COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.406  -1.452   0.118  1.00  0.00           C  
HETATM    2  C   UNL     1       2.590  -0.428   0.839  1.00  0.00           C  
HETATM    3  C   UNL     1       8.104   0.768   0.849  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.208   0.258   1.377  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.830   2.775  -2.395  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.179   2.995  -1.707  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.411   4.494  -1.507  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.296   2.418  -2.580  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.987   0.996  -0.418  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.765  -1.134   0.745  1.00  0.00           C  
HETATM   11  C   UNL     1       1.411  -1.110   0.193  1.00  0.00           C  
HETATM   12  C   UNL     1       1.660  -2.618   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       2.819  -2.905  -0.777  1.00  0.00           C  
HETATM   14  C   UNL     1       2.613  -2.993  -2.142  1.00  0.00           C  
HETATM   15  C   UNL     1       3.676  -3.256  -2.986  1.00  0.00           C  
HETATM   16  C   UNL     1       4.944  -3.432  -2.465  1.00  0.00           C  
HETATM   17  C   UNL     1       5.150  -3.344  -1.101  1.00  0.00           C  
HETATM   18  C   UNL     1       4.088  -3.076  -0.258  1.00  0.00           C  
HETATM   19  C   UNL     1       4.810   0.569   0.726  1.00  0.00           C  
HETATM   20  C   UNL     1       5.887   0.834  -0.329  1.00  0.00           C  
HETATM   21  C   UNL     1       7.065   1.516   0.317  1.00  0.00           C  
HETATM   22  C   UNL     1       7.124   2.895   0.386  1.00  0.00           C  
HETATM   23  C   UNL     1       9.152   2.820   1.476  1.00  0.00           C  
HETATM   24  C   UNL     1       9.165   1.439   1.439  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.872  -1.809  -0.067  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.198  -1.599   0.618  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.799  -2.443   1.472  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.189  -0.686   1.302  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.076  -0.434   0.479  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.003   0.754  -0.250  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.016   1.667  -0.161  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.119   1.421   0.644  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.976   0.316   0.746  1.00  0.00           N  
HETATM   34  N   UNL     1       3.665  -0.094   0.098  1.00  0.00           N  
HETATM   35  N   UNL     1       8.151   3.499   0.950  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.989  -1.915   1.890  1.00  0.00           N  
HETATM   37  O   UNL     1      -3.180   2.328  -0.417  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.822   0.406  -1.468  1.00  0.00           O  
HETATM   39  O   UNL     1       2.570  -0.178   2.026  1.00  0.00           O  
HETATM   40  S   UNL     1      -0.086  -0.776   1.162  1.00  0.00           S  
HETATM   41  H   UNL     1      -1.288  -2.533   0.037  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.350  -1.004  -0.874  1.00  0.00           H  
HETATM   43  H   UNL     1       8.085  -0.311   0.810  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.068   0.077   2.005  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.830   3.276  -3.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.035   3.186  -1.773  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.665   1.707  -2.537  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.373   4.650  -1.017  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.616   4.905  -0.885  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.411   4.994  -2.475  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.130   1.350  -2.723  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.257   2.575  -2.090  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.296   2.918  -3.548  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.789  -1.505   1.770  1.00  0.00           H  
HETATM   55  H   UNL     1       1.281  -0.728  -0.819  1.00  0.00           H  
HETATM   56  H   UNL     1       1.892  -2.982   1.143  1.00  0.00           H  
HETATM   57  H   UNL     1       0.767  -3.122  -0.229  1.00  0.00           H  
HETATM   58  H   UNL     1       1.622  -2.855  -2.548  1.00  0.00           H  
HETATM   59  H   UNL     1       3.515  -3.325  -4.051  1.00  0.00           H  
HETATM   60  H   UNL     1       5.774  -3.638  -3.124  1.00  0.00           H  
HETATM   61  H   UNL     1       6.141  -3.481  -0.695  1.00  0.00           H  
HETATM   62  H   UNL     1       4.250  -3.003   0.808  1.00  0.00           H  
HETATM   63  H   UNL     1       5.218  -0.073   1.507  1.00  0.00           H  
HETATM   64  H   UNL     1       4.489   1.514   1.162  1.00  0.00           H  
HETATM   65  H   UNL     1       6.209  -0.111  -0.766  1.00  0.00           H  
HETATM   66  H   UNL     1       5.479   1.475  -1.110  1.00  0.00           H  
HETATM   67  H   UNL     1       6.319   3.485  -0.026  1.00  0.00           H  
HETATM   68  H   UNL     1       9.975   3.349   1.934  1.00  0.00           H  
HETATM   69  H   UNL     1       9.987   0.888   1.872  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.907  -1.375  -1.066  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.668  -2.877  -0.142  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.401  -3.398   1.782  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.150   0.950  -0.882  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.959   2.586  -0.726  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.911   2.152   0.704  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.107   0.787   1.584  1.00  0.00           H  
HETATM   77  H   UNL     1       3.680  -0.294  -0.851  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.602  -2.342   2.510  1.00  0.00           H  
CONECT    1   10   40   41   42                                       
CONECT    2   34   11   39   39                                       
CONECT    3   24   21   21   43                                       
CONECT    4   32   28   28   44                                       
CONECT    5    6   45   46   47                                       
CONECT    6    7   37    8    5                                       
CONECT    7    6   48   49   50                                       
CONECT    8    6   51   52   53                                       
CONECT    9   33   38   38   37                                       
CONECT   10   25   33    1   54                                       
CONECT   11   40    2   12   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   58                                       
CONECT   15   14   16   16   59                                       
CONECT   16   15   15   17   60                                       
CONECT   17   18   18   16   61                                       
CONECT   18   13   17   17   62                                       
CONECT   19   34   20   63   64                                       
CONECT   20   21   19   65   66                                       
CONECT   21    3    3   22   20                                       
CONECT   22   35   35   21   67                                       
CONECT   23   24   24   35   68                                       
CONECT   24   23   23    3   69                                       
CONECT   25   26   10   70   71                                       
CONECT   26   29   25   27   27                                       
CONECT   27   36   26   26   72                                       
CONECT   28    4    4   29   36                                       
CONECT   29   30   30   28   26                                       
CONECT   30   31   29   29   73                                       
CONECT   31   32   32   30   74                                       
CONECT   32   31   31    4   75                                       
CONECT   33   10    9   76                                            
CONECT   34   19    2   77                                            
CONECT   35   23   22   22                                            
CONECT   36   28   27   78                                            
CONECT   37    9    6                                                 
CONECT   38    9    9                                                 
CONECT   39    2    2                                                 
CONECT   40    1   11                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
