COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.431   0.619  -1.906  1.00  0.00           C  
HETATM    2  CA  UNL     1      -2.449  -0.393  -1.377  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.729  -1.488  -0.633  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.857  -3.546  -0.758  1.00  0.00           O  
HETATM    5  O   UNL     1       1.076   1.464  -2.428  1.00  0.00           O  
HETATM    6  N   UNL     1       3.915   0.345  -2.633  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.468  -0.713   0.210  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.450  -1.902   2.158  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.683  -3.053  -0.026  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.272   1.869   1.051  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.165   2.630   1.714  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.901   3.614   1.363  1.00  0.00           C  
HETATM   13  C   UNL     1       0.736   0.450  -3.006  1.00  0.00           C  
HETATM   14  C   UNL     1       4.663  -0.695  -2.211  1.00  0.00           C  
HETATM   15  C   UNL     1       4.681   0.871  -0.645  1.00  0.00           C  
HETATM   16  C   UNL     1       4.966   1.575   0.604  1.00  0.00           C  
HETATM   17  C   UNL     1       5.592   2.844   3.047  1.00  0.00           C  
HETATM   18  C   UNL     1       6.024   1.611   2.675  1.00  0.00           C  
HETATM   19  C   UNL     1       6.000  -1.245  -0.165  1.00  0.00           C  
HETATM   20  C   UNL     1       5.128  -2.136   0.723  1.00  0.00           C  
HETATM   21  C   UNL     1       6.234  -5.038   3.549  1.00  0.00           C  
HETATM   22  O   UNL     1       4.258  -4.976   1.805  1.00  0.00           O  
HETATM   23  S   UNL     1       4.989  -4.085   2.636  1.00  0.00           S  
HETATM   24  O   UNL     1       4.287  -3.260   3.555  1.00  0.00           O  
HETATM   25  C   UNL     1       6.023  -3.030   1.584  1.00  0.00           C  
HETATM   26  N   UNL     1       5.143  -0.390  -0.989  1.00  0.00           N  
HETATM   27  O   UNL     1       4.868  -1.727  -2.825  1.00  0.00           O  
HETATM   28  N   UNL     1       5.723   1.025   1.523  1.00  0.00           N  
HETATM   29  O   UNL     1       5.964   3.358   4.251  1.00  0.00           O  
HETATM   30  C   UNL     1       4.756   3.596   2.188  1.00  0.00           C  
HETATM   31  O   UNL     1       4.354   4.701   2.494  1.00  0.00           O  
HETATM   32  C   UNL     1       4.397   2.956   0.859  1.00  0.00           C  
HETATM   33  N   UNL     1       3.946   1.324  -1.630  1.00  0.00           N  
HETATM   34  S   UNL     1       3.112   0.449  -4.077  1.00  0.00           S  
HETATM   35  O   UNL     1       2.943   1.835  -4.342  1.00  0.00           O  
HETATM   36  O   UNL     1       3.773  -0.438  -4.969  1.00  0.00           O  
HETATM   37  N   UNL     1       1.595  -0.170  -3.840  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.498  -0.055  -2.813  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.163   1.731  -2.661  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.970  -1.685   0.533  1.00  0.00           O  
HETATM   41  N   UNL     1      -3.382   0.281  -0.471  1.00  0.00           N  
HETATM   42  C   UNL     1      -4.617  -0.223  -0.278  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.924  -1.288  -0.778  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.601   0.520   0.544  1.00  0.00           C  
HETATM   45  N   UNL     1      -6.756  -0.016   0.821  1.00  0.00           N  
HETATM   46  O   UNL     1      -7.114  -1.261   0.249  1.00  0.00           O  
HETATM   47  C   UNL     1      -8.407  -1.729   0.638  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.846  -3.686   0.196  1.00  0.00           O  
HETATM   49  N   UNL     1      -4.071   2.424   0.880  1.00  0.00           N  
HETATM   50  N   UNL     1      -2.730   4.349   1.284  1.00  0.00           N  
HETATM   51  S   UNL     1      -5.388   4.154   2.136  1.00  0.00           S  
HETATM   52  H   UNL     1      -0.879   1.050  -1.071  1.00  0.00           H  
HETATM   53  HA  UNL     1      -3.001  -0.824  -2.213  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.997  -2.096  -1.144  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.437  -0.590  -0.872  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.454  -1.070   0.507  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.268   0.245   0.691  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.436  -2.259   2.455  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.694  -2.626   2.463  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.250  -0.944   2.638  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.182   2.352   1.947  1.00  0.00           H  
HETATM   62  H   UNL     1       6.661   1.073   3.362  1.00  0.00           H  
HETATM   63  H   UNL     1       6.640  -0.623   0.461  1.00  0.00           H  
HETATM   64  H   UNL     1       6.618  -1.870  -0.810  1.00  0.00           H  
HETATM   65  H   UNL     1       4.509  -1.512   1.368  1.00  0.00           H  
HETATM   66  H   UNL     1       4.488  -2.758   0.097  1.00  0.00           H  
HETATM   67  H   UNL     1       6.846  -5.603   2.847  1.00  0.00           H  
HETATM   68  H   UNL     1       6.867  -4.357   4.118  1.00  0.00           H  
HETATM   69  H   UNL     1       5.736  -5.726   4.232  1.00  0.00           H  
HETATM   70  H   UNL     1       6.641  -3.654   0.939  1.00  0.00           H  
HETATM   71  H   UNL     1       6.662  -2.408   2.210  1.00  0.00           H  
HETATM   72  H   UNL     1       6.534   2.774   4.768  1.00  0.00           H  
HETATM   73  H   UNL     1       4.739   3.616   0.061  1.00  0.00           H  
HETATM   74  H   UNL     1       3.311   2.892   0.795  1.00  0.00           H  
HETATM   75  H   UNL     1       1.324  -0.979  -4.301  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.769  -0.864  -3.274  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.857   2.232  -1.987  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.438   2.452  -3.039  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.715   1.300  -3.497  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.111   1.090  -0.010  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.977  -4.533  -0.253  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.953   3.977   0.839  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.686   5.236   1.674  1.00  0.00           H  
CONECT    1   39   38    2   52                                       
CONECT    2    1    3   41   53                                       
CONECT    3    2   40   40   54                                       
CONECT    4    9    9                                                 
CONECT    5   13   13                                                 
CONECT    6   33   34   14                                            
CONECT    7   47   55   56   57                                       
CONECT    8   47   58   59   60                                       
CONECT    9    4    4   47   48                                       
CONECT   10   44   11   11   49                                       
CONECT   11   10   10   51   61                                       
CONECT   12   51   49   49   50                                       
CONECT   13   38   37    5    5                                       
CONECT   14    6   26   27   27                                       
CONECT   15   16   33   33   26                                       
CONECT   16   28   28   32   15                                       
CONECT   17   29   18   18   30                                       
CONECT   18   17   17   28   62                                       
CONECT   19   20   26   63   64                                       
CONECT   20   25   19   65   66                                       
CONECT   21   23   67   68   69                                       
CONECT   22   23   23                                                 
CONECT   23   24   24   22   22                                       
CONECT   23   21   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   20   70   71                                       
CONECT   26   15   19   14                                            
CONECT   27   14   14                                                 
CONECT   28   18   16   16                                            
CONECT   29   17   72                                                 
CONECT   30   17   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   16   73   74                                       
CONECT   33   15   15    6                                            
CONECT   34   35   35   37    6                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   13   34   75                                            
CONECT   38    1   13   76                                            
CONECT   39    1   77   78   79                                       
CONECT   40    3    3                                                 
CONECT   41    2   42   80                                            
CONECT   42   43   43   41   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   45   10                                       
CONECT   45   46   44   44                                            
CONECT   46   47   45                                                 
CONECT   47    7   46    9    8                                       
CONECT   48    9   81                                                 
CONECT   49   10   12   12                                            
CONECT   50   12   82   83                                            
CONECT   51   11   12                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   48                                                      
CONECT   82   50                                                      
CONECT   83   50                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
