92
XYZ file                                                                        
C          1.168972     0.786600     1.233952   # 00001
C          0.341125    -1.541674     1.207414   # 00002
C          0.095380    -0.155938     1.291086   # 00003
C         -1.264908     0.223441     1.054388   # 00004
C          1.650223    -1.968606     1.339854   # 00005
C          2.707513    -1.089602     1.441179   # 00006
C          2.482514     0.294568     1.173422   # 00007
C         -1.553967     1.563725     0.883111   # 00008
C         -0.511912     2.523273     0.882416   # 00009
C          0.827587     2.148243     0.964036   # 00010
C         -2.298516    -0.760063     0.764815   # 00011
C         -1.938669    -2.110864     0.613740   # 00012
C         -0.613172    -2.514910     0.766787   # 00013
C         -0.155093    -3.799417     0.254889   # 00014
C          1.257055    -4.053459     0.079246   # 00015
C          2.115505    -3.135855     0.710081   # 00016
C          1.891688     3.030615     0.653552   # 00017
C          3.227459     2.498087     0.455393   # 00018
C          3.545810     1.106091     0.718585   # 00019
C         -3.653460    -0.369823     0.614971   # 00020
C         -3.996733     0.972519     0.714760   # 00021
C         -2.914874     1.964116     0.732445   # 00022
C          3.427962    -2.933811     0.307759   # 00023
C          3.801423    -1.668856     0.787792   # 00024
C          4.722813    -0.979099     0.089160   # 00025
C          4.677785     0.442454     0.129464   # 00026
C         -3.218176     3.351275     0.682765   # 00027
C         -2.142424     4.294084     0.507442   # 00028
C         -0.781412     3.862318     0.582723   # 00029
C          0.278935     4.766014     0.321744   # 00030
C          1.660384     4.368217     0.327706   # 00031
C         -4.643182    -1.352388     0.425382   # 00032
C         -4.244555    -2.672241     0.086177   # 00033
C         -2.909327    -3.011377     0.146076   # 00034
C         -2.414689    -4.258339    -0.306257   # 00035
C         -1.083589    -4.680894    -0.353107   # 00036
C         -5.979399    -0.972692     0.423546   # 00037
C         -6.261760     0.387033     0.574876   # 00038
C         -5.311988     1.411510     0.677393   # 00039
C         -5.615003     2.814224     0.799629   # 00040
C         -4.554132     3.772445     0.681326   # 00041
C         -0.535090    -5.874418    -1.004117   # 00042
C          0.906967    -5.994730    -1.260744   # 00043
C          1.826947    -4.970885    -0.818649   # 00044
C          3.195690    -4.777777    -1.210633   # 00045
C          3.973841    -3.644034    -0.778518   # 00046
C          5.108410    -2.991317    -1.330496   # 00047
C          5.414424    -1.632715    -0.959707   # 00048
C          2.702571     5.232844     0.016904   # 00049
C          3.998947     4.696941    -0.174325   # 00050
C          4.258403     3.299238    -0.118211   # 00051
C          5.432849     2.680459    -0.637455   # 00052
C          5.600811     1.229406    -0.600924   # 00053
C          6.358122    -0.882712    -1.710403   # 00054
C          6.495616     0.531537    -1.462934   # 00055
C         -3.383680    -5.249829    -0.787841   # 00056
C         -4.769534    -4.910879    -0.738988   # 00057
C         -5.230726    -3.665919    -0.237821   # 00058
C         -2.851209    -6.481898    -1.388463   # 00059
C         -1.459273    -6.747723    -1.566731   # 00060
C         -6.635167    -3.303522    -0.230869   # 00061
C         -6.976735    -1.957826     0.063826   # 00062
C         -0.051637     6.104627     0.019535   # 00063
C         -1.387096     6.613700     0.133848   # 00064
C         -2.399861     5.698858     0.450755   # 00065
C         -3.753918     6.148187     0.580565   # 00066
C         -4.825746     5.140588     0.599845   # 00067
C          1.037207     7.040972    -0.159874   # 00068
C          2.384798     6.575326    -0.259113   # 00069
C          7.109808    -1.425290    -2.718449   # 00070
C          6.927926    -2.805679    -3.026572   # 00071
C          5.838643    -3.549090    -2.384472   # 00072
H         -7.279044     0.746930     0.530058   # 00073
H         -6.624595     3.153741     0.978101   # 00074
H          1.249026    -6.887199    -1.763630   # 00075
H          3.495218    -5.289698    -2.113196   # 00076
H          4.827827     5.259731    -0.577594   # 00077
H          6.028451     3.259787    -1.327409   # 00078
H          7.134061     1.177057    -2.047820   # 00079
H         -5.508895    -5.610620    -1.099694   # 00080
H         -3.476561    -7.148638    -1.963608   # 00081
H         -1.179872    -7.670354    -2.053646   # 00082
H         -7.391139    -4.063684    -0.361482   # 00083
H         -8.006401    -1.631976     0.060864   # 00084
H         -1.399602     7.690121     0.220807   # 00085
H         -3.801984     7.226845     0.604778   # 00086
H         -5.889482     5.327015     0.589316   # 00087
H          0.755065     8.071212    -0.319252   # 00088
H          3.226467     7.238305    -0.394950   # 00089
H          7.783041    -0.788322    -3.272912   # 00090
H          7.410723    -3.291311    -3.861717   # 00091
H          5.781307    -4.611635    -2.569161   # 00092
UNC  100.000    0.000    0.000    0.000  100.000    0.000    0.000    0.000  100.000
