102
shelx
C       3.983062    9.077097    5.775253
C       3.468567   10.365696    6.077729
H       2.611209   10.555573    6.440427
C       4.422222   11.276108    5.756235
H       4.354759   12.217312    5.868381
C       5.550510   10.572029    5.218904
C       6.704543   11.026249    4.613954
C       7.593366   10.141330    3.954667
C       8.707457   10.515471    3.156519
H       9.033763   11.399276    3.035317
C       9.226026    9.389107    2.595642
H       9.971719    9.350729    2.008954
C       8.459480    8.286702    3.040449
C       8.585711    6.957612    2.627036
C       7.680961    5.950508    2.958793
C       7.713169    4.599027    2.521381
H       8.371295    4.207091    1.959146
C       6.634634    3.966882    3.050864
H       6.399847    3.056192    2.917587
C       5.918706    4.905997    3.838597
C       4.740001    4.636166    4.557504
C       4.068747    5.618823    5.247582
C       2.730461    5.669230    5.741595
H       2.140847    4.929241    5.829137
C       2.441165    6.964799    6.070635
H       1.614777    7.286533    6.411749
C       3.591715    7.737168    5.812233
C       7.009518   12.484672    4.592521
C       7.658318   15.205230    4.588899
C       6.857981   13.258421    3.438316
H       6.551250   12.846464    2.638356
C       7.143066   14.602007    3.436806
H       6.991858   15.121374    2.656469
C       7.805582   14.468024    5.691786
H       8.157078   14.864206    6.479670
C       7.451166   13.124214    5.696314
H       7.522107   12.635078    6.508348
C       8.560904   17.173197    5.589150
H       7.984984   17.116026    6.380053
H       8.722335   18.114638    5.370293
H       9.415261   16.729782    5.774801
C       9.706055    6.599793    1.699989
C       9.418905    6.128180    0.433638
H       8.514316    6.087322    0.147917
C      10.425555    5.712342   -0.433487
H      10.211188    5.396405   -1.304085
C      11.746429    5.765567   -0.010113
C      12.056192    6.274236    1.241899
H      12.963534    6.337221    1.518413
C      11.040683    6.690809    2.091969
H      11.257953    7.041185    2.947775
C       4.267766    3.203068    4.624670
C       3.688354    2.644199    3.527368
H       3.570845    3.172013    2.745521
C       3.260338    1.312539    3.521330
H       2.876086    0.930194    2.740993
C       3.409258    0.567316    4.669951
C       3.991673    1.103427    5.777819
H       4.105097    0.575613    6.559666
C       4.417405    2.420209    5.759707
H       4.817598    2.793685    6.537026
O       3.031804   -0.757305    4.793718
C       2.283665   -1.347655    3.906216
H       1.577602   -1.854084    4.359024
H       2.831557   -1.957280    3.370395
H       1.878175   -0.673759    3.320586
N       5.248748    9.214765    5.261770
N       7.458114    8.756021    3.896556
N       6.561585    6.134844    3.783204
N       4.586653    6.902206    5.348709
O       7.929628   16.538339    4.499847
Cl      7.627204    8.813599    6.942892
Cl      7.219707    5.758355    6.590004
Mo      6.485249    7.582335    5.269317
O      12.802358    5.323454   -0.767206
C      12.469707    4.790757   -2.046688
H      11.827244    4.059163   -1.939524
H      13.281040    4.451720   -2.481383
H      12.073010    5.494884   -2.600622
C       6.266856   13.367646    3.916782
H       5.519145   13.064715    3.414166
C       6.576250   14.726981    3.937913
H       6.008309   15.336687    3.482087
C       8.480424   14.279679    5.340106
H       9.221963   14.592348    5.844231
C       8.173179   12.945040    5.312937
H       8.726723   12.321049    5.767254
C       3.894625    3.410104    4.162807
C       3.189934    3.150733    3.032299
H       3.114921    3.830874    2.372709
C       2.555142    1.912516    2.798348
H       2.087827    1.733746    1.990842
C       2.648660    0.987991    3.789996
C       3.330518    1.206246    4.912958
H       3.396626    0.526751    5.574056
C       3.949330    2.454083    5.109174
H       4.411662    2.624182    5.921208
O       2.028328   -0.237918    3.482087
C       2.795908   -1.351587    3.397563
H       3.329722   -1.318585    2.574963
H       2.222437   -2.144580    3.382469
H       3.394764   -1.393999    4.173373
