88
XYZ file                                                                        
C          0.722816     2.504111     0.429776   # 00001
C          2.099589     0.855882     1.471162   # 00002
C          0.850844     1.481487     1.354172   # 00003
C         -0.322616     0.787052     1.776666   # 00004
C          3.146694     1.130664     0.477734   # 00005
C          2.905226     2.067716    -0.586201   # 00006
C          1.687431     2.706510    -0.561993   # 00007
C         -1.603042     1.199212     1.337986   # 00008
C         -1.720611     2.205764     0.354943   # 00009
C         -0.511575     2.891621    -0.005236   # 00010
C         -0.280997    -0.411395     2.574500   # 00011
C          0.984396    -0.978722     2.796127   # 00012
C          2.148667    -0.285271     2.302216   # 00013
C          3.361800    -0.978666     2.247735   # 00014
C          4.378003    -0.784648     1.270764   # 00015
C          4.173965     0.182754     0.275567   # 00016
C         -0.250364     3.303433    -1.357985   # 00017
C          1.082946     3.194805    -1.717077   # 00018
C         -1.475196    -1.158007     2.888000   # 00019
C         -2.693271    -0.718158     2.376125   # 00020
C         -2.811037     0.426390     1.552850   # 00021
C          4.703833    -0.031880    -1.018580   # 00022
C          4.398934     0.905547    -2.005892   # 00023
C          3.509009     1.963974    -1.806008   # 00024
C          2.904399     2.278101    -3.024325   # 00025
C          1.563972     2.871953    -3.021792   # 00026
C         -4.020213     0.642171     0.828831   # 00027
C         -3.909867     1.441247    -0.343392   # 00028
C         -2.788755     2.230416    -0.570901   # 00029
C         -2.534165     2.686274    -1.903906   # 00030
C         -1.260393     3.139918    -2.340073   # 00031
C          0.535941     2.987316    -4.047702   # 00032
C         -0.886506     3.076715    -3.730609   # 00033
C         -1.322271    -2.440775     3.463647   # 00034
C         -0.047452    -2.994933     3.585892   # 00035
C          1.129886    -2.301182     3.203926   # 00036
C          2.319541    -3.028248     3.075673   # 00037
C          3.403199    -2.370477     2.573387   # 00038
C         -2.449579    -3.259121     3.632002   # 00039
C         -3.726756    -2.810647     3.266339   # 00040
C         -3.863860    -1.562107     2.559880   # 00041
C         -5.076122    -1.237469     1.957021   # 00042
C         -5.210200    -0.098009     1.076678   # 00043
C          4.312144    -2.994414     1.761159   # 00044
C          4.922929    -2.012797     0.911104   # 00045
C          5.281512    -2.362083    -0.417176   # 00046
C          5.380155    -1.255086    -1.386109   # 00047
C          3.601514     1.558454    -4.028575   # 00048
C          4.513941     0.656828    -3.366212   # 00049
C          5.005790    -0.613103    -3.809023   # 00050
C          5.468631    -1.510919    -2.809459   # 00051
C          2.299667    -4.469381     3.046833   # 00052
C          1.185249    -5.140469     3.524723   # 00053
C          0.078588    -4.419122     3.939703   # 00054
C          3.328834    -5.119324     2.172246   # 00055
C          4.208064    -4.339461     1.448091   # 00056
C         -1.043977    -5.195342     4.328854   # 00057
C         -2.341642    -4.628548     4.078158   # 00058
C          4.911199    -4.782228     0.266976   # 00059
C          5.426142    -3.776193    -0.630913   # 00060
C         -3.565583     2.538903    -2.843790   # 00061
C         -4.891671     2.222785    -2.396131   # 00062
C         -5.051754     1.594591    -1.155601   # 00063
C         -3.316092     2.728419    -4.228974   # 00064
C         -1.990592     3.003627    -4.631086   # 00065
C         -6.290679     0.925737    -0.872123   # 00066
C         -6.363969     0.076969     0.289162   # 00067
C         -1.680257     2.857094    -6.005627   # 00068
C         -0.317777     2.850412    -6.375921   # 00069
C          0.807047     2.973053    -5.434956   # 00070
H         -4.560161    -3.496480     3.304654   # 00071
H         -5.883376    -1.949175     2.047663   # 00072
H          3.199352     1.457805    -5.025839   # 00073
H          5.045954    -0.863829    -4.858748   # 00074
H          5.962040    -2.409492    -3.149331   # 00075
H          1.098915    -6.210941     3.410544   # 00076
H          3.063068    -6.152072     2.001365   # 00077
H         -1.137985    -6.265744     4.437485   # 00078
H         -3.274563    -5.172558     4.088710   # 00079
H          4.902766    -5.797706    -0.100629   # 00080
H          5.867254    -4.173162    -1.533263   # 00081
H         -5.765085     2.201932    -3.031043   # 00082
H         -4.079707     2.578191    -4.977788   # 00083
H         -7.078587     1.102576    -1.589290   # 00084
H         -7.210957    -0.535489     0.561021   # 00085
H         -2.401197     2.873692    -6.809599   # 00086
H          0.025784     2.710254    -7.390180   # 00087
H          1.844602     2.945116    -5.733451   # 00088
UNC  100.000    0.000    0.000    0.000  100.000    0.000    0.000    0.000  100.000
