COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.666  -1.047   0.097  1.00  0.00           C  
HETATM    2  S   UNL     1       7.989   0.172  -1.063  1.00  0.00           S  
HETATM    3  O   UNL     1       8.969   1.147  -1.390  1.00  0.00           O  
HETATM    4  O   UNL     1       7.230  -0.472  -2.077  1.00  0.00           O  
HETATM    5  C   UNL     1       6.792   1.059  -0.121  1.00  0.00           C  
HETATM    6  C   UNL     1       7.166   2.190   0.581  1.00  0.00           C  
HETATM    7  C   UNL     1       6.230   2.889   1.321  1.00  0.00           C  
HETATM    8  C   UNL     1       4.918   2.458   1.362  1.00  0.00           C  
HETATM    9  C   UNL     1       4.540   1.322   0.658  1.00  0.00           C  
HETATM   10  N   UNL     1       3.213   0.883   0.697  1.00  0.00           N  
HETATM   11  C   UNL     1       2.929  -0.472   0.640  1.00  0.00           C  
HETATM   12  N   UNL     1       3.929  -1.342   0.662  1.00  0.00           N  
HETATM   13  C   UNL     1       3.702  -2.646   0.610  1.00  0.00           C  
HETATM   14  C   UNL     1       2.401  -3.104   0.532  1.00  0.00           C  
HETATM   15  C   UNL     1       1.362  -2.162   0.510  1.00  0.00           C  
HETATM   16  N   UNL     1       1.667  -0.863   0.572  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.041  -2.597   0.428  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.619  -4.259   0.516  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.232  -3.727   0.337  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.282  -2.435   0.227  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.134  -1.781   0.274  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.036  -0.307   0.168  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.094   0.273  -0.681  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.004   1.647  -0.778  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.846   2.453  -0.036  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.789   1.885   0.813  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.638   2.704   1.562  1.00  0.00           N  
HETATM   28  S   UNL     1      -3.378   4.002   0.848  1.00  0.00           S  
HETATM   29  O   UNL     1      -4.189   4.602   1.849  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.363   4.706   0.145  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.480   3.368  -0.371  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.789   3.069  -0.034  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.222   3.263   1.231  1.00  0.00           F  
HETATM   34  C   UNL     1      -6.655   2.571  -0.993  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.212   2.372  -2.287  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.906   2.670  -2.626  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.040   3.174  -1.669  1.00  0.00           C  
HETATM   38  F   UNL     1      -2.765   3.470  -2.002  1.00  0.00           F  
HETATM   39  C   UNL     1      -1.890   0.506   0.913  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.335  -4.559   0.313  1.00  0.00           N  
HETATM   41  C   UNL     1      -2.936  -5.966   0.463  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.189  -6.846   0.491  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.949  -6.622  -0.700  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.355  -5.262  -0.877  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.114  -4.366  -0.919  1.00  0.00           C  
HETATM   46  C   UNL     1       5.481   0.626  -0.089  1.00  0.00           C  
HETATM   47  H   UNL     1       9.116  -0.530   0.945  1.00  0.00           H  
HETATM   48  H   UNL     1       7.865  -1.696   0.451  1.00  0.00           H  
HETATM   49  H   UNL     1       9.423  -1.647  -0.407  1.00  0.00           H  
HETATM   50  H   UNL     1       8.191   2.529   0.551  1.00  0.00           H  
HETATM   51  H   UNL     1       5.189  -0.256  -0.641  1.00  0.00           H  
HETATM   52  H   UNL     1       6.525   3.772   1.868  1.00  0.00           H  
HETATM   53  H   UNL     1       4.188   3.003   1.941  1.00  0.00           H  
HETATM   54  H   UNL     1       2.491   1.528   0.764  1.00  0.00           H  
HETATM   55  H   UNL     1       4.525  -3.344   0.628  1.00  0.00           H  
HETATM   56  H   UNL     1       2.189  -4.162   0.488  1.00  0.00           H  
HETATM   57  H   UNL     1       0.566  -0.354  -1.263  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.625   0.062   1.568  1.00  0.00           H  
HETATM   59  H   UNL     1       0.727   2.093  -1.436  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.771   3.527  -0.115  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.793   2.512   2.500  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.676   2.337  -0.730  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.888   1.984  -3.035  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.561   2.514  -3.637  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.306  -6.257  -0.378  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.383  -6.091   1.393  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.420  -3.323  -0.997  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.502  -4.632  -1.781  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.896  -7.894   0.544  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.793  -6.591   1.361  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.905  -5.165  -1.813  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.993  -4.961  -0.046  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   46   46                                       
CONECT    6    5    7    7   50                                       
CONECT    7    6    6    8   52                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   10   46                                       
CONECT   10    9   11   54                                            
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   55                                       
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   16   17                                       
CONECT   16   11   11   15                                            
CONECT   17   15   18   21   21                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   40                                       
CONECT   20   19   19   21                                            
CONECT   21   17   17   20   22                                       
CONECT   22   21   23   39   39                                       
CONECT   23   22   24   24   57                                       
CONECT   24   23   23   25   59                                       
CONECT   25   24   26   26   60                                       
CONECT   26   25   25   27   39                                       
CONECT   27   26   28   61                                            
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   37   37                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32                                                      
CONECT   34   32   32   35   62                                       
CONECT   35   34   36   36   63                                       
CONECT   36   35   35   37   64                                       
CONECT   37   31   31   36   38                                       
CONECT   38   37                                                      
CONECT   39   22   22   26   58                                       
CONECT   40   19   41   45                                            
CONECT   41   40   42   65   66                                       
CONECT   42   41   43   69   70                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   71   72                                       
CONECT   45   40   44   67   68                                       
CONECT   46    5    5    9   51                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    6                                                      
CONECT   51   46                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   23                                                      
CONECT   58   39                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   41                                                      
CONECT   66   41                                                      
CONECT   67   45                                                      
CONECT   68   45                                                      
CONECT   69   42                                                      
CONECT   70   42                                                      
CONECT   71   44                                                      
CONECT   72   44                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
