84
XYZ file                                                                        
C         -0.332499     2.193305    -1.803684   # 00001
C          1.426364     0.520226    -1.787004   # 00002
C          0.202831     1.017813    -2.283490   # 00003
C         -0.827987     0.139299    -2.684847   # 00004
C          2.177956     1.390424    -0.941110   # 00005
C          1.613203     2.606802    -0.440763   # 00006
C          0.273642     2.914763    -0.784283   # 00007
C         -2.063865     0.837533    -2.504058   # 00008
C         -1.736338     2.059637    -1.884068   # 00009
C         -0.743693    -1.226129    -2.363533   # 00010
C          0.522147    -1.770682    -2.057467   # 00011
C          1.627408    -0.887812    -1.809416   # 00012
C          2.803363    -1.403747    -1.195510   # 00013
C          3.714686    -0.532376    -0.570052   # 00014
C          3.334539     0.835146    -0.326431   # 00015
C         -2.506986     2.572114    -0.839665   # 00016
C         -1.937168     3.470283     0.106350   # 00017
C         -0.506795     3.692964     0.112601   # 00018
C         -1.942625    -1.950334    -2.016207   # 00019
C         -3.143322    -1.246863    -1.827218   # 00020
C         -3.188227     0.107747    -2.057255   # 00021
C         -3.675036     1.868473    -0.448309   # 00022
C         -4.016422     0.660949    -1.097306   # 00023
C          4.057064     1.646070     0.650215   # 00024
C          3.552148     2.918014     1.057697   # 00025
C          2.293867     3.318038     0.585065   # 00026
C          1.531080     4.292676     1.299275   # 00027
C          0.122376     4.407500     1.122522   # 00028
C         -1.826321    -3.221067    -1.396437   # 00029
C         -0.532332    -3.875522    -1.332904   # 00030
C          0.616720    -3.143523    -1.695737   # 00031
C          1.913717    -3.692024    -1.333243   # 00032
C          3.007674    -2.800530    -1.093267   # 00033
C         -4.276049     2.113354     0.830316   # 00034
C         -3.909538     3.299289     1.544477   # 00035
C         -2.670327     3.969933     1.203605   # 00036
C         -2.078303     4.979310     2.020610   # 00037
C         -0.652618     5.191027     1.992104   # 00038
C         -4.684699    -0.413787    -0.408708   # 00039
C         -4.109160    -1.658984    -0.899060   # 00040
C         -4.132322    -2.992552    -0.411154   # 00041
C         -2.990401    -3.827727    -0.756010   # 00042
C         -5.347761    -0.154051     0.817637   # 00043
C         -5.212464     1.154662     1.393643   # 00044
C          4.245343    -3.299039    -0.589131   # 00045
C          5.209454    -2.363791    -0.095100   # 00046
C          4.865118    -1.014054     0.067725   # 00047
C          5.728326    -0.144589     0.839080   # 00048
C          5.283308     1.176569     1.192107   # 00049
C          2.015987    -5.054842    -0.948841   # 00050
C          0.832479    -5.829919    -0.798525   # 00051
C         -0.471358    -5.187381    -0.865597   # 00052
C         -1.654228    -5.866667    -0.410955   # 00053
C         -2.882458    -5.161761    -0.303710   # 00054
C          3.292889    -5.614353    -0.602352   # 00055
C          4.395363    -4.743813    -0.377561   # 00056
C          2.178666     4.995597     2.335604   # 00057
C          3.541517     4.736815     2.662159   # 00058
C          4.222078     3.666970     2.044476   # 00059
C          1.407201     5.900211     3.107414   # 00060
C         -0.006480     6.053221     2.925189   # 00061
C          5.470050     3.199219     2.574893   # 00062
C          5.988457     1.930324     2.167428   # 00063
C         -5.914972     1.533834     2.582458   # 00064
C         -5.649965     2.721957     3.267078   # 00065
C         -4.623023     3.580309     2.775861   # 00066
H         -2.628898     5.423957     2.836418   # 00067
H         -4.866415    -3.359705     0.290782   # 00068
H         -5.833396    -0.964590     1.340685   # 00069
H          6.061526    -2.865347     0.339429   # 00070
H          6.614231    -0.502170     1.342786   # 00071
H          0.828722    -6.854136    -0.455945   # 00072
H         -1.569528    -6.899078    -0.105410   # 00073
H         -3.749165    -5.580272     0.186274   # 00074
H          3.417417    -6.667051    -0.395642   # 00075
H          5.366209    -5.134264    -0.110325   # 00076
H          3.990466     5.238652     3.506559   # 00077
H          1.982585     6.474595     3.818348   # 00078
H         -0.505401     6.604919     3.708205   # 00079
H          5.997284     3.754149     3.336792   # 00080
H          6.929389     1.701436     2.645616   # 00081
H         -6.601342     0.813401     3.002298   # 00082
H         -6.185926     2.989106     4.165845   # 00083
H         -4.427385     4.389337     3.464049   # 00084
UNC  100.000    0.000    0.000    0.000  100.000    0.000    0.000    0.000  100.000
