23478   -4.39957
H      -1.51070    2.69892   -0.89042
H      -2.37471    1.23478    4.39957
H       1.51070   -2.69892    0.89042
H       2.07818   -3.43198   -2.80210
H      -1.21416    0.50172   -2.48790
H      -2.07818    3.43198    2.80210
H       1.21416   -0.50172    2.48790
H       3.55104   -2.71242   -2.14327
H      -2.68703    1.22128   -3.14673
H      -3.55104    2.71242    2.14327
H       2.68703   -1.22128    3.14673
H       6.92206   -3.61267   -5.37148
H      -6.05804    0.32103    0.08148
H      -6.92206    3.61267    5.37148
H       6.05804   -0.32103   -0.08148
H       5.57991   -2.46095   -3.70683
H      -4.71589    1.47275   -1.58316
H      -5.57991    2.46095    3.70683
H       4.71589   -1.47275    1.58316
H       3.57030   -6.03308   -6.38929
H      -2.70629   -2.09938    1.09929
H      -3.57030    6.03308    6.38929
H       2.70629    2.09938   -1.09929
H       2.23225   -4.87698   -4.72470
H      -1.36823   -0.94328   -0.56530
H      -2.23225    4.87698    4.72470
H       1.36823    0.94328    0.56530
O       8.30400   -6.30823   -6.17750
O      -7.43998   -2.37452    0.88751
O      -8.30400    6.30823    6.17750
O       7.43998    2.37452   -0.88751
O       6.71761   -7.87502   -6.12751
O      -5.85359   -3.94131    0.83752
O      -6.71761    7.87502    6.12751
O       5.85359    3.94131   -0.83752
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.14060   -6.62443   -6.41395
C      -6.27658   -2.69072    1.12395
C      -7.14060    6.62443    6.41395
C       6.27658    2.69072   -1.12395
C       6.90470   -4.64996   -7.99950
C      -6.04068   -0.71625    2.70951
C      -6.90470    4.64996    7.99950
C       6.04068    0.71625   -2.70951
C       6.18085   -5.65521   -7.06557
C      -5.31683   -1.72150    1.77557
C      -6.18085    5.65521    7.06557
C       5.31683    1.72150   -1.77557
C       0.91484   -1.30730   -2.68039
C      -0.05082    2.62640   -2.60961
C      -0.91484    1.30730    2.68039
C       0.05082   -2.62640    2.60961
C       2.55863   -0.81504   -4.55689
C      -1.69461    3.11866   -0.73310
C      -2.55863    0.81504    4.55689
C       1.69461   -3.11866    0.73310
C       1.87677   -1.93617   -3.72437
C      -1.01275    1.99753   -1.56563
C      -1.87677    1.93617    3.72437
C       1.01275   -1.99753    1.56563
C       2.95690   -2.83711   -3.05653
C      -2.09289    1.09659   -2.23347
C      -2.95690    2.83711    3.05653
C       2.09289   -1.09659    2.23347
C       5.91978   -3.89785   -5.23488
C      -5.05576    0.03585   -0.05512
C      -5.91978    3.89785    5.23488
C       5.05576   -0.03585    0.05512
C       5.14736   -3.23177   -4.27489
C      -4.28334    0.70193   -1.01511
C      -5.14736    3.23177    4.27489
C       4.28334   -0.70193    1.01511
C       5.36099   -4.92986   -6.01265
C      -4.49697   -0.99616    0.72266
C      -5.36099    4.92986    6.01265
C       4.49697    0.99616   -0.72266
C       4.01318   -5.27182   -5.81281
C      -3.14916   -1.33812    0.52281
C      -4.01318    5.27182    5.81281
C       3.14916    1.33812   -0.52281
C       3.79926   -3.58567   -4.06841
C      -2.93524    0.34803   -1.22158
C      -3.79926    3.58567    4.06841
C       2.93524   -0.34803    1.22158
C       3.23872   -4.60792   -4.85279
C      -2.37470   -0.67422   -0.43721
C      -3.23872    4.60792    4.85279
C       2.37470    0.67422    0.43721
H       7.29489   -8.50781   -5.73945
H      -6.43087   -4.57410    0.44946
H      -7.29489    8.50781    5.73945
H       6.43087    4.57410   -0.44946
H       7.60290   -4.03030   -7.43480
H      -6.73888   -0.09659    2.14481
H      -7.60290    4.03030    7.43480
H       6.73888    0.09659   -2.14481
H       7.45775   -5.19476   -8.76847
H      -6.59373   -1.26105    3.47847
H      -7.45775    5.19476    8.76847
H       6.59373    1.26105   -3.47847
H       6.17165   -4.00360   -8.48667
H      -5.30763   -0.06989    3.19668
H      -6.17165    4.00360    8.48667
H       5.30763    0.06989   -3.19668
H       5.57808   -6.46215   -7.48976
H      -4.71406   -2.52844    2.19977
H      -5.57808    6.46215    7.48976
H       4.71406    2.52844   -2.19977
H       0.20119   -0.65238   -3.18335
H       0.66283    3.28132   -2.10664
H      -0.20119    0.65238    3.18335
H      -0.66283   -3.28132    2.10664
H       0.35829   -2.08785   -2.16384
H       0.50573    1.84585   -3.12615
H      -0.35829    2.08785    2.16384
H      -0.50573   -1.84585    3.12615
H       1.47733   -0.72492   -1.95232
H      -0.61331    3.20877   -3.33767
H      -1.47733    0.72492    1.95232
H       0.61331   -3.20877    3.33767
H       3.20588   -1.26268   -5.31661
H      -2.34187    2.67102    0.02662
H      -3.20588    1.26268    5.31661
H       2.34187   -2.67102   -0.02662
H       1.80227   -0.20989   -5.05638
H      -0.93825    3.72381   -0.23362
H      -1.80227    0.20989    5.05638
H       0.93825   -3.72381    0.23362
H       3.15651   -0.17686   -3.91440
H      -2.29249    3.75684   -1.37559
H      -3.15651    0.17686    3.91440
H       2.29249   -3.75684    1.37559
H       2.37471   -1.23478   -4.39957
H      -1.51070    2.69892   -0.89042
H      -2.37471    1.23478    4.39957
H       1.51070   -2.69892    0.89042
H       2.07818   -3.43198   -2.80210
H      -1.21416    0.50172   -2.48790
H      -2.07818    3.43198    2.80210
H       1.21416   -0.50172    2.48790
H       3.55104   -2.71242   -2.14327
H      -2.68703    1.22128   -3.14673
H      -3.55104    2.71242    2.14327
H       2.68703   -1.22128    3.14673
H       6.92206   -3.61267   -5.37148
H      -6.05804    0.32103    0.08148
H      -6.92206    3.61267    5.37148
H       6.05804   -0.32103   -0.08148
H       5.57991   -2.46095   -3.70683
H      -4.71589    1.47275   -1.58316
H      -5.57991    2.46095    3.70683
H       4.71589   -1.47275    1.58316
H       3.57030   -6.03308   -6.38929
H      -2.70629   -2.09938    1.09929
H      -3.57030    6.03308    6.38929
H       2.70629    2.09938   -1.09929
H       2.23225   -4.87698   -4.72470
H      -1.36823   -0.94328   -0.56530
H      -2.23225    4.87698    4.72470
H       1.36823    0.94328    0.56530
O       8.30400   -6.30823   -6.17750
O      -7.43998   -2.37452    0.88751
O      -8.30400    6.30823    6.17750
O       7.43998    2.37452   -0.88751
O       6.71761   -7.87502   -6.12751
O      -5.85359   -3.94131    0.83752
O      -6.71761    7.87502    6.12751
O       5.85359    3.94131   -0.83752
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.15248   -6.60229   -6.39552
C      -6.28847   -2.66858    1.10553
C      -7.15248    6.60229    6.39552
C       6.28847    2.66858   -1.10553
C       6.91658   -4.62782   -7.98108
C      -6.05257   -0.69411    2.69108
C      -6.91658    4.62782    7.98108
C       6.05257    0.69411   -2.69108
C       6.19274   -5.63307   -7.04715
C      -5.32872   -1.69936    1.75715
C      -6.19274    5.63307    7.04715
C       5.32872    1.69936   -1.75715
C       0.92673   -1.28515   -2.66197
C      -0.06271    2.64854   -2.62803
C      -0.92673    1.28515    2.66197
C       0.06271   -2.64854    2.62803
C       2.57051   -0.79290   -4.53847
C      -1.70650    3.14080   -0.75152
C      -2.57051    0.79290    4.53847
C       1.70650   -3.14080    0.75152
C       1.88866   -1.91403   -3.70594
C      -1.02464    2.01967   -1.58405
C      -1.88866    1.91403    3.70594
C       1.02464   -2.01967    1.58405
C       2.96879   -2.81497   -3.03811
C      -2.10477    1.11873   -2.25189
C      -2.96879    2.81497    3.03811
C       2.10477   -1.11873    2.25189
C       5.93166   -3.87571   -5.21645
C      -5.06765    0.05799   -0.07354
C      -5.93166    3.87571    5.21645
C       5.06765   -0.05799    0.07354
C       5.15925   -3.20963   -4.25646
C      -4.29523    0.72407   -1.03353
C      -5.15925    3.20963    4.25646
C       4.29523   -0.72407    1.03353
C       5.37288   -4.90772   -5.99423
C      -4.50886   -0.97402    0.70424
C      -5.37288    4.90772    5.99423
C       4.50886    0.97402   -0.70424
C       4.02507   -5.24968   -5.79439
C      -3.16105   -1.31598    0.50439
C      -4.02507    5.24968    5.79439
C       3.16105    1.31598   -0.50439
C       3.81114   -3.56353   -4.04999
C      -2.94713    0.37017   -1.24000
C      -3.81114    3.56353    4.04999
C       2.94713   -0.37017    1.24000
C       3.25060   -4.58578   -4.83436
C      -2.38659   -0.65208   -0.45563
C      -3.25060    4.58578    4.83436
C       2.38659    0.65208    0.45563
H       7.30678   -8.48567   -5.72103
H      -6.44276   -4.55196    0.43104
H      -7.30678    8.48567    5.72103
H       6.44276    4.55196   -0.43104
H       7.61479   -4.00816   -7.41638
H      -6.75077   -0.07445    2.12639
H      -7.61479    4.00816    7.41638
H       6.75077    0.07445   -2.12639
H       7.46963   -5.17262   -8.75004
H      -6.60562   -1.23891    3.46005
H      -7.46963    5.17262    8.75004
H       6.60562    1.23891   -3.46005
H       6.18353   -3.98146   -8.46825
H      -5.31952   -0.04774    3.17826
H      -6.18353    3.98146    8.46825
H       5.31952    0.04774   -3.17826
H       5.58997   -6.44001   -7.47134
H      -4.72595   -2.50630    2.18135
H      -5.58997    6.44001    7.47134
H       4.72595    2.50630   -2.18135
H       0.21308   -0.63023   -3.16493
H       0.65094    3.30346   -2.12506
H      -0.21308    0.63023    3.16493
H      -0.65094   -3.30346    2.12506
H       0.37017   -2.06571   -2.14542
H       0.49385    1.86799   -3.14458
H      -0.37017    2.06571    2.14542
H      -0.49385   -1.86799    3.14458
H       1.48922   -0.70278   -1.93390
H      -0.62520    3.23092   -3.35610
H      -1.48922    0.70278    1.93390
H       0.62520   -3.23092    3.35610
H       3.21777   -1.24054   -5.29819
H      -2.35375    2.69317    0.00819
H      -3.21777    1.24054    5.29819
H       2.35375   -2.69317   -0.00819
H       1.81416   -0.18775   -5.03795
H      -0.95014    3.74595   -0.25204
H      -1.81416    0.18775    5.03795
H       0.95014   -3.74595    0.25204
H       3.16839   -0.15472   -3.89598
H      -2.30438    3.77898   -1.39401
H      -3.16839    0.15472    3.89598
H       2.30438   -3.77898    1.39401
H       2.38660   -1.21264   -4.38115
H      -1.52258    2.72106   -0.90884
H      -2.38660    1.21264    4.38115
H       1.52258   -2.72106    0.90884
H       2.09007   -3.40984   -2.78367
H      -1.22605    0.52386   -2.50632
H      -2.09007    3.40984    2.78367
H       1.22605   -0.52386    2.50632
H       3.56293   -2.69028   -2.12485
H      -2.69891    1.24342   -3.16515
H      -3.56293    2.69028    2.12485
H       2.69891   -1.24342    3.16515
H       6.93394   -3.59053   -5.35306
H      -6.06993    0.34317    0.06306
H      -6.93394    3.59053    5.35306
H       6.06993   -0.34317   -0.06306
H       5.59179   -2.43881   -3.68841
H      -4.72778    1.49489   -1.60158
H      -5.59179    2.43881    3.68841
H       4.72778   -1.49489    1.60158
H       3.58219   -6.01094   -6.37086
H      -2.71817   -2.07723    1.08087
H      -3.58219    6.01094    6.37086
H       2.71817    2.07723   -1.08087
H       2.24413   -4.85484   -4.70628
H      -1.38012   -0.92114   -0.58372
H      -2.24413    4.85484    4.70628
H       1.38012    0.92114    0.58372
O       8.31589   -6.28609   -6.15908
O      -7.45187   -2.35238    0.86909
O      -8.31589    6.28609    6.15908
O       7.45187    2.35238   -0.86909
O       6.72949   -7.85287   -6.10909
O      -5.86548   -3.91917    0.81910
O      -6.72949    7.85287    6.10909
O       5.86548    3.91917   -0.81910
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.16241   -6.61292   -6.45005
C      -6.29839   -2.67921    1.16006
C      -7.16241    6.61292    6.45005
C       6.29839    2.67921   -1.16006
C       6.92651   -4.63845   -8.03561
C      -6.06249   -0.70474    2.74561
C      -6.92651    4.63845    8.03561
C       6.06249    0.70474   -2.74561
C       6.20266   -5.64370   -7.10167
C      -5.33864   -1.70999    1.81168
C      -6.20266    5.64370    7.10167
C       5.33864    1.70999   -1.81168
C       0.93665   -1.29579   -2.71649
C      -0.07263    2.63791   -2.57350
C      -0.93665    1.29579    2.71649
C       0.07263   -2.63791    2.57350
C       2.58044   -0.80353   -4.59300
C      -1.71642    3.13017   -0.69700
C      -2.58044    0.80353    4.59300
C       1.71642   -3.13017    0.69700
C       1.89858   -1.92466   -3.76047
C      -1.03456    2.00904   -1.52952
C      -1.89858    1.92466    3.76047
C       1.03456   -2.00904    1.52952
C       2.97871   -2.82560   -3.09263
C      -2.11470    1.10810   -2.19736
C      -2.97871    2.82560    3.09263
C       2.11470   -1.10810    2.19736
C       5.94159   -3.88634   -5.27098
C      -5.07757    0.04736   -0.01901
C      -5.94159    3.88634    5.27098
C       5.07757   -0.04736    0.01901
C       5.16917   -3.22026   -4.31099
C      -4.30515    0.71344   -0.97900
C      -5.16917    3.22026    4.31099
C       4.30515   -0.71344    0.97900
C       5.38280   -4.91835   -6.04876
C      -4.51878   -0.98465    0.75876
C      -5.38280    4.91835    6.04876
C       4.51878    0.98465   -0.75876
C       4.03499   -5.26032   -5.84891
C      -3.17097   -1.32661    0.55892
C      -4.03499    5.26032    5.84891
C       3.17097    1.32661   -0.55892
C       3.82107   -3.57416   -4.10452
C      -2.95705    0.35954   -1.18548
C      -3.82107    3.57416    4.10452
C       2.95705   -0.35954    1.18548
C       3.26053   -4.59641   -4.88889
C      -2.39651   -0.66271   -0.40110
C      -3.26053    4.59641    4.88889
C       2.39651    0.66271    0.40110
H       7.31670   -8.49630   -5.77556
H      -6.45268   -4.56260    0.48557
H      -7.31670    8.49630    5.77556
H       6.45268    4.56260   -0.48557
H       7.62471   -4.01879   -7.47091
H      -6.76069   -0.08508    2.18091
H      -7.62471    4.01879    7.47091
H       6.76069    0.08508   -2.18091
H       7.47956   -5.18325   -8.80457
H      -6.61554   -1.24954    3.51458
H      -7.47956    5.18325    8.80457
H       6.61554    1.24954   -3.51458
H       6.19346   -3.99209   -8.52278
H      -5.32944   -0.05838    3.23278
H      -6.19346    3.99209    8.52278
H       5.32944    0.05838   -3.23278
H       5.59989   -6.45064   -7.52587
H      -4.73587   -2.51693    2.23587
H      -5.59989    6.45064    7.52587
H       4.73587    2.51693   -2.23587
H       0.22300   -0.64087   -3.21946
H       0.64102    3.29283   -2.07054
H      -0.22300    0.64087    3.21946
H      -0.64102   -3.29283    2.07054
H       0.38009   -2.07634   -2.19994
H       0.48392    1.85736   -3.09005
H      -0.38009    2.07634    2.19994
H      -0.48392   -1.85736    3.09005
H       1.49914   -0.71341   -1.98842
H      -0.63512    3.22028   -3.30157
H      -1.49914    0.71341    1.98842
H       0.63512   -3.22028    3.30157
H       3.22769   -1.25117   -5.35272
H      -2.36368    2.68253    0.06272
H      -3.22769    1.25117    5.35272
H       2.36368   -2.68253   -0.06272
H       1.82408   -0.19838   -5.09248
H      -0.96006    3.73532   -0.19751
H      -1.82408    0.19838    5.09248
H       0.96006   -3.73532    0.19751
H       3.17832   -0.16535   -3.95051
H      -2.31430    3.76835   -1.33949
H      -3.17832    0.16535    3.95051
H       2.31430   -3.76835    1.33949
H       2.39652   -1.22327   -4.43568
H      -1.53250    2.71043   -0.85432
H      -2.39652    1.22327    4.43568
H       1.53250   -2.71043    0.85432
H       2.09999   -3.42047   -2.83820
H      -1.23597    0.51323   -2.45179
H      -2.09999    3.42047    2.83820
H       1.23597   -0.51323    2.45179
H       3.57285   -2.70091   -2.17937
H      -2.70884    1.23279   -3.11062
H      -3.57285    2.70091    2.17937
H       2.70884   -1.23279    3.11062
H       6.94387   -3.60116   -5.40758
H      -6.07985    0.33254    0.11759
H      -6.94387    3.60116    5.40758
H       6.07985   -0.33254   -0.11759
H       5.60171   -2.44944   -3.74294
H      -4.73770    1.48426   -1.54706
H      -5.60171    2.44944    3.74294
H       4.73770   -1.48426    1.54706
H       3.59211   -6.02157   -6.42539
H      -2.72810   -2.08787    1.13540
H      -3.59211    6.02157    6.42539
H       2.72810    2.08787   -1.13540
H       2.25406   -4.86547   -4.76080
H      -1.39004   -0.93177   -0.52919
H      -2.25406    4.86547    4.76080
H       1.39004    0.93177    0.52919
O       8.32581   -6.29672   -6.21361
O      -7.46179   -2.36301    0.92361
O      -8.32581    6.29672    6.21361
O       7.46179    2.36301   -0.92361
O       6.73942   -7.86351   -6.16362
O      -5.87540   -3.92980    0.87362
O      -6.73942    7.86351    6.16362
O       5.87540    3.92980   -0.87362
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.16241   -6.61292   -6.45005
C      -6.29839   -2.67921    1.16006
C      -7.16241    6.61292    6.45005
C       6.29839    2.67921   -1.16006
C       6.92651   -4.63845   -8.03561
C      -6.06249   -0.70474    2.74561
C      -6.92651    4.63845    8.03561
C       6.06249    0.70474   -2.74561
C       6.20266   -5.64370   -7.10167
C      -5.33864   -1.70999    1.81168
C      -6.20266    5.64370    7.10167
C       5.33864    1.70999   -1.81168
C       0.92957   -1.30497   -2.71750
C      -0.06555    2.62873   -2.57249
C      -0.92957    1.30497    2.71750
C       0.06555   -2.62873    2.57249
C       2.58036   -0.79654   -4.58352
C      -1.71634    3.13716   -0.70647
C      -2.58036    0.79654    4.58352
C       1.71634   -3.13716    0.70647
C       1.89858   -1.92466   -3.76047
C      -1.03456    2.00904   -1.52952
C      -1.89858    1.92466    3.76047
C       1.03456   -2.00904    1.52952
C       2.97871   -2.82560   -3.09263
C      -2.11470    1.10810   -2.19736
C      -2.97871    2.82560    3.09263
C       2.11470   -1.10810    2.19736
C       5.94159   -3.88634   -5.27098
C      -5.07757    0.04736   -0.01901
C      -5.94159    3.88634    5.27098
C       5.07757   -0.04736    0.01901
C       5.16917   -3.22026   -4.31099
C      -4.30515    0.71344   -0.97900
C      -5.16917    3.22026    4.31099
C       4.30515   -0.71344    0.97900
C       5.38280   -4.91835   -6.04876
C      -4.51878   -0.98465    0.75876
C      -5.38280    4.91835    6.04876
C       4.51878    0.98465   -0.75876
C       4.03499   -5.26032   -5.84891
C      -3.17097   -1.32661    0.55892
C      -4.03499    5.26032    5.84891
C       3.17097    1.32661   -0.55892
C       3.82107   -3.57416   -4.10452
C      -2.95705    0.35954   -1.18548
C      -3.82107    3.57416    4.10452
C       2.95705   -0.35954    1.18548
C       3.26053   -4.59641   -4.88889
C      -2.39651   -0.66271   -0.40110
C      -3.26053    4.59641    4.88889
C       2.39651    0.66271    0.40110
H       7.31670   -8.49630   -5.77556
H      -6.45268   -4.56260    0.48557
H      -7.31670    8.49630    5.77556
H       6.45268    4.56260   -0.48557
H       7.62471   -4.01879   -7.47091
H      -6.76069   -0.08508    2.18091
H      -7.62471    4.01879    7.47091
H       6.76069    0.08508   -2.18091
H       7.47956   -5.18325   -8.80457
H      -6.61554   -1.24954    3.51458
H      -7.47956    5.18325    8.80457
H       6.61554    1.24954   -3.51458
H       6.19346   -3.99209   -8.52278
H      -5.32944   -0.05838    3.23278
H      -6.19346    3.99209    8.52278
H       5.32944    0.05838   -3.23278
H       5.59989   -6.45064   -7.52587
H      -4.73587   -2.51693    2.23587
H      -5.59989    6.45064    7.52587
H       4.73587    2.51693   -2.23587
H       0.21600   -0.64970   -3.22013
H       0.64802    3.28400   -2.06986
H      -0.21600    0.64970    3.22013
H      -0.64802   -3.28400    2.06986
H       0.37332   -2.09031   -2.20793
H       0.49069    1.84338   -3.08206
H      -0.37332    2.09031    2.20793
H      -0.49069   -1.84338    3.08206
H       1.48663   -0.72474   -1.98357
H      -0.62261    3.20895   -3.30642
H      -1.48663    0.72474    1.98357
H       0.62261   -3.20895    3.30642
H       3.23270   -1.23768   -5.34269
H      -2.36868    2.69602    0.05270
H      -3.23270    1.23768    5.34269
H       2.36868   -2.69602   -0.05270
H       1.82424   -0.19121   -5.08315
H      -0.96022    3.74249   -0.20684
H      -1.82424    0.19121    5.08315
H       0.96022   -3.74249    0.20684
H       3.17302   -0.15992   -3.93469
H      -2.30900    3.77378   -1.35531
H      -3.17302    0.15992    3.93469
H       2.30900   -3.77378    1.35531
H       2.39652   -1.22327   -4.43568
H      -1.53250    2.71043   -0.85432
H      -2.39652    1.22327    4.43568
H       1.53250   -2.71043    0.85432
H       2.09999   -3.42047   -2.83820
H      -1.23597    0.51323   -2.45179
H      -2.09999    3.42047    2.83820
H       1.23597   -0.51323    2.45179
H       3.57285   -2.70091   -2.17937
H      -2.70884    1.23279   -3.11062
H      -3.57285    2.70091    2.17937
H       2.70884   -1.23279    3.11062
H       6.94387   -3.60116   -5.40758
H      -6.07985    0.33254    0.11759
H      -6.94387    3.60116    5.40758
H       6.07985   -0.33254   -0.11759
H       5.60171   -2.44944   -3.74294
H      -4.73770    1.48426   -1.54706
H      -5.60171    2.44944    3.74294
H       4.73770   -1.48426    1.54706
H       3.59211   -6.02157   -6.42539
H      -2.72810   -2.08787    1.13540
H      -3.59211    6.02157    6.42539
H       2.72810    2.08787   -1.13540
H       2.25406   -4.86547   -4.76080
H      -1.39004   -0.93177   -0.52919
H      -2.25406    4.86547    4.76080
H       1.39004    0.93177    0.52919
O       8.32581   -6.29672   -6.21361
O      -7.46179   -2.36301    0.92361
O      -8.32581    6.29672    6.21361
O       7.46179    2.36301   -0.92361
O       6.73942   -7.86351   -6.16362
O      -5.87540   -3.92980    0.87362
O      -6.73942    7.86351    6.16362
O       5.87540    3.92980   -0.87362
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.16241   -6.61292   -6.45005
C      -6.29839   -2.67921    1.16006
C      -7.16241    6.61292    6.45005
C       6.29839    2.67921   -1.16006
C       6.92651   -4.63845   -8.03561
C      -6.06249   -0.70474    2.74561
C      -6.92651    4.63845    8.03561
C       6.06249    0.70474   -2.74561
C       6.20266   -5.64370   -7.10167
C      -5.33864   -1.70999    1.81168
C      -6.20266    5.64370    7.10167
C       5.33864    1.70999   -1.81168
C       0.93415   -1.29890   -2.71682
C      -0.07013    2.63480   -2.57317
C      -0.93415    1.29890    2.71682
C       0.07013   -2.63480    2.57317
C       2.58033   -0.80115   -4.58979
C      -1.71632    3.13255   -0.70021
C      -2.58033    0.80115    4.58979
C       1.71632   -3.13255    0.70021
C       1.89858   -1.92466   -3.76047
C      -1.03456    2.00904   -1.52952
C      -1.89858    1.92466    3.76047
C       1.03456   -2.00904    1.52952
C       2.97871   -2.82560   -3.09263
C      -2.11470    1.10810   -2.19736
C      -2.97871    2.82560    3.09263
C       2.11470   -1.10810    2.19736
C       5.94159   -3.88634   -5.27098
C      -5.07757    0.04736   -0.01901
C      -5.94159    3.88634    5.27098
C       5.07757   -0.04736    0.01901
C       5.16917   -3.22026   -4.31099
C      -4.30515    0.71344   -0.97900
C      -5.16917    3.22026    4.31099
C       4.30515   -0.71344    0.97900
C       5.38280   -4.91835   -6.04876
C      -4.51878   -0.98465    0.75876
C      -5.38280    4.91835    6.04876
C       4.51878    0.98465   -0.75876
C       4.03499   -5.26032   -5.84891
C      -3.17097   -1.32661    0.55892
C      -4.03499    5.26032    5.84891
C       3.17097    1.32661   -0.55892
C       3.82107   -3.57416   -4.10452
C      -2.95705    0.35954   -1.18548
C      -3.82107    3.57416    4.10452
C       2.95705   -0.35954    1.18548
C       3.26053   -4.59641   -4.88889
C      -2.39651   -0.66271   -0.40110
C      -3.26053    4.59641    4.88889
C       2.39651    0.66271    0.40110
H       7.31670   -8.49630   -5.77556
H      -6.45268   -4.56260    0.48557
H      -7.31670    8.49630    5.77556
H       6.45268    4.56260   -0.48557
H       7.62471   -4.01879   -7.47091
H      -6.76069   -0.08508    2.18091
H      -7.62471    4.01879    7.47091
H       6.76069    0.08508   -2.18091
H       7.47956   -5.18325   -8.80457
H      -6.61554   -1.24954    3.51458
H      -7.47956    5.18325    8.80457
H       6.61554    1.24954   -3.51458
H       6.19346   -3.99209   -8.52278
H      -5.32944   -0.05838    3.23278
H      -6.19346    3.99209    8.52278
H       5.32944    0.05838   -3.23278
H       5.59989   -6.45064   -7.52587
H      -4.73587   -2.51693    2.23587
H      -5.59989    6.45064    7.52587
H       4.73587    2.51693   -2.23587
H       0.22053   -0.64386   -3.21968
H       0.64349    3.28984   -2.07032
H      -0.22053    0.64386    3.21968
H      -0.64349   -3.28984    2.07032
H       0.37769   -2.08108   -2.20264
H       0.48632    1.85261   -3.08735
H      -0.37769    2.08108    2.20264
H      -0.48632   -1.85261    3.08735
H       1.49480   -0.71724   -1.98676
H      -0.63078    3.21645   -3.30323
H      -1.49480    0.71724    1.98676
H       0.63078   -3.21645    3.30323
H       3.22932   -1.24659   -5.34933
H      -2.36530    2.68711    0.05933
H      -3.22932    1.24659    5.34933
H       2.36530   -2.68711   -0.05933
H       1.82406   -0.19594   -5.08932
H      -0.96004    3.73776   -0.20067
H      -1.82406    0.19594    5.08932
H       0.96004   -3.73776    0.20067
H       3.17644   -0.16350   -3.94514
H      -2.31242    3.77020   -1.34486
H      -3.17644    0.16350    3.94514
H       2.31242   -3.77020    1.34486
H       2.39652   -1.22327   -4.43568
H      -1.53250    2.71043   -0.85432
H      -2.39652    1.22327    4.43568
H       1.53250   -2.71043    0.85432
H       2.09999   -3.42047   -2.83820
H      -1.23597    0.51323   -2.45179
H      -2.09999    3.42047    2.83820
H       1.23597   -0.51323    2.45179
H       3.57285   -2.70091   -2.17937
H      -2.70884    1.23279   -3.11062
H      -3.57285    2.70091    2.17937
H       2.70884   -1.23279    3.11062
H       6.94387   -3.60116   -5.40758
H      -6.07985    0.33254    0.11759
H      -6.94387    3.60116    5.40758
H       6.07985   -0.33254   -0.11759
H       5.60171   -2.44944   -3.74294
H      -4.73770    1.48426   -1.54706
H      -5.60171    2.44944    3.74294
H       4.73770   -1.48426    1.54706
H       3.59211   -6.02157   -6.42539
H      -2.72810   -2.08787    1.13540
H      -3.59211    6.02157    6.42539
H       2.72810    2.08787   -1.13540
H       2.25406   -4.86547   -4.76080
H      -1.39004   -0.93177   -0.52919
H      -2.25406    4.86547    4.76080
H       1.39004    0.93177    0.52919
O       8.32581   -6.29672   -6.21361
O      -7.46179   -2.36301    0.92361
O      -8.32581    6.29672    6.21361
O       7.46179    2.36301   -0.92361
O       6.73942   -7.86351   -6.16362
O      -5.87540   -3.92980    0.87362
O      -6.73942    7.86351    6.16362
O       5.87540    3.92980   -0.87362
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.16241   -6.61292   -6.45005
C      -6.29839   -2.67921    1.16006
C      -7.16241    6.61292    6.45005
C       6.29839    2.67921   -1.16006
C       6.92651   -4.63845   -8.03561
C      -6.06249   -0.70474    2.74561
C      -6.92651    4.63845    8.03561
C       6.06249    0.70474   -2.74561
C       6.20266   -5.64370   -7.10167
C      -5.33864   -1.70999    1.81168
C      -6.20266    5.64370    7.10167
C       5.33864    1.70999   -1.81168
C       0.93347   -1.29971   -2.71691
C      -0.06945    2.63398   -2.57308
C      -0.93347    1.29971    2.71691
C       0.06945   -2.63398    2.57308
C       2.58028   -0.80053   -4.58895
C      -1.71626    3.13317   -0.70105
C      -2.58028    0.80053    4.58895
C       1.71626   -3.13317    0.70105
C       1.89858   -1.92466   -3.76047
C      -1.03456    2.00904   -1.52952
C      -1.89858    1.92466    3.76047
C       1.03456   -2.00904    1.52952
C       2.97871   -2.82560   -3.09263
C      -2.11470    1.10810   -2.19736
C      -2.97871    2.82560    3.09263
C       2.11470   -1.10810    2.19736
C       5.94159   -3.88634   -5.27098
C      -5.07757    0.04736   -0.01901
C      -5.94159    3.88634    5.27098
C       5.07757   -0.04736    0.01901
C       5.16917   -3.22026   -4.31099
C      -4.30515    0.71344   -0.97900
C      -5.16917    3.22026    4.31099
C       4.30515   -0.71344    0.97900
C       5.38280   -4.91835   -6.04876
C      -4.51878   -0.98465    0.75876
C      -5.38280    4.91835    6.04876
C       4.51878    0.98465   -0.75876
C       4.03499   -5.26032   -5.84891
C      -3.17097   -1.32661    0.55892
C      -4.03499    5.26032    5.84891
C       3.17097    1.32661   -0.55892
C       3.82107   -3.57416   -4.10452
C      -2.95705    0.35954   -1.18548
C      -3.82107    3.57416    4.10452
C       2.95705   -0.35954    1.18548
C       3.26053   -4.59641   -4.88889
C      -2.39651   -0.66271   -0.40110
C      -3.26053    4.59641    4.88889
C       2.39651    0.66271    0.40110
H       7.31670   -8.49630   -5.77556
H      -6.45268   -4.56260    0.48557
H      -7.31670    8.49630    5.77556
H       6.45268    4.56260   -0.48557
H       7.62471   -4.01879   -7.47091
H      -6.76069   -0.08508    2.18091
H      -7.62471    4.01879    7.47091
H       6.76069    0.08508   -2.18091
H       7.47956   -5.18325   -8.80457
H      -6.61554   -1.24954    3.51458
H      -7.47956    5.18325    8.80457
H       6.61554    1.24954   -3.51458
H       6.19346   -3.99209   -8.52278
H      -5.32944   -0.05838    3.23278
H      -6.19346    3.99209    8.52278
H       5.32944    0.05838   -3.23278
H       5.59989   -6.45064   -7.52587
H      -4.73587   -2.51693    2.23587
H      -5.59989    6.45064    7.52587
H       4.73587    2.51693   -2.23587
H       0.21986   -0.64464   -3.21973
H       0.64416    3.28906   -2.07026
H      -0.21986    0.64464    3.21973
H      -0.64416   -3.28906    2.07026
H       0.37704   -2.08232   -2.20335
H       0.48698    1.85137   -3.08665
H      -0.37704    2.08232    2.20335
H      -0.48698   -1.85137    3.08665
H       1.49364   -0.71825   -1.98633
H      -0.62962    3.21544   -3.30367
H      -1.49364    0.71825    1.98633
H       0.62962   -3.21544    3.30367
H       3.22972   -1.24539   -5.34843
H      -2.36570    2.68831    0.05844
H      -3.22972    1.24539    5.34843
H       2.36570   -2.68831   -0.05844
H       1.82403   -0.19530   -5.08849
H      -0.96001    3.73840   -0.20150
H      -1.82403    0.19530    5.08849
H       0.96001   -3.73840    0.20150
H       3.17592   -0.16301   -3.94374
H      -2.31191    3.77069   -1.34626
H      -3.17592    0.16301    3.94374
H       2.31191   -3.77069    1.34626
H       2.39652   -1.22327   -4.43568
H      -1.53250    2.71043   -0.85432
H      -2.39652    1.22327    4.43568
H       1.53250   -2.71043    0.85432
H       2.09999   -3.42047   -2.83820
H      -1.23597    0.51323   -2.45179
H      -2.09999    3.42047    2.83820
H       1.23597   -0.51323    2.45179
H       3.57285   -2.70091   -2.17937
H      -2.70884    1.23279   -3.11062
H      -3.57285    2.70091    2.17937
H       2.70884   -1.23279    3.11062
H       6.94387   -3.60116   -5.40758
H      -6.07985    0.33254    0.11759
H      -6.94387    3.60116    5.40758
H       6.07985   -0.33254   -0.11759
H       5.60171   -2.44944   -3.74294
H      -4.73770    1.48426   -1.54706
H      -5.60171    2.44944    3.74294
H       4.73770   -1.48426    1.54706
H       3.59211   -6.02157   -6.42539
H      -2.72810   -2.08787    1.13540
H      -3.59211    6.02157    6.42539
H       2.72810    2.08787   -1.13540
H       2.25406   -4.86547   -4.76080
H      -1.39004   -0.93177   -0.52919
H      -2.25406    4.86547    4.76080
H       1.39004    0.93177    0.52919
O       8.32581   -6.29672   -6.21361
O      -7.46179   -2.36301    0.92361
O      -8.32581    6.29672    6.21361
O       7.46179    2.36301   -0.92361
O       6.73942   -7.86351   -6.16362
O      -5.87540   -3.92980    0.87362
O      -6.73942    7.86351    6.16362
O       5.87540    3.92980   -0.87362
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.15797   -6.59727   -6.44470
C      -6.29395   -2.66357    1.15471
C      -7.15797    6.59727    6.44470
C       6.29395    2.66357   -1.15471
C       6.92207   -4.62280   -8.03026
C      -6.05805   -0.68909    2.74026
C      -6.92207    4.62280    8.03026
C       6.05805    0.68909   -2.74026
C       6.19822   -5.62805   -7.09633
C      -5.33421   -1.69435    1.80633
C      -6.19822    5.62805    7.09633
C       5.33421    1.69435   -1.80633
C       0.92903   -1.28407   -2.71157
C      -0.06502    2.64963   -2.57843
C      -0.92903    1.28407    2.71157
C       0.06502   -2.64963    2.57843
C       2.57584   -0.78488   -4.58360
C      -1.71183    3.14882   -0.70640
C      -2.57584    0.78488    4.58360
C       1.71183   -3.14882    0.70640
C       1.89414   -1.90901   -3.75512
C      -1.03012    2.02469   -1.53487
C      -1.89414    1.90901    3.75512
C       1.03012   -2.02469    1.53487
C       2.97428   -2.80995   -3.08728
C      -2.11026    1.12375   -2.20271
C      -2.97428    2.80995    3.08728
C       2.11026   -1.12375    2.20271
C       5.93715   -3.87069   -5.26563
C      -5.07313    0.06301   -0.02436
C      -5.93715    3.87069    5.26563
C       5.07313   -0.06301    0.02436
C       5.16473   -3.20461   -4.30564
C      -4.30072    0.72909   -0.98435
C      -5.16473    3.20461    4.30564
C       4.30072   -0.72909    0.98435
C       5.37836   -4.90271   -6.04341
C      -4.51435   -0.96900    0.75342
C      -5.37836    4.90271    6.04341
C       4.51435    0.96900   -0.75342
C       4.03055   -5.24467   -5.84357
C      -3.16654   -1.31096    0.55357
C      -4.03055    5.24467    5.84357
C       3.16654    1.31096   -0.55357
C       3.81663   -3.55852   -4.09917
C      -2.95261    0.37518   -1.19083
C      -3.81663    3.55852    4.09917
C       2.95261   -0.37518    1.19083
C       3.25609   -4.58076   -4.88354
C      -2.39207   -0.64706   -0.40645
C      -3.25609    4.58076    4.88354
C       2.39207    0.64706    0.40645
H       7.31226   -8.48065   -5.77021
H      -6.44825   -4.54695    0.48022
H      -7.31226    8.48065    5.77021
H       6.44825    4.54695   -0.48022
H       7.62027   -4.00314   -7.46556
H      -6.75626   -0.06944    2.17557
H      -7.62027    4.00314    7.46556
H       6.75626    0.06944   -2.17557
H       7.47512   -5.16760   -8.79922
H      -6.61110   -1.23389    3.50923
H      -7.47512    5.16760    8.79922
H       6.61110    1.23389   -3.50923
H       6.18902   -3.97644   -8.51743
H      -5.32500   -0.04273    3.22744
H      -6.18902    3.97644    8.51743
H       5.32500    0.04273   -3.22744
H       5.59545   -6.43499   -7.52052
H      -4.73143   -2.50129    2.23053
H      -5.59545    6.43499    7.52052
H       4.73143    2.50129   -2.23053
H       0.21542   -0.62899   -3.21439
H       0.64860    3.30471   -2.07561
H      -0.21542    0.62899    3.21439
H      -0.64860   -3.30471    2.07561
H       0.37260   -2.06668   -2.19800
H       0.49141    1.86702   -3.09200
H      -0.37260    2.06668    2.19800
H      -0.49141   -1.86702    3.09200
H       1.48920   -0.70260   -1.98098
H      -0.62518    3.23109   -3.30901
H      -1.48920    0.70260    1.98098
H       0.62518   -3.23109    3.30901
H       3.22528   -1.22974   -5.34309
H      -2.36126    2.70396    0.05309
H      -3.22528    1.22974    5.34309
H       2.36126   -2.70396   -0.05309
H       1.81959   -0.17966   -5.08314
H      -0.95557    3.75405   -0.20685
H      -1.81959    0.17966    5.08314
H       0.95557   -3.75405    0.20685
H       3.17149   -0.14737   -3.93839
H      -2.30747    3.78633   -1.35161
H      -3.17149    0.14737    3.93839
H       2.30747   -3.78633    1.35161
H       2.39208   -1.20762   -4.43033
H      -1.52807    2.72608   -0.85966
H      -2.39208    1.20762    4.43033
H       1.52807   -2.72608    0.85966
H       2.09555   -3.40482   -2.83285
H      -1.23153    0.52887   -2.45714
H      -2.09555    3.40482    2.83285
H       1.23153   -0.52887    2.45714
H       3.56842   -2.68526   -2.17403
H      -2.70440    1.24844   -3.11597
H      -3.56842    2.68526    2.17403
H       2.70440   -1.24844    3.11597
H       6.93943   -3.58551   -5.40224
H      -6.07541    0.34819    0.11224
H      -6.93943    3.58551    5.40224
H       6.07541   -0.34819   -0.11224
H       5.59728   -2.43379   -3.73759
H      -4.73326    1.49991   -1.55240
H      -5.59728    2.43379    3.73759
H       4.73326   -1.49991    1.55240
H       3.58768   -6.00592   -6.42004
H      -2.72366   -2.07222    1.13005
H      -3.58768    6.00592    6.42004
H       2.72366    2.07222   -1.13005
H       2.24962   -4.84982   -4.75545
H      -1.38560   -0.91612   -0.53454
H      -2.24962    4.84982    4.75545
H       1.38560    0.91612    0.53454
O       8.32137   -6.28107   -6.20826
O      -7.45735   -2.34737    0.91827
O      -8.32137    6.28107    6.20826
O       7.45735    2.34737   -0.91827
O       6.73498   -7.84786   -6.15827
O      -5.87096   -3.91415    0.86828
O      -6.73498    7.84786    6.15827
O       5.87096    3.91415   -0.86828
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.16647   -6.58837   -6.44418
C      -6.30246   -2.65466    1.15418
C      -7.16647    6.58837    6.44418
C       6.30246    2.65466   -1.15418
C       6.91204   -4.62287   -8.03799
C      -6.04802   -0.68916    2.74799
C      -6.91204    4.62287    8.03799
C       6.04802    0.68916   -2.74799
C       6.19822   -5.62805   -7.09633
C      -5.33421   -1.69435    1.80633
C      -6.19822    5.62805    7.09633
C       5.33421    1.69435   -1.80633
C       0.92903   -1.28407   -2.71157
C      -0.06502    2.64963   -2.57843
C      -0.92903    1.28407    2.71157
C       0.06502   -2.64963    2.57843
C       2.57584   -0.78488   -4.58360
C      -1.71183    3.14882   -0.70640
C      -2.57584    0.78488    4.58360
C       1.71183   -3.14882    0.70640
C       1.89414   -1.90901   -3.75512
C      -1.03012    2.02469   -1.53487
C      -1.89414    1.90901    3.75512
C       1.03012   -2.02469    1.53487
C       2.97428   -2.80995   -3.08728
C      -2.11026    1.12375   -2.20271
C      -2.97428    2.80995    3.08728
C       2.11026   -1.12375    2.20271
C       5.93715   -3.87069   -5.26563
C      -5.07313    0.06301   -0.02436
C      -5.93715    3.87069    5.26563
C       5.07313   -0.06301    0.02436
C       5.16473   -3.20461   -4.30564
C      -4.30072    0.72909   -0.98435
C      -5.16473    3.20461    4.30564
C       4.30072   -0.72909    0.98435
C       5.37836   -4.90271   -6.04341
C      -4.51435   -0.96900    0.75342
C      -5.37836    4.90271    6.04341
C       4.51435    0.96900   -0.75342
C       4.03055   -5.24467   -5.84357
C      -3.16654   -1.31096    0.55357
C      -4.03055    5.24467    5.84357
C       3.16654    1.31096   -0.55357
C       3.81663   -3.55852   -4.09917
C      -2.95261    0.37518   -1.19083
C      -3.81663    3.55852    4.09917
C       2.95261   -0.37518    1.19083
C       3.25609   -4.58076   -4.88354
C      -2.39207   -0.64706   -0.40645
C      -3.25609    4.58076    4.88354
C       2.39207    0.64706    0.40645
H       7.33497   -8.46758   -5.76150
H      -6.47095   -4.53387    0.47150
H      -7.33497    8.46758    5.76150
H       6.47095    4.53387   -0.47150
H       7.60881   -3.99635   -7.47913
H      -6.74480   -0.06264    2.18913
H      -7.60881    3.99635    7.47913
H       6.74480    0.06264   -2.18913
H       7.46518   -5.16795   -8.80669
H      -6.60117   -1.23424    3.51670
H      -7.46518    5.16795    8.80669
H       6.60117    1.23424   -3.51670
H       6.17307   -3.98325   -8.52512
H      -5.30905   -0.04954    3.23513
H      -6.17307    3.98325    8.52512
H       5.30905    0.04954   -3.23513
H       5.59545   -6.43499   -7.52052
H      -4.73143   -2.50129    2.23053
H      -5.59545    6.43499    7.52052
H       4.73143    2.50129   -2.23053
H       0.21542   -0.62899   -3.21439
H       0.64860    3.30471   -2.07561
H      -0.21542    0.62899    3.21439
H      -0.64860   -3.30471    2.07561
H       0.37260   -2.06668   -2.19800
H       0.49141    1.86702   -3.09200
H      -0.37260    2.06668    2.19800
H      -0.49141   -1.86702    3.09200
H       1.48920   -0.70260   -1.98098
H      -0.62518    3.23109   -3.30901
H      -1.48920    0.70260    1.98098
H       0.62518   -3.23109    3.30901
H       3.22528   -1.22974   -5.34309
H      -2.36126    2.70396    0.05309
H      -3.22528    1.22974    5.34309
H       2.36126   -2.70396   -0.05309
H       1.81959   -0.17966   -5.08314
H      -0.95557    3.75405   -0.20685
H      -1.81959    0.17966    5.08314
H       0.95557   -3.75405    0.20685
H       3.17149   -0.14737   -3.93839
H      -2.30747    3.78633   -1.35161
H      -3.17149    0.14737    3.93839
H       2.30747   -3.78633    1.35161
H       2.39208   -1.20762   -4.43033
H      -1.52807    2.72608   -0.85966
H      -2.39208    1.20762    4.43033
H       1.52807   -2.72608    0.85966
H       2.09555   -3.40482   -2.83285
H      -1.23153    0.52887   -2.45714
H      -2.09555    3.40482    2.83285
H       1.23153   -0.52887    2.45714
H       3.56842   -2.68526   -2.17403
H      -2.70440    1.24844   -3.11597
H      -3.56842    2.68526    2.17403
H       2.70440   -1.24844    3.11597
H       6.93943   -3.58551   -5.40224
H      -6.07541    0.34819    0.11224
H      -6.93943    3.58551    5.40224
H       6.07541   -0.34819   -0.11224
H       5.59728   -2.43379   -3.73759
H      -4.73326    1.49991   -1.55240
H      -5.59728    2.43379    3.73759
H       4.73326   -1.49991    1.55240
H       3.58768   -6.00592   -6.42004
H      -2.72366   -2.07222    1.13005
H      -3.58768    6.00592    6.42004
H       2.72366    2.07222   -1.13005
H       2.24962   -4.84982   -4.75545
H      -1.38560   -0.91612   -0.53454
H      -2.24962    4.84982    4.75545
H       1.38560    0.91612    0.53454
O       8.32891   -6.26404   -6.21409
O      -7.46489   -2.33033    0.92409
O      -8.32891    6.26404    6.21409
O       7.46489    2.33033   -0.92409
O       6.75226   -7.84012   -6.15010
O      -5.88824   -3.90641    0.86011
O      -6.75226    7.84012    6.15010
O       5.88824    3.90641   -0.86011
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.16767   -6.59694   -6.41626
C      -6.30365   -2.66324    1.12626
C      -7.16767    6.59694    6.41626
C       6.30365    2.66324   -1.12626
C       6.91323   -4.63144   -8.01007
C      -6.04922   -0.69773    2.72007
C      -6.91323    4.63144    8.01007
C       6.04922    0.69773   -2.72007
C       6.19942   -5.63663   -7.06841
C      -5.33540   -1.70292    1.77841
C      -6.19942    5.63663    7.06841
C       5.33540    1.70292   -1.77841
C       0.93023   -1.29264   -2.68364
C      -0.06621    2.64106   -2.60635
C      -0.93023    1.29264    2.68364
C       0.06621   -2.64106    2.60635
C       2.57704   -0.79346   -4.55568
C      -1.71302    3.14025   -0.73432
C      -2.57704    0.79346    4.55568
C       1.71302   -3.14025    0.73432
C       1.89534   -1.91758   -3.72720
C      -1.03132    2.01611   -1.56279
C      -1.89534    1.91758    3.72720
C       1.03132   -2.01611    1.56279
C       2.97547   -2.81852   -3.05936
C      -2.11145    1.11517   -2.23063
C      -2.97547    2.81852    3.05936
C       2.11145   -1.11517    2.23063
C       5.93834   -3.87927   -5.23771
C      -5.07433    0.05444   -0.05228
C      -5.93834    3.87927    5.23771
C       5.07433   -0.05444    0.05228
C       5.16593   -3.21318   -4.27772
C      -4.30191    0.72052   -1.01227
C      -5.16593    3.21318    4.27772
C       4.30191   -0.72052    1.01227
C       5.37956   -4.91128   -6.01549
C      -4.51554   -0.97757    0.72550
C      -5.37956    4.91128    6.01549
C       4.51554    0.97757   -0.72550
C       4.03175   -5.25324   -5.81565
C      -3.16773   -1.31954    0.52565
C      -4.03175    5.25324    5.81565
C       3.16773    1.31954   -0.52565
C       3.81782   -3.56709   -4.07125
C      -2.95381    0.36661   -1.21875
C      -3.81782    3.56709    4.07125
C       2.95381   -0.36661    1.21875
C       3.25728   -4.58933   -4.85562
C      -2.39327   -0.65563   -0.43437
C      -3.25728    4.58933    4.85562
C       2.39327    0.65563    0.43437
H       7.33617   -8.47615   -5.73358
H      -6.47215   -4.54245    0.44358
H      -7.33617    8.47615    5.73358
H       6.47215    4.54245   -0.44358
H       7.61001   -4.00492   -7.45121
H      -6.74599   -0.07122    2.16121
H      -7.61001    4.00492    7.45121
H       6.74599    0.07122   -2.16121
H       7.46638   -5.17652   -8.77877
H      -6.60236   -1.24281    3.48877
H      -7.46638    5.17652    8.77877
H       6.60236    1.24281   -3.48877
H       6.17427   -3.99182   -8.49720
H      -5.31025   -0.05811    3.20720
H      -6.17427    3.99182    8.49720
H       5.31025    0.05811   -3.20720
H       5.59665   -6.44357   -7.49260
H      -4.73263   -2.50986    2.20260
H      -5.59665    6.44357    7.49260
H       4.73263    2.50986   -2.20260
H       0.21662   -0.63756   -3.18646
H       0.64740    3.29614   -2.10353
H      -0.21662    0.63756    3.18646
H      -0.64740   -3.29614    2.10353
H       0.37380   -2.07525   -2.17008
H       0.49022    1.85845   -3.11992
H      -0.37380    2.07525    2.17008
H      -0.49022   -1.85845    3.11992
H       1.49039   -0.71118   -1.95306
H      -0.62638    3.22252   -3.33693
H      -1.49039    0.71118    1.95306
H       0.62638   -3.22252    3.33693
H       3.22648   -1.23832   -5.31517
H      -2.36246    2.69539    0.02517
H      -3.22648    1.23832    5.31517
H       2.36246   -2.69539   -0.02517
H       1.82078   -0.18823   -5.05522
H      -0.95677    3.74547   -0.23477
H      -1.82078    0.18823    5.05522
H       0.95677   -3.74547    0.23477
H       3.17268   -0.15594   -3.91047
H      -2.30866    3.77776   -1.37953
H      -3.17268    0.15594    3.91047
H       2.30866   -3.77776    1.37953
H       2.39328   -1.21620   -4.40241
H      -1.52926    2.71750   -0.88759
H      -2.39328    1.21620    4.40241
H       1.52926   -2.71750    0.88759
H       2.09675   -3.41339   -2.80493
H      -1.23273    0.52030   -2.48506
H      -2.09675    3.41339    2.80493
H       1.23273   -0.52030    2.48506
H       3.56961   -2.69383   -2.14610
H      -2.70559    1.23986   -3.14389
H      -3.56961    2.69383    2.14610
H       2.70559   -1.23986    3.14389
H       6.94062   -3.59409   -5.37432
H      -6.07661    0.33962    0.08432
H      -6.94062    3.59409    5.37432
H       6.07661   -0.33962   -0.08432
H       5.59847   -2.44236   -3.70967
H      -4.73445    1.49134   -1.58032
H      -5.59847    2.44236    3.70967
H       4.73445   -1.49134    1.58032
H       3.58887   -6.01450   -6.39212
H      -2.72485   -2.08079    1.10213
H      -3.58887    6.01450    6.39212
H       2.72485    2.08079   -1.10213
H       2.25081   -4.85840   -4.72753
H      -1.38680   -0.92470   -0.56246
H      -2.25081    4.85840    4.72753
H       1.38680    0.92470    0.56246
O       8.33010   -6.27261   -6.18616
O      -7.46609   -2.33890    0.89617
O      -8.33010    6.27261    6.18616
O       7.46609    2.33890   -0.89617
O       6.75345   -7.84869   -6.12218
O      -5.88944   -3.91499    0.83219
O      -6.75345    7.84869    6.12218
O       5.88944    3.91499   -0.83219
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.18729   -6.57605   -6.41533
C      -6.32327   -2.64235    1.12534
C      -7.18729    6.57605    6.41533
C       6.32327    2.64235   -1.12534
C       6.88986   -4.63197   -8.02786
C      -6.02584   -0.69826    2.73787
C      -6.88986    4.63197    8.02786
C       6.02584    0.69826   -2.73787
C       6.19942   -5.63663   -7.06841
C      -5.33540   -1.70292    1.77841
C      -6.19942    5.63663    7.06841
C       5.33540    1.70292   -1.77841
C       0.93023   -1.29264   -2.68364
C      -0.06621    2.64106   -2.60635
C      -0.93023    1.29264    2.68364
C       0.06621   -2.64106    2.60635
C       2.57704   -0.79346   -4.55568
C      -1.71302    3.14025   -0.73432
C      -2.57704    0.79346    4.55568
C       1.71302   -3.14025    0.73432
C       1.89534   -1.91758   -3.72720
C      -1.03132    2.01611   -1.56279
C      -1.89534    1.91758    3.72720
C       1.03132   -2.01611    1.56279
C       2.97547   -2.81852   -3.05936
C      -2.11145    1.11517   -2.23063
C      -2.97547    2.81852    3.05936
C       2.11145   -1.11517    2.23063
C       5.93834   -3.87927   -5.23771
C      -5.07433    0.05444   -0.05228
C      -5.93834    3.87927    5.23771
C       5.07433   -0.05444    0.05228
C       5.16593   -3.21318   -4.27772
C      -4.30191    0.72052   -1.01227
C      -5.16593    3.21318    4.27772
C       4.30191   -0.72052    1.01227
C       5.37956   -4.91128   -6.01549
C      -4.51554   -0.97757    0.72550
C      -5.37956    4.91128    6.01549
C       4.51554    0.97757   -0.72550
C       4.03175   -5.25324   -5.81565
C      -3.16773   -1.31954    0.52565
C      -4.03175    5.25324    5.81565
C       3.16773    1.31954   -0.52565
C       3.81782   -3.56709   -4.07125
C      -2.95381    0.36661   -1.21875
C      -3.81782    3.56709    4.07125
C       2.95381   -0.36661    1.21875
C       3.25728   -4.58933   -4.85562
C      -2.39327   -0.65563   -0.43437
C      -3.25728    4.58933    4.85562
C       2.39327    0.65563    0.43437
H       7.38883   -8.44508   -5.71393
H      -6.52481   -4.51138    0.42394
H      -7.38883    8.44508    5.71393
H       6.52481    4.51138   -0.42394
H       7.58306   -3.98965   -7.48268
H      -6.71905   -0.05594    2.19268
H      -7.58306    3.98965    7.48268
H       6.71905    0.05594   -2.19268
H       7.44323   -5.17769   -8.79595
H      -6.57922   -1.24397    3.50596
H      -7.44323    5.17769    8.79595
H       6.57922    1.24397   -3.50596
H       6.13730   -4.00817   -8.51469
H      -5.27328   -0.07446    3.22469
H      -6.13730    4.00817    8.51469
H       5.27328    0.07446   -3.22469
H       5.59665   -6.44357   -7.49260
H      -4.73263   -2.50986    2.20260
H      -5.59665    6.44357    7.49260
H       4.73263    2.50986   -2.20260
H       0.21662   -0.63756   -3.18646
H       0.64740    3.29614   -2.10353
H      -0.21662    0.63756    3.18646
H      -0.64740   -3.29614    2.10353
H       0.37380   -2.07525   -2.17008
H       0.49022    1.85845   -3.11992
H      -0.37380    2.07525    2.17008
H      -0.49022   -1.85845    3.11992
H       1.49039   -0.71118   -1.95306
H      -0.62638    3.22252   -3.33693
H      -1.49039    0.71118    1.95306
H       0.62638   -3.22252    3.33693
H       3.22648   -1.23832   -5.31517
H      -2.36246    2.69539    0.02517
H      -3.22648    1.23832    5.31517
H       2.36246   -2.69539   -0.02517
H       1.82078   -0.18823   -5.05522
H      -0.95677    3.74547   -0.23477
H      -1.82078    0.18823    5.05522
H       0.95677   -3.74547    0.23477
H       3.17268   -0.15594   -3.91047
H      -2.30866    3.77776   -1.37953
H      -3.17268    0.15594    3.91047
H       2.30866   -3.77776    1.37953
H       2.39328   -1.21620   -4.40241
H      -1.52926    2.71750   -0.88759
H      -2.39328    1.21620    4.40241
H       1.52926   -2.71750    0.88759
H       2.09675   -3.41339   -2.80493
H      -1.23273    0.52030   -2.48506
H      -2.09675    3.41339    2.80493
H       1.23273   -0.52030    2.48506
H       3.56961   -2.69383   -2.14610
H      -2.70559    1.23986   -3.14389
H      -3.56961    2.69383    2.14610
H       2.70559   -1.23986    3.14389
H       6.94062   -3.59409   -5.37432
H      -6.07661    0.33962    0.08432
H      -6.94062    3.59409    5.37432
H       6.07661   -0.33962   -0.08432
H       5.59847   -2.44236   -3.70967
H      -4.73445    1.49134   -1.58032
H      -5.59847    2.44236    3.70967
H       4.73445   -1.49134    1.58032
H       3.58887   -6.01450   -6.39212
H      -2.72485   -2.08079    1.10213
H      -3.58887    6.01450    6.39212
H       2.72485    2.08079   -1.10213
H       2.25081   -4.85840   -4.72753
H      -1.38680   -0.92470   -0.56246
H      -2.25081    4.85840    4.72753
H       1.38680    0.92470    0.56246
O       8.34719   -6.23296   -6.20013
O      -7.48317   -2.29926    0.91014
O      -8.34719    6.23296    6.20013
O       7.48317    2.29926   -0.91014
O       6.79362   -7.83017   -6.10363
O      -5.92960   -3.89646    0.81364
O      -6.79362    7.83017    6.10363
O       5.92960    3.89646   -0.81364
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.17284   -6.59141   -6.41597
C      -6.30882   -2.65771    1.12597
C      -7.17284    6.59141    6.41597
C       6.30882    2.65771   -1.12597
C       6.90695   -4.63153   -8.01482
C      -6.04294   -0.69782    2.72483
C      -6.90695    4.63153    8.01482
C       6.04294    0.69782   -2.72483
C       6.19942   -5.63663   -7.06841
C      -5.33540   -1.70292    1.77841
C      -6.19942    5.63663    7.06841
C       5.33540    1.70292   -1.77841
C       0.93023   -1.29264   -2.68364
C      -0.06621    2.64106   -2.60635
C      -0.93023    1.29264    2.68364
C       0.06621   -2.64106    2.60635
C       2.57704   -0.79346   -4.55568
C      -1.71302    3.14025   -0.73432
C      -2.57704    0.79346    4.55568
C       1.71302   -3.14025    0.73432
C       1.89534   -1.91758   -3.72720
C      -1.03132    2.01611   -1.56279
C      -1.89534    1.91758    3.72720
C       1.03132   -2.01611    1.56279
C       2.97547   -2.81852   -3.05936
C      -2.11145    1.11517   -2.23063
C      -2.97547    2.81852    3.05936
C       2.11145   -1.11517    2.23063
C       5.93834   -3.87927   -5.23771
C      -5.07433    0.05444   -0.05228
C      -5.93834    3.87927    5.23771
C       5.07433   -0.05444    0.05228
C       5.16593   -3.21318   -4.27772
C      -4.30191    0.72052   -1.01227
C      -5.16593    3.21318    4.27772
C       4.30191   -0.72052    1.01227
C       5.37956   -4.91128   -6.01549
C      -4.51554   -0.97757    0.72550
C      -5.37956    4.91128    6.01549
C       4.51554    0.97757   -0.72550
C       4.03175   -5.25324   -5.81565
C      -3.16773   -1.31954    0.52565
C      -4.03175    5.25324    5.81565
C       3.16773    1.31954   -0.52565
C       3.81782   -3.56709   -4.07125
C      -2.95381    0.36661   -1.21875
C      -3.81782    3.56709    4.07125
C       2.95381   -0.36661    1.21875
C       3.25728   -4.58933   -4.85562
C      -2.39327   -0.65563   -0.43437
C      -3.25728    4.58933    4.85562
C       2.39327    0.65563    0.43437
H       7.35012   -8.46797   -5.72826
H      -6.48610   -4.53427    0.43827
H      -7.35012    8.46797    5.72826
H       6.48610    4.53427   -0.43827
H       7.60281   -4.00079   -7.45959
H      -6.73879   -0.06708    2.16959
H      -7.60281    4.00079    7.45959
H       6.73879    0.06708   -2.16959
H       7.46016   -5.17678   -8.78336
H      -6.59614   -1.24307    3.49337
H      -7.46016    5.17678    8.78336
H       6.59614    1.24307   -3.49337
H       6.16435   -3.99610   -8.50190
H      -5.30033   -0.06239    3.21191
H      -6.16435    3.99610    8.50190
H       5.30033    0.06239   -3.21191
H       5.59665   -6.44357   -7.49260
H      -4.73263   -2.50986    2.20260
H      -5.59665    6.44357    7.49260
H       4.73263    2.50986   -2.20260
H       0.21662   -0.63756   -3.18646
H       0.64740    3.29614   -2.10353
H      -0.21662    0.63756    3.18646
H      -0.64740   -3.29614    2.10353
H       0.37380   -2.07525   -2.17008
H       0.49022    1.85845   -3.11992
H      -0.37380    2.07525    2.17008
H      -0.49022   -1.85845    3.11992
H       1.49039   -0.71118   -1.95306
H      -0.62638    3.22252   -3.33693
H      -1.49039    0.71118    1.95306
H       0.62638   -3.22252    3.33693
H       3.22648   -1.23832   -5.31517
H      -2.36246    2.69539    0.02517
H      -3.22648    1.23832    5.31517
H       2.36246   -2.69539   -0.02517
H       1.82078   -0.18823   -5.05522
H      -0.95677    3.74547   -0.23477
H      -1.82078    0.18823    5.05522
H       0.95677   -3.74547    0.23477
H       3.17268   -0.15594   -3.91047
H      -2.30866    3.77776   -1.37953
H      -3.17268    0.15594    3.91047
H       2.30866   -3.77776    1.37953
H       2.39328   -1.21620   -4.40241
H      -1.52926    2.71750   -0.88759
H      -2.39328    1.21620    4.40241
H       1.52926   -2.71750    0.88759
H       2.09675   -3.41339   -2.80493
H      -1.23273    0.52030   -2.48506
H      -2.09675    3.41339    2.80493
H       1.23273   -0.52030    2.48506
H       3.56961   -2.69383   -2.14610
H      -2.70559    1.23986   -3.14389
H      -3.56961    2.69383    2.14610
H       2.70559   -1.23986    3.14389
H       6.94062   -3.59409   -5.37432
H      -6.07661    0.33962    0.08432
H      -6.94062    3.59409    5.37432
H       6.07661   -0.33962   -0.08432
H       5.59847   -2.44236   -3.70967
H      -4.73445    1.49134   -1.58032
H      -5.59847    2.44236    3.70967
H       4.73445   -1.49134    1.58032
H       3.58887   -6.01450   -6.39212
H      -2.72485   -2.08079    1.10213
H      -3.58887    6.01450    6.39212
H       2.72485    2.08079   -1.10213
H       2.25081   -4.85840   -4.72753
H      -1.38680   -0.92470   -0.56246
H      -2.25081    4.85840    4.72753
H       1.38680    0.92470    0.56246
O       8.33464   -6.26207   -6.18982
O      -7.47062   -2.32836    0.89983
O      -8.33464    6.26207    6.18982
O       7.47062    2.32836   -0.89983
O       6.76407   -7.84383   -6.11719
O      -5.90005   -3.91013    0.82719
O      -6.76407    7.84383    6.11719
O       5.90005    3.91013   -0.82719
 132
La=   14.63115    0.00000   -1.72803 Lb=    0.00000    7.86739    0.00001 Lc=    0.00000    0.00000   10.57999 t= 0ps
C       7.18118   -6.58250   -6.41557
C      -6.31716   -2.64880    1.12557
C      -7.18118    6.58250    6.41557
C       6.31716    2.64880   -1.12557
C       6.89696   -4.63175   -8.02242
C      -6.03294   -0.69804    2.73242
C      -6.89696    4.63175    8.02242
C       6.03294    0.69804   -2.73242
C       6.19942   -5.63663   -7.06841
C      -5.33540   -1.70292    1.77841
C      -6.19942    5.63663    7.06841
C       5.33540    1.70292   -1.77841
C       0.93023   -1.29264   -2.68364
C      -0.06621    2.64106   -2.60635
C      -0.93023    1.29264    2.68364
C       0.06621   -2.64106    2.60635
C       2.57704   -0.79346   -4.55568
C      -1.71302    3.14025   -0.73432
C      -2.57704    0.79346    4.55568
C       1.71302   -3.14025    0.73432
C       1.89534   -1.91758   -3.72720
C      -1.03132    2.01611   -1.56279
C      -1.89534    1.91758    3.72720
C       1.03132   -2.01611    1.56279
C       2.97547   -2.81852   -3.05936
C      -2.11145    1.11517   -2.23063
C      -2.97547    2.81852    3.05936
C       2.11145   -1.11517    2.23063
C       5.93834   -3.87927   -5.23771
C      -5.07433    0.05444   -0.05228
C      -5.93834    3.87927    5.23771
C       5.07433   -0.05444    0.05228
C       5.16593   -3.21318   -4.27772
C      -4.30191    0.72052   -1.01227
C      -5.16593    3.21318    4.27772
C       4.30191   -0.72052    1.01227
C       5.37956   -4.91128   -6.01549
C      -4.51554   -0.97757    0.72550
C      -5.37956    4.91128    6.01549
C       4.51554    0.97757   -0.72550
C       4.03175   -5.25324   -5.81565
C      -3.16773   -1.31954    0.52565
C      -4.03175    5.25324    5.81565
C       3.16773    1.31954   -0.52565
C       3.81782   -3.56709   -4.07125
C      -2.95381    0.36661   -1.21875
C      -3.81782    3.56709    4.07125
C       2.95381   -0.36661    1.21875
C       3.25728   -4.58933   -4.85562
C      -2.39327   -0.65563   -0.43437
C      -3.25728    4.58933    4.85562
C       2.39327    0.65563    0.43437
H       7.37256   -8.45473   -5.71987
H      -6.50854   -4.52103    0.42988
H      -7.37256    8.45473    5.71987
H       6.50854    4.52103   -0.42988
H       7.59130   -3.99426   -7.47301
H      -6.72728   -0.06055    2.18302
H      -7.59130    3.99426    7.47301
H       6.72728    0.06055   -2.18302
H       7.45027   -5.17727   -8.79070
H      -6.58625   -1.24356    3.50070
H      -7.45027    5.17727    8.79070
H       6.58625    1.24356   -3.50070
H       6.14856   -4.00307   -8.50937
H      -5.28454   -0.06936    3.21937
H      -6.14856    4.00307    8.50937
H       5.28454    0.06936   -3.21937
H       5.59665   -6.44357   -7.49260
H      -4.73263   -2.50986    2.20260
H      -5.59665    6.44357    7.49260
H       4.73263    2.50986   -2.20260
H       0.21662   -0.63756   -3.18646
H       0.64740    3.29614   -2.10353
H      -0.21662    0.63756    3.18646
H      -0.64740   -3.29614    2.10353
H       0.37380   -2.07525   -2.17008
H       0.49022    1.85845   -3.11992
H      -0.37380    2.07525    2.17008
H      -0.49022   -1.85845    3.11992
H       1.49039   -0.71118   -1.95306
H      -0.62638    3.22252   -3.33693
H      -1.49039    0.71118    1.95306
H       0.62638   -3.22252    3.33693
H       3.22648   -1.23832   -5.31517
H      -2.36246    2.69539    0.02517
H      -3.22648    1.23832    5.31517
H       2.36246   -2.69539   -0.02517
H       1.82078   -0.18823   -5.05522
H      -0.95677    3.74547   -0.23477
H      -1.82078    0.18823    5.05522
H       0.95677   -3.74547    0.23477
H       3.17268   -0.15594   -3.91047
H      -2.30866    3.77776   -1.37953
H      -3.17268    0.15594    3.91047
H       2.30866   -3.77776    1.37953
H       2.39328   -1.21620   -4.40241
H      -1.52926    2.71750   -0.88759
H      -2.39328    1.21620    4.40241
H       1.52926   -2.71750    0.88759
H       2.09675   -3.41339   -2.80493
H      -1.23273    0.52030   -2.48506
H      -2.09675    3.41339    2.80493
H       1.23273   -0.52030    2.48506
H       3.56961   -2.69383   -2.14610
H      -2.70559    1.23986   -3.14389
H      -3.56961    2.69383    2.14610
H       2.70559   -1.23986    3.14389
H       6.94062   -3.59409   -5.37432
H      -6.07661    0.33962    0.08432
H      -6.94062    3.59409    5.37432
H       6.07661   -0.33962   -0.08432
H       5.59847   -2.44236   -3.70967
H      -4.73445    1.49134   -1.58032
H      -5.59847    2.44236    3.70967
H       4.73445   -1.49134    1.58032
H       3.58887   -6.01450   -6.39212
H      -2.72485   -2.08079    1.10213
H      -3.58887    6.01450    6.39212
H       2.72485    2.08079   -1.10213
H       2.25081   -4.85840   -4.72753
H      -1.38680   -0.92470   -0.56246
H      -2.25081    4.85840    4.72753
H       1.38680    0.92470    0.56246
O       8.34190   -6.24515   -6.19578
O      -7.47789   -2.31145    0.90578
O      -8.34190    6.24515    6.19578
O       7.47789    2.31145   -0.90578
O       6.78117   -7.83594   -6.10927
O      -5.91715   -3.90223    0.81928
O      -6.78117    7.83594    6.10927
O       5.91715    3.90223   -0.81928
