69
GEPCEJ
Mo      2.574002    6.498358   10.546242
S       1.838883    4.190771   10.451972
S       4.515463    5.845337   11.850596
S       3.421682    8.763113   10.474254
S       0.746549    7.127028    9.082486
C       2.110881    3.343920   12.044278
C       3.572149    3.231948   12.486490
C       4.106018    4.538643   13.055538
C       4.917673    7.092240   13.124098
C       5.327118    8.479380   12.582474
C       4.124827    9.271876   12.093984
C       2.089179   10.006756   10.491394
C       1.093781    9.936094    9.310448
C       0.091148    8.779420    9.486990
C      -0.807314    6.245390    9.459566
C      -0.724847    4.703882    9.344728
C       0.020255    4.064667   10.513676
C       4.459038    2.710140   11.356964
C       3.589511    2.206813   13.653724
C       5.868221    9.254482   13.794272
C       6.410771    8.388064   11.512938
C       0.277786   11.237353    9.361868
C       1.815734    9.831732    7.970100
C      -0.144680    4.292958    7.994096
C      -2.183221    4.210338    9.444140
N       3.599638    6.104067    8.866522
N       4.110359    5.886647    7.906682
N       1.478630    6.816117   12.177970
N       0.833357    6.931350   13.067536
H       1.707224    2.413362   11.980860
H       1.577012    3.837463   12.752160
H       3.428916    4.891950   13.694860
H       4.948056    4.315787   13.574880
H       5.656988    6.761762   13.694860
H       4.108912    7.229215   13.712000
H       3.414448    9.185995   12.786440
H       4.398272   10.229611   12.032280
H       2.517432   10.914484   10.489680
H       1.577012    9.903481   11.346680
H      -0.217020    8.762026   10.455400
H      -0.723400    8.946833    8.912800
H      -1.519140    6.598697    8.844240
H      -1.070632    6.500858   10.403980
H      -0.303828    4.489723   11.380960
H      -0.231488    3.087364   10.558240
H       4.398272    3.326526   10.592520
H       5.411032    2.652524   11.689480
H       4.137848    1.793715   11.089580
H       3.240832    1.326262   13.317780
H       4.528484    2.098103   13.986240
H       3.009344    2.532943   14.397600
H       6.684216    8.772897   14.140500
H       6.177836   10.175256   13.472040
H       5.179544    9.349060   14.483300
H       6.062092    7.848862   10.746780
H       6.640812    9.316447   11.192420
H       7.219532    7.957572   11.895160
H       0.882548   12.045068    9.272740
H      -0.405104   11.273227    8.621420
H      -0.217020   11.316711   10.249720
H       2.401688    8.990317    7.970100
H       1.157440    9.762158    7.233080
H       2.416156   10.620967    7.850120
H       0.766804    4.674530    7.901540
H      -0.115744    3.293913    7.952960
H      -0.752336    4.631046    7.284500
H      -2.734452    4.598433    8.707120
H      -2.199136    3.196074    9.375580
H      -2.575304    4.478852   10.318280
