78
XYZ file                                                                        
C         -1.407529     0.350136    -1.845828   # 00001
C          0.872064     1.291421    -1.509557   # 00002
C         -0.006573     0.265690    -2.034549   # 00003
C          0.556686    -1.039695    -2.335884   # 00004
C          0.313187     2.486641    -0.958590   # 00005
C         -1.121062     2.587840    -0.833294   # 00006
C         -2.001604     1.530261    -1.286550   # 00007
C         -0.191442    -2.201536    -2.113641   # 00008
C         -1.517507    -2.095802    -1.774599   # 00009
C         -2.145630    -0.846769    -1.842778   # 00010
C          1.903584    -1.327677    -2.168991   # 00011
C          2.750694    -0.372233    -1.627669   # 00012
C          2.259377     0.902743    -1.263518   # 00013
C          3.049422     1.787785    -0.416644   # 00014
C          2.593438     3.049510     0.015074   # 00015
C          1.196896     3.389956    -0.251939   # 00016
C         -3.463286    -0.822956    -1.394365   # 00017
C         -4.082017     0.327226    -0.930692   # 00018
C         -3.354059     1.525174    -0.832410   # 00019
C          1.938611    -2.678161    -1.786221   # 00020
C          0.668483    -3.268117    -1.735607   # 00021
C          0.667507     4.525626     0.427843   # 00022
C         -0.705664     4.726262     0.396474   # 00023
C         -1.566100     3.613115     0.020965   # 00024
C         -2.886669     3.619919     0.476096   # 00025
C         -3.786846     2.491066     0.199527   # 00026
C          0.287099    -4.125375    -0.692768   # 00027
C         -1.088679    -4.124446    -0.341216   # 00028
C         -1.998067    -3.167094    -0.906875   # 00029
C         -3.267947    -3.013992    -0.267143   # 00030
C         -4.022417    -1.913095    -0.643220   # 00031
C          2.846574    -3.020347    -0.778134   # 00032
C          3.923495    -2.196179    -0.527425   # 00033
C          3.912971    -0.866812    -1.022911   # 00034
C          4.610098    -0.103687    -0.111088   # 00035
C          4.319207     1.248872     0.083127   # 00036
C          1.230833    -4.730746     0.139323   # 00037
C          2.558530    -4.070007     0.166939   # 00038
C          4.952417     1.917147     1.158927   # 00039
C          4.586044     3.293157     1.350080   # 00040
C          3.377097     3.862523     0.868374   # 00041
C          2.866752     5.126779     1.349389   # 00042
C          1.479769     5.417167     1.161667   # 00043
C         -5.070541    -1.407627     0.164505   # 00044
C         -5.088252    -0.029031     0.032210   # 00045
C         -5.483988     0.890246     1.066558   # 00046
C         -4.920931     2.184658     1.046854   # 00047
C          5.241815    -0.941000     0.795404   # 00048
C          4.763332    -2.278766     0.610199   # 00049
C          4.641717    -3.374671     1.508985   # 00050
C          3.512469    -4.235138     1.250583   # 00051
C          5.916149    -0.294519     1.851081   # 00052
C          5.885229     1.109948     1.957867   # 00053
C         -3.642188    -3.742376     0.886672   # 00054
C         -2.750470    -4.729581     1.371001   # 00055
C         -1.487101    -4.927663     0.751046   # 00056
C         -0.553781    -5.814707     1.395609   # 00057
C          0.839393    -5.668479     1.123531   # 00058
C         -4.696271    -3.222391     1.734456   # 00059
C         -5.371566    -2.013606     1.408651   # 00060
C         -6.050766    -1.172996     2.365008   # 00061
C         -6.008357     0.248774     2.195367   # 00062
H         -0.996123     5.472285     1.121377   # 00063
H         -3.174413     4.416764     1.145903   # 00064
H          5.047709     3.803703     2.182310   # 00065
H          3.513200     5.738921     1.960771   # 00066
H          1.052683     6.338745     1.528671   # 00067
H         -5.068906     2.814319     1.911741   # 00068
H          5.324407    -3.582563     2.319611   # 00069
H          3.359795    -4.985117     2.012569   # 00070
H          6.532688    -0.850108     2.542168   # 00071
H          6.434230     1.716859     2.662606   # 00072
H         -2.711100    -5.279370     2.299754   # 00073
H         -0.906963    -6.455331     2.190130   # 00074
H          1.597840    -6.115146     1.749347   # 00075
H         -4.987115    -3.642726     2.685839   # 00076
H         -6.287246    -1.449043     3.382001   # 00077
H         -6.379797     0.960249     2.918026   # 00078
UNC  100.000    0.000    0.000    0.000  100.000    0.000    0.000    0.000  100.000
