COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.391  -0.696  -1.157  1.00  0.00           C  
HETATM    2  C   UNL     1       9.594  -0.370  -1.754  1.00  0.00           C  
HETATM    3  C   UNL     1       9.650   0.654  -2.681  1.00  0.00           C  
HETATM    4  C   UNL     1       5.930  -0.362  -0.845  1.00  0.00           C  
HETATM    5  C   UNL     1       5.748   0.461   0.433  1.00  0.00           C  
HETATM    6  C   UNL     1       1.990   0.635   1.134  1.00  0.00           C  
HETATM    7  C   UNL     1       0.510   1.414   2.990  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.341   0.327  -0.725  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.608   1.989  -1.774  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.737   3.337  -1.498  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.522   3.753  -0.438  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.664   5.223  -0.138  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.809   5.767  -0.880  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.177   2.821   0.345  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.047   1.473   0.069  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.262   1.057  -0.990  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.126  -0.413  -1.295  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.932  -0.984  -0.527  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.868  -2.498  -0.737  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.752  -3.086   0.129  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.676  -4.882  -0.120  1.00  0.00           S  
HETATM   22  O   UNL     1      -4.877  -5.459   0.373  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.283  -5.136  -1.462  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.313  -5.355   0.979  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.696  -0.370  -1.018  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.612  -0.305  -0.219  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.661  -0.754   0.906  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.319   0.275   0.324  1.00  0.00           N  
HETATM   29  C   UNL     1       0.907   0.784   0.096  1.00  0.00           C  
HETATM   30  O   UNL     1       1.140   1.363  -0.944  1.00  0.00           O  
HETATM   31  C   UNL     1       1.804   1.694   2.221  1.00  0.00           C  
HETATM   32  C   UNL     1       0.646   0.097   3.755  1.00  0.00           C  
HETATM   33  C   UNL     1       0.247   2.553   3.977  1.00  0.00           C  
HETATM   34  N   UNL     1       3.300   0.810   0.501  1.00  0.00           N  
HETATM   35  C   UNL     1       4.383   0.192   1.013  1.00  0.00           C  
HETATM   36  O   UNL     1       4.260  -0.579   1.941  1.00  0.00           O  
HETATM   37  N   UNL     1       6.775   0.084   1.406  1.00  0.00           N  
HETATM   38  N   UNL     1       7.859   0.290   1.188  1.00  0.00           N1+
HETATM   39  N   UNL     1       8.942   0.495   0.970  1.00  0.00           N1-
HETATM   40  C   UNL     1       7.243  -0.002  -1.491  1.00  0.00           C  
HETATM   41  C   UNL     1       8.503   1.352  -3.011  1.00  0.00           C  
HETATM   42  C   UNL     1       7.299   1.022  -2.418  1.00  0.00           C  
HETATM   43  H   UNL     1       8.347  -1.495  -0.432  1.00  0.00           H  
HETATM   44  H   UNL     1      10.490  -0.914  -1.496  1.00  0.00           H  
HETATM   45  H   UNL     1      10.590   0.909  -3.147  1.00  0.00           H  
HETATM   46  H   UNL     1       5.925  -1.423  -0.597  1.00  0.00           H  
HETATM   47  H   UNL     1       5.114  -0.147  -1.535  1.00  0.00           H  
HETATM   48  H   UNL     1       5.841   1.521   0.198  1.00  0.00           H  
HETATM   49  H   UNL     1       1.931  -0.358   1.579  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.321   1.343   2.288  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.989  -0.216  -1.602  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.533   1.366  -0.993  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.998   1.664  -2.604  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.226   4.065  -2.109  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.825   5.361   0.932  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.755   5.745  -0.438  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.925   6.752  -0.695  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.713   5.594  -1.870  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.790   3.147   1.172  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.559   0.745   0.680  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.035  -0.933  -0.993  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.968  -0.549  -2.365  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.047  -0.769   0.536  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.821  -2.945  -0.454  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.664  -2.711  -1.786  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.799  -2.639  -0.154  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.956  -2.874   1.178  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.559  -5.076   2.004  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.159  -6.433   0.924  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.402  -4.841   0.672  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.658  -0.010  -1.918  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.526  -0.127   1.183  1.00  0.00           H  
HETATM   73  H   UNL     1       2.649   1.662   2.909  1.00  0.00           H  
HETATM   74  H   UNL     1       1.747   2.681   1.762  1.00  0.00           H  
HETATM   75  H   UNL     1       1.435   0.190   4.502  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.297  -0.136   4.249  1.00  0.00           H  
HETATM   77  H   UNL     1       0.899  -0.703   3.059  1.00  0.00           H  
HETATM   78  H   UNL     1       0.150   3.492   3.432  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.674   2.353   4.525  1.00  0.00           H  
HETATM   80  H   UNL     1       1.078   2.625   4.679  1.00  0.00           H  
HETATM   81  H   UNL     1       3.387   1.370  -0.286  1.00  0.00           H  
HETATM   82  H   UNL     1       8.547   2.152  -3.735  1.00  0.00           H  
HETATM   83  H   UNL     1       6.403   1.567  -2.676  1.00  0.00           H  
CONECT    1   40   40    2   43                                       
CONECT    2    3    3    1   44                                       
CONECT    3   41    2    2   45                                       
CONECT    4    5   40   46   47                                       
CONECT    5   37   35    4   48                                       
CONECT    6   34   31   29   49                                       
CONECT    7   33   32   31   50                                       
CONECT    8   28   26   51   52                                       
CONECT    9   10   10   16   53                                       
CONECT   10    9    9   11   54                                       
CONECT   11   10   12   14   14                                       
CONECT   12   13   11   55   56                                       
CONECT   13   12   57   58                                            
CONECT   14   11   11   15   59                                       
CONECT   15   16   16   14   60                                       
CONECT   16    9   17   15   15                                       
CONECT   17   18   16   61   62                                       
CONECT   18   25   19   17   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   24   20   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   68   69   70                                       
CONECT   25   26   18   71                                            
CONECT   26    8   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29    8   72                                            
CONECT   29    6   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31    7    6   73   74                                       
CONECT   32    7   75   76   77                                       
CONECT   33    7   78   79   80                                       
CONECT   34   35    6   81                                            
CONECT   35    5   36   36   34                                       
CONECT   36   35   35                                                 
CONECT   37   38   38    5                                            
CONECT   38   39   39   37   37                                       
CONECT   39   38   38                                                 
CONECT   40   42    4    1    1                                       
CONECT   41   42   42    3   82                                       
CONECT   42   41   41   40   83                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
