COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.589   0.941  -0.349  1.00  0.00           C  
HETATM    2  C   UNL     1       3.280   0.917  -1.535  1.00  0.00           C  
HETATM    3  C   UNL     1       4.360   0.354  -0.627  1.00  0.00           C  
HETATM    4  C   UNL     1       4.177  -0.849   0.016  1.00  0.00           C  
HETATM    5  C   UNL     1       6.360   0.236   0.496  1.00  0.00           C  
HETATM    6  C   UNL     1       7.677   0.961   0.745  1.00  0.00           C  
HETATM    7  C   UNL     1       2.949  -1.639  -0.163  1.00  0.00           C  
HETATM    8  C   UNL     1       2.495  -0.246  -2.139  1.00  0.00           C  
HETATM    9  C   UNL     1       6.313   2.223  -0.761  1.00  0.00           C  
HETATM   10  C   UNL     1       8.678   3.018  -0.338  1.00  0.00           C  
HETATM   11  C   UNL     1       7.422   2.412   0.292  1.00  0.00           C  
HETATM   12  S   UNL     1       5.581  -1.212   0.987  1.00  0.00           S  
HETATM   13  O   UNL     1       2.702  -2.604   0.536  1.00  0.00           O  
HETATM   14  N   UNL     1       2.109  -1.238  -1.144  1.00  0.00           N  
HETATM   15  C   UNL     1       0.827  -1.794  -1.205  1.00  0.00           C  
HETATM   16  C   UNL     1       0.603  -2.947  -1.948  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.662  -3.499  -2.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.711  -2.909  -1.335  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.497  -1.752  -0.586  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.221  -1.198  -0.519  1.00  0.00           C  
HETATM   21  C   UNL     1       0.018   0.052   0.288  1.00  0.00           C  
HETATM   22  O   UNL     1       0.362  -0.305   1.629  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.623  -1.116   0.140  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.210   0.067  -0.359  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.246   0.636   0.326  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.706   0.027   1.516  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.631   0.526   2.136  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.126  -1.101   1.967  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.099  -1.676   1.289  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.613  -1.720   3.202  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.846   1.810  -0.145  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.195   1.820  -0.462  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.938   0.637  -0.438  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.280   0.699  -0.762  1.00  0.00           C  
HETATM   35  N   UNL     1      -8.814   1.869  -1.081  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.086   2.968  -1.095  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.805   2.956  -0.789  1.00  0.00           N  
HETATM   38  C   UNL     1       6.929   3.271   1.459  1.00  0.00           C  
HETATM   39  H   UNL     1       2.607   1.549  -0.955  1.00  0.00           H  
HETATM   40  H   UNL     1       3.739   1.504  -2.330  1.00  0.00           H  
HETATM   41  H   UNL     1       7.931   0.933   1.804  1.00  0.00           H  
HETATM   42  H   UNL     1       8.474   0.513   0.152  1.00  0.00           H  
HETATM   43  H   UNL     1       1.596   0.145  -2.615  1.00  0.00           H  
HETATM   44  H   UNL     1       3.111  -0.731  -2.897  1.00  0.00           H  
HETATM   45  H   UNL     1       6.749   2.110  -1.753  1.00  0.00           H  
HETATM   46  H   UNL     1       5.626   3.069  -0.743  1.00  0.00           H  
HETATM   47  H   UNL     1       8.985   2.412  -1.191  1.00  0.00           H  
HETATM   48  H   UNL     1       8.464   4.033  -0.672  1.00  0.00           H  
HETATM   49  H   UNL     1       9.480   3.040   0.399  1.00  0.00           H  
HETATM   50  H   UNL     1       1.421  -3.412  -2.479  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.831  -4.394  -2.590  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.699  -3.343  -1.386  1.00  0.00           H  
HETATM   53  H   UNL     1       0.834   0.621  -0.157  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.887   0.659   0.295  1.00  0.00           H  
HETATM   55  H   UNL     1       0.530   0.452   2.206  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.844   0.517  -1.270  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.652  -2.584   1.666  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.437  -1.129   3.604  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.961  -2.731   2.989  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.805  -1.760   3.931  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.318   2.617  -0.250  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.475  -0.302  -0.174  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.885  -0.195  -0.754  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.554   3.904  -1.360  1.00  0.00           H  
HETATM   65  H   UNL     1       7.692   3.299   2.237  1.00  0.00           H  
HETATM   66  H   UNL     1       6.732   4.284   1.106  1.00  0.00           H  
HETATM   67  H   UNL     1       6.012   2.842   1.863  1.00  0.00           H  
CONECT    1    3    5    5    9                                       
CONECT    2    8    3   39   40                                       
CONECT    3    2    4    4    1                                       
CONECT    4    7    3    3   12                                       
CONECT    5   12    1    1    6                                       
CONECT    6    5   11   41   42                                       
CONECT    7   14   13   13    4                                       
CONECT    8   14    2   43   44                                       
CONECT    9    1   11   45   46                                       
CONECT   10   11   47   48   49                                       
CONECT   11    9    6   10   38                                       
CONECT   12    4    5                                                 
CONECT   13    7    7                                                 
CONECT   14   15    8    7                                            
CONECT   15   16   16   20   14                                       
CONECT   16   17   15   15   50                                       
CONECT   17   18   18   16   51                                       
CONECT   18   17   17   19   52                                       
CONECT   19   18   23   20   20                                       
CONECT   20   19   19   15   21                                       
CONECT   21   20   22   53   54                                       
CONECT   22   21   55                                                 
CONECT   23   24   19   29   29                                       
CONECT   24   25   25   23   56                                       
CONECT   25   31   24   24   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   30                                            
CONECT   29   23   23   28   57                                       
CONECT   30   28   58   59   60                                       
CONECT   31   32   25   61                                            
CONECT   32   33   33   37   31                                       
CONECT   33   34   32   32   62                                       
CONECT   34   35   35   33   63                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   37   64                                       
CONECT   37   36   36   32                                            
CONECT   38   11   65   66   67                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
