COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.087  -1.094   0.321  1.00  0.00           C  
HETATM    2  C   UNL     1       1.269  -2.590   0.061  1.00  0.00           C  
HETATM    3  C   UNL     1       2.532  -2.812  -0.731  1.00  0.00           C  
HETATM    4  C   UNL     1       3.708  -3.135  -0.080  1.00  0.00           C  
HETATM    5  C   UNL     1       4.866  -3.338  -0.806  1.00  0.00           C  
HETATM    6  C   UNL     1       4.849  -3.218  -2.183  1.00  0.00           C  
HETATM    7  C   UNL     1       3.673  -2.895  -2.834  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.629   3.111  -1.980  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.624   3.471  -0.885  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.214   3.508  -1.479  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.969   4.845  -0.307  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.398   1.204  -0.175  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.126  -1.153   0.381  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.705  -1.227  -0.181  1.00  0.00           C  
HETATM   15  C   UNL     1       2.513  -2.698  -2.108  1.00  0.00           C  
HETATM   16  C   UNL     1       2.192  -0.602   1.220  1.00  0.00           C  
HETATM   17  C   UNL     1       4.451   0.244   1.564  1.00  0.00           C  
HETATM   18  C   UNL     1       5.678   0.593   0.719  1.00  0.00           C  
HETATM   19  C   UNL     1       6.800   1.092   1.631  1.00  0.00           C  
HETATM   20  C   UNL     1       8.008   1.436   0.799  1.00  0.00           C  
HETATM   21  C   UNL     1       8.969   0.475   0.525  1.00  0.00           C  
HETATM   22  C   UNL     1      10.064   0.836  -0.245  1.00  0.00           C  
HETATM   23  C   UNL     1      10.160   2.134  -0.712  1.00  0.00           C  
HETATM   24  C   UNL     1       8.169   2.712   0.293  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.120  -1.624  -0.682  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.505  -1.668  -0.090  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.110  -2.739   0.448  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.598  -1.065   0.632  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.444  -0.548   0.014  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.395   0.797  -0.356  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.470   1.606  -0.115  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.610   1.102   0.494  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.680  -0.223   0.868  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.431   0.230   0.756  1.00  0.00           N  
HETATM   35  N   UNL     1       3.376  -0.234   0.691  1.00  0.00           N  
HETATM   36  N   UNL     1       9.227   3.022  -0.432  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.362  -2.398   0.883  1.00  0.00           N  
HETATM   38  O   UNL     1      -3.678   2.475   0.170  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.115   0.935  -1.326  1.00  0.00           O  
HETATM   40  O   UNL     1       2.016  -0.537   2.418  1.00  0.00           O  
HETATM   41  S   UNL     1      -0.516  -0.810   1.124  1.00  0.00           S  
HETATM   42  H   UNL     1       1.120  -0.553  -0.625  1.00  0.00           H  
HETATM   43  H   UNL     1       1.338  -3.119   1.012  1.00  0.00           H  
HETATM   44  H   UNL     1       0.415  -2.967  -0.503  1.00  0.00           H  
HETATM   45  H   UNL     1       3.721  -3.229   0.996  1.00  0.00           H  
HETATM   46  H   UNL     1       5.785  -3.591  -0.298  1.00  0.00           H  
HETATM   47  H   UNL     1       5.754  -3.377  -2.751  1.00  0.00           H  
HETATM   48  H   UNL     1       3.658  -2.806  -3.910  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.634   3.085  -1.556  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.588   3.859  -2.772  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.383   2.132  -2.392  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.173   4.256  -2.271  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.497   3.765  -0.699  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.968   2.529  -1.891  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.973   4.819   0.116  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.252   5.102   0.473  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.928   5.593  -1.099  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.203  -1.793   1.260  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.509  -2.237  -0.542  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.603  -0.521  -1.005  1.00  0.00           H  
HETATM   61  H   UNL     1       1.594  -2.446  -2.617  1.00  0.00           H  
HETATM   62  H   UNL     1       4.713  -0.536   2.279  1.00  0.00           H  
HETATM   63  H   UNL     1       4.115   1.131   2.101  1.00  0.00           H  
HETATM   64  H   UNL     1       6.013  -0.294   0.182  1.00  0.00           H  
HETATM   65  H   UNL     1       5.416   1.373   0.004  1.00  0.00           H  
HETATM   66  H   UNL     1       6.464   1.980   2.168  1.00  0.00           H  
HETATM   67  H   UNL     1       7.062   0.312   2.346  1.00  0.00           H  
HETATM   68  H   UNL     1       8.868  -0.531   0.904  1.00  0.00           H  
HETATM   69  H   UNL     1      10.832   0.113  -0.477  1.00  0.00           H  
HETATM   70  H   UNL     1      11.009   2.423  -1.313  1.00  0.00           H  
HETATM   71  H   UNL     1       7.423   3.466   0.497  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.107  -0.932  -1.524  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.840  -2.620  -1.025  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.673  -3.723   0.526  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.511   1.196  -0.830  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.431   2.647  -0.401  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.451   1.754   0.678  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.572  -0.606   1.341  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.657   0.445   1.675  1.00  0.00           H  
HETATM   80  H   UNL     1       3.517  -0.286  -0.267  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.989  -3.005   1.307  1.00  0.00           H  
CONECT    1    2   41   16   42                                       
CONECT    2    3    1   43   44                                       
CONECT    3   15    2    4    4                                       
CONECT    4    3    3    5   45                                       
CONECT    5    6    6    4   46                                       
CONECT    6    7    5    5   47                                       
CONECT    7   15   15    6   48                                       
CONECT    8    9   49   50   51                                       
CONECT    9   10    8   11   38                                       
CONECT   10    9   52   53   54                                       
CONECT   11    9   55   56   57                                       
CONECT   12   38   39   39   34                                       
CONECT   13   34   25   14   58                                       
CONECT   14   13   41   59   60                                       
CONECT   15    7    7    3   61                                       
CONECT   16    1   35   40   40                                       
CONECT   17   35   18   62   63                                       
CONECT   18   19   17   64   65                                       
CONECT   19   18   20   66   67                                       
CONECT   20   21   19   24   24                                       
CONECT   21   22   22   20   68                                       
CONECT   22   21   21   23   69                                       
CONECT   23   22   36   36   70                                       
CONECT   24   20   20   36   71                                       
CONECT   25   26   13   72   73                                       
CONECT   26   27   27   25   29                                       
CONECT   27   37   26   26   74                                       
CONECT   28   37   33   33   29                                       
CONECT   29   26   28   30   30                                       
CONECT   30   29   29   31   75                                       
CONECT   31   32   32   30   76                                       
CONECT   32   33   31   31   77                                       
CONECT   33   28   28   32   78                                       
CONECT   34   12   13   79                                            
CONECT   35   16   17   80                                            
CONECT   36   23   23   24                                            
CONECT   37   27   28   81                                            
CONECT   38    9   12                                                 
CONECT   39   12   12                                                 
CONECT   40   16   16                                                 
CONECT   41    1   14                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
