86
XYZ file                                                                        
C         -1.349771    -0.083328    -0.267837   # 00001
C          0.691057     1.233452    -0.103585   # 00002
C          0.051328    -0.024015    -0.198756   # 00003
C          0.839467    -1.214825    -0.067346   # 00004
C         -0.118122     2.437512    -0.108311   # 00005
C         -1.515434     2.373514    -0.255956   # 00006
C         -2.132261     1.103699    -0.348911   # 00007
C          0.200168    -2.474162    -0.025677   # 00008
C         -1.213170    -2.540602    -0.130885   # 00009
C         -1.978005    -1.369592    -0.308731   # 00010
C          2.237291    -1.135493     0.052989   # 00011
C          2.831860     0.152682     0.111281   # 00012
C          2.063432     1.323980     0.110453   # 00013
C          2.706641     2.577163     0.216684   # 00014
C          1.938508     3.778263     0.155524   # 00015
C          0.537238     3.693076    -0.012871   # 00016
C         -3.378824    -1.433260    -0.473019   # 00017
C         -4.170290    -0.248421    -0.560071   # 00018
C         -3.543043     1.019400    -0.476208   # 00019
C          3.035105    -2.334444     0.110279   # 00020
C          2.360325    -3.604541     0.123229   # 00021
C          0.953905    -3.686333     0.146913   # 00022
C         -0.259119     4.885557     0.062694   # 00023
C         -1.675685     4.779326    -0.046921   # 00024
C         -2.309756     3.533148    -0.196818   # 00025
C         -3.723995     3.458090    -0.208529   # 00026
C         -4.343512     2.180454    -0.407503   # 00027
C          0.306475    -4.943320     0.245843   # 00028
C         -1.120157    -5.006249     0.117607   # 00029
C         -1.880688    -3.811635    -0.091071   # 00030
C         -3.283974    -3.861500    -0.278918   # 00031
C         -4.049234    -2.701733    -0.467823   # 00032
C          4.423226    -2.230776     0.128117   # 00033
C          5.034706    -0.953905     0.201510   # 00034
C          4.259066     0.233098     0.186077   # 00035
C          4.918659     1.514516     0.255484   # 00036
C          4.123409     2.690756     0.247692   # 00037
C          5.183709    -3.396043     0.268433   # 00038
C          4.543581    -4.682696     0.388504   # 00039
C          3.114849    -4.792509     0.331285   # 00040
C          2.458720    -6.057169     0.510586   # 00041
C          1.051542    -6.119131     0.409122   # 00042
C          4.779640     3.952813     0.405773   # 00043
C          4.002003     5.141078     0.347352   # 00044
C          2.575624     5.050325     0.265886   # 00045
C          1.771647     6.214845     0.295079   # 00046
C          0.368346     6.142704     0.227440   # 00047
C         -5.457609    -2.792641    -0.642117   # 00048
C         -6.194296    -1.622015    -0.808599   # 00049
C         -5.567930    -0.348133    -0.713532   # 00050
C         -6.361306     0.833956    -0.658206   # 00051
C         -5.739017     2.107611    -0.532259   # 00052
C         -4.492077     4.660956    -0.123920   # 00053
C         -3.840566     5.889324     0.043982   # 00054
C         -2.428571     5.937048     0.075704   # 00055
C         -1.804811     7.214595     0.149600   # 00056
C         -0.408918     7.339014     0.272566   # 00057
C         -5.905265     4.551078    -0.180391   # 00058
C         -6.531059     3.299462    -0.419117   # 00059
C          6.324343     1.599108     0.365023   # 00060
C          7.100058     0.420490     0.308982   # 00061
C          6.451606    -0.843373     0.253584   # 00062
C          6.975122     2.862677     0.475907   # 00063
C          6.195328     4.023352     0.484681   # 00064
C          7.226216    -2.024511     0.266951   # 00065
C          6.577743    -3.284419     0.301327   # 00066
H         -1.594576    -5.975699     0.156260   # 00067
H         -3.793077    -4.813811    -0.296787   # 00068
H          5.088222    -5.602695     0.541366   # 00069
H          3.004848    -6.982149     0.622638   # 00070
H          0.572153    -7.081234     0.513730   # 00071
H          4.574902     6.056524     0.335270   # 00072
H          2.276419     7.168335     0.344686   # 00073
H         -5.968012    -3.743890    -0.610263   # 00074
H         -7.259758    -1.699494    -0.967306   # 00075
H         -7.439251     0.785874    -0.704263   # 00076
H         -4.317249     6.858422     0.048569   # 00077
H         -2.367721     8.134146     0.212513   # 00078
H         -0.019951     8.335730     0.419743   # 00079
H         -6.564807     5.400175    -0.078214   # 00080
H         -7.610999     3.290104    -0.425575   # 00081
H          8.172960     0.414650     0.432454   # 00082
H          8.044052     2.997343     0.551096   # 00083
H          6.737287     4.956850     0.520192   # 00084
H          8.302938    -2.092066     0.216895   # 00085
H          7.178323    -4.164930     0.475690   # 00086
UNC  100.000    0.000    0.000    0.000  100.000    0.000    0.000    0.000  100.000
