COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.639  -2.914  -0.601  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.595  -1.340  -1.501  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.782  -0.184  -0.516  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.801   1.141  -1.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.052   2.291  -0.306  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.057   3.615  -1.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.881   3.674   0.400  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.471   2.187   0.300  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.403  -0.097   0.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.262  -0.204   0.984  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.368   0.920   2.016  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.283   0.739   3.080  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.309   1.929   4.042  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.543  -0.552   3.859  1.00  0.00           C  
HETATM   15  C   UNL     1       1.128  -0.633   0.782  1.00  0.00           C  
HETATM   16  C   UNL     1       3.461  -1.137   0.737  1.00  0.00           C  
HETATM   17  C   UNL     1       4.685  -0.915  -0.153  1.00  0.00           C  
HETATM   18  C   UNL     1       6.040  -1.385   0.379  1.00  0.00           C  
HETATM   19  C   UNL     1       5.355  -2.151  -0.755  1.00  0.00           C  
HETATM   20  C   UNL     1       7.251  -0.559   0.029  1.00  0.00           C  
HETATM   21  C   UNL     1       8.013   0.008   1.033  1.00  0.00           C  
HETATM   22  C   UNL     1       9.123   0.766   0.714  1.00  0.00           C  
HETATM   23  C   UNL     1       9.472   0.958  -0.615  1.00  0.00           C  
HETATM   24  C   UNL     1      10.863   1.859  -2.319  1.00  0.00           C  
HETATM   25  C   UNL     1       8.706   0.388  -1.620  1.00  0.00           C  
HETATM   26  C   UNL     1       7.600  -0.374  -1.296  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.094   4.366  -0.627  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.675  -0.176   0.444  1.00  0.00           N  
HETATM   29  N   UNL     1       0.009  -0.088   0.264  1.00  0.00           N  
HETATM   30  O   UNL     1      -5.646  -1.315  -2.469  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.244   3.951  -1.873  1.00  0.00           O  
HETATM   32  O   UNL     1       2.297  -0.526   0.121  1.00  0.00           O  
HETATM   33  O   UNL     1      10.564   1.704  -0.931  1.00  0.00           O  
HETATM   34  O   UNL     1       1.083  -1.220   1.844  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.178   0.061  -1.175  1.00  0.00           O  
HETATM   36  H   UNL     1      -3.634  -1.236  -2.005  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.725  -0.309   0.016  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.841   1.288  -1.778  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.595   1.117  -2.029  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.300   2.292   0.483  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.946   3.786   0.198  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.641   4.065   1.388  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.140   1.642  -0.366  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.441   1.724   1.286  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.306  -1.168   1.490  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.234   1.882   1.521  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.349   0.888   2.489  1.00  0.00           H  
HETATM   48  H   UNL     1       0.693   0.683   2.598  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.285   1.985   4.524  1.00  0.00           H  
HETATM   50  H   UNL     1       0.464   1.800   4.800  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.124   2.849   3.487  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.525  -1.400   3.174  1.00  0.00           H  
HETATM   53  H   UNL     1       0.230  -0.681   4.617  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.519  -0.496   4.341  1.00  0.00           H  
HETATM   55  H   UNL     1       3.289  -2.207   0.858  1.00  0.00           H  
HETATM   56  H   UNL     1       3.634  -0.685   1.714  1.00  0.00           H  
HETATM   57  H   UNL     1       4.669  -0.007  -0.756  1.00  0.00           H  
HETATM   58  H   UNL     1       6.059  -1.854   1.363  1.00  0.00           H  
HETATM   59  H   UNL     1       4.923  -3.124  -0.518  1.00  0.00           H  
HETATM   60  H   UNL     1       5.780  -2.057  -1.755  1.00  0.00           H  
HETATM   61  H   UNL     1       7.741  -0.141   2.067  1.00  0.00           H  
HETATM   62  H   UNL     1       9.719   1.209   1.499  1.00  0.00           H  
HETATM   63  H   UNL     1      11.039   0.880  -2.765  1.00  0.00           H  
HETATM   64  H   UNL     1      10.024   2.342  -2.820  1.00  0.00           H  
HETATM   65  H   UNL     1      11.756   2.475  -2.432  1.00  0.00           H  
HETATM   66  H   UNL     1       8.975   0.536  -2.656  1.00  0.00           H  
HETATM   67  H   UNL     1       7.005  -0.822  -2.079  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.296   5.253  -0.966  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.859  -0.228   1.395  1.00  0.00           H  
HETATM   70  H   UNL     1       0.046   0.381  -0.584  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.682  -0.501  -2.989  1.00  0.00           H  
HETATM   72  O   UNL     1      -3.485  -2.819   0.387  1.00  0.00           O  
HETATM   73  O   UNL     1      -5.797  -2.987   0.220  1.00  0.00           O  
HETATM   74  O   UNL     1      -4.280  -3.989  -1.458  1.00  0.00           O  
HETATM   75  H   UNL     1      -3.382  -3.600   0.947  1.00  0.00           H  
CONECT    1    2   72   73   73                                       
CONECT    1   74   74                                                 
CONECT    2    1    3   30   36                                       
CONECT    3    4   28    2   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    6    4    8   40                                       
CONECT    6   31   31   27    5                                       
CONECT    7   27    8   41   42                                       
CONECT    8    5    7   43   44                                       
CONECT    9   10   28   35   35                                       
CONECT   10   29    9   11   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   14   11   13   48                                       
CONECT   13   12   49   50   51                                       
CONECT   14   12   52   53   54                                       
CONECT   15   34   34   32   29                                       
CONECT   16   17   32   55   56                                       
CONECT   17   19   18   16   57                                       
CONECT   18   19   17   20   58                                       
CONECT   19   18   17   59   60                                       
CONECT   20   18   26   26   21                                       
CONECT   21   20   22   22   61                                       
CONECT   22   21   21   23   62                                       
CONECT   23   25   25   22   33                                       
CONECT   24   33   63   64   65                                       
CONECT   25   26   23   23   66                                       
CONECT   26   20   20   25   67                                       
CONECT   27    6    7   68                                            
CONECT   28    3    9   69                                            
CONECT   29   15   10   70                                            
CONECT   30    2   71                                                 
CONECT   31    6    6                                                 
CONECT   32   16   15                                                 
CONECT   33   23   24                                                 
CONECT   34   15   15                                                 
CONECT   35    9    9                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72    1   75                                                 
CONECT   73    1    1                                                 
CONECT   74    1    1                                                 
CONECT   75   72                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
