82
XYZ file                                                                        
C          0.300800     0.740216    -1.537466   # 00001
C         -1.865587    -0.339735    -1.940316   # 00002
C         -1.082743     0.806389    -1.633909   # 00003
C         -1.927767     1.673379    -0.943379   # 00004
C         -1.287083    -1.606255    -2.025521   # 00005
C          0.118665    -1.681290    -1.988942   # 00006
C          0.898078    -0.492671    -1.819397   # 00007
C         -1.339998     2.497816     0.057178   # 00008
C          0.083121     2.501383     0.148301   # 00009
C          0.871199     1.637123    -0.643882   # 00010
C         -3.211345     1.078822    -0.837526   # 00011
C         -3.183400    -0.133506    -1.551573   # 00012
C         -4.008383    -1.154570    -1.055785   # 00013
C         -3.453829    -2.450441    -1.221742   # 00014
C         -2.114272    -2.667499    -1.765874   # 00015
C          2.270741     1.567479    -0.353679   # 00016
C          2.908689     0.405489    -0.863587   # 00017
C          2.260552    -0.643259    -1.517924   # 00018
C         -4.020830     1.456374     0.234573   # 00019
C         -3.591277     2.448184     1.150959   # 00020
C         -2.244692     2.974108     1.016299   # 00021
C         -4.956074    -0.786302    -0.102130   # 00022
C         -4.958609     0.487547     0.576690   # 00023
C         -1.537844    -3.919395    -1.872049   # 00024
C         -0.100593    -4.060554    -2.035109   # 00025
C          0.750253    -2.927818    -2.080620   # 00026
C          2.172765    -3.008464    -2.020620   # 00027
C          2.932199    -1.863429    -1.696379   # 00028
C         -1.676768     3.725130     2.061687   # 00029
C         -0.288380     4.009038     2.057175   # 00030
C          0.597316     3.350395     1.127754   # 00031
C          1.997556     3.435311     1.231870   # 00032
C          2.791240     2.534768     0.475775   # 00033
C         -5.658207     0.705789     1.807631   # 00034
C         -5.286699     1.782259     2.673047   # 00035
C         -4.243255     2.639071     2.356780   # 00036
C         -3.753803     3.580291     3.273253   # 00037
C         -2.448515     4.169026     3.131124   # 00038
C         -5.574896    -1.883627     0.532494   # 00039
C         -5.277109    -3.252630     0.100139   # 00040
C         -4.176874    -3.528788    -0.772203   # 00041
C         -3.654013    -4.850286    -1.023440   # 00042
C         -2.340345    -5.024185    -1.662192   # 00043
C         -6.520143    -0.332408     2.261996   # 00044
C         -6.457111    -1.627142     1.655234   # 00045
C          4.200335     2.509775     0.674277   # 00046
C          4.944245     1.448187     0.037405   # 00047
C          4.310543     0.327370    -0.640227   # 00048
C          4.949862    -0.883551    -0.907231   # 00049
C          4.301230    -1.973442    -1.473136   # 00050
C          2.574652     4.317865     2.199202   # 00051
C          1.741378     5.069329     3.091292   # 00052
C          0.337895     4.715585     3.099955   # 00053
C         -0.512047     5.292968     4.135646   # 00054
C         -1.863723     4.976081     4.152310   # 00055
C          3.995608     4.401851     2.269019   # 00056
C          4.799178     3.436122     1.581966   # 00057
C          2.741726    -4.295934    -2.056351   # 00058
C          1.862546    -5.445010    -1.963690   # 00059
C          0.444981    -5.343685    -1.993316   # 00060
C         -0.414148    -6.487969    -1.939193   # 00061
C         -1.818336    -6.367375    -1.832770   # 00062
C          4.110560    -4.442976    -1.802950   # 00063
C          4.903630    -3.240135    -1.495856   # 00064
H         -5.703000     1.862752     3.666332   # 00065
H         -4.225633     3.609951     4.244281   # 00066
H         -5.752117    -4.129895     0.513870   # 00067
H         -4.237810    -5.653983    -0.599586   # 00068
H         -7.100913    -0.261595     3.169791   # 00069
H         -6.986324    -2.506380     1.991797   # 00070
H          5.981786     1.358051     0.323384   # 00071
H          5.993370    -0.966310    -0.641442   # 00072
H          2.093365     5.657157     3.926135   # 00073
H         -0.158476     5.972480     4.896995   # 00074
H         -2.356033     5.369709     5.029286   # 00075
H          4.435945     5.019519     3.037778   # 00076
H          5.876474     3.414899     1.655331   # 00077
H          2.205537    -6.469083    -1.958072   # 00078
H         -0.091178    -7.507534    -2.089456   # 00079
H         -2.407806    -7.261878    -1.695691   # 00080
H          4.405496    -5.430676    -1.480676   # 00081
H          5.968631    -3.359772    -1.362213   # 00082
UNC  100.000    0.000    0.000    0.000  100.000    0.000    0.000    0.000  100.000
