COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.343  -1.272  -0.858  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.922  -0.667  -1.916  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.898   0.134  -1.444  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.924   0.021  -0.068  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.996  -0.819   0.296  1.00  0.00           N  
HETATM    6  N   UNL     1       4.393  -2.061   1.161  1.00  0.00           N  
HETATM    7  C   UNL     1       4.357  -3.328   1.433  1.00  0.00           C  
HETATM    8  S   UNL     1       5.802  -4.108   0.798  1.00  0.00           S  
HETATM    9  C   UNL     1       6.371  -2.559   0.180  1.00  0.00           C  
HETATM   10  CA  UNL     1       2.413   1.364   1.423  1.00  0.00           C  
HETATM   11  C   UNL     1       2.797   2.036   2.716  1.00  0.00           C  
HETATM   12  N   UNL     1       0.750  -0.094   0.379  1.00  0.00           N  
HETATM   13  C   UNL     1       1.067   0.658   1.595  1.00  0.00           C  
HETATM   14  O   UNL     1       3.820   1.726   3.277  1.00  0.00           O  
HETATM   15  N   UNL     1       3.437   0.381   1.061  1.00  0.00           N  
HETATM   16  C   UNL     1       4.535   0.771   0.382  1.00  0.00           C  
HETATM   17  O   UNL     1       4.631   1.916  -0.012  1.00  0.00           O  
HETATM   18  C   UNL     1       5.625  -0.198   0.118  1.00  0.00           C  
HETATM   19  N   UNL     1       6.730   0.203  -0.444  1.00  0.00           N  
HETATM   20  O   UNL     1       6.935   1.580  -0.701  1.00  0.00           O  
HETATM   21  C   UNL     1       8.188   1.876  -1.321  1.00  0.00           C  
HETATM   22  C   UNL     1       8.299   3.362  -1.546  1.00  0.00           C  
HETATM   23  C   UNL     1       9.328   1.411  -0.412  1.00  0.00           C  
HETATM   24  C   UNL     1       8.278   1.148  -2.663  1.00  0.00           C  
HETATM   25  O   UNL     1       7.389   4.099  -1.208  1.00  0.00           O  
HETATM   26  O   UNL     1       9.299   3.826  -2.067  1.00  0.00           O1-
HETATM   27  C   UNL     1       5.458  -1.618   0.492  1.00  0.00           C  
HETATM   28  N   UNL     1       3.338  -3.970   2.117  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.395  -0.799   0.301  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.166  -0.812   1.241  1.00  0.00           O  
HETATM   31  N   UNL     1      -0.686  -1.491  -0.819  1.00  0.00           N  
HETATM   32  S   UNL     1      -2.094  -2.358  -0.914  1.00  0.00           S  
HETATM   33  O   UNL     1      -2.175  -3.124   0.280  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.122  -2.936  -2.212  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.617  -0.817  -3.085  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.781   0.978  -2.253  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.031   0.185  -2.640  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.893   1.023  -3.586  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.780  -0.127  -1.464  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.000   0.241  -4.040  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.848   0.734   0.841  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.752   1.567   0.337  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.596   2.224   1.108  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.572   2.068   2.484  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.636   1.201   3.056  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.766   0.521   2.216  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.583   1.025   4.402  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.447   2.751   3.269  1.00  0.00           O  
HETATM   49  H   UNL     1       7.294  -2.392  -0.356  1.00  0.00           H  
HETATM   50  HA  UNL     1       2.332   2.112   0.635  1.00  0.00           H  
HETATM   51  H   UNL     1       2.157   2.795   3.141  1.00  0.00           H  
HETATM   52  H   UNL     1       1.365  -0.084  -0.371  1.00  0.00           H  
HETATM   53  H   UNL     1       1.121  -0.027   2.442  1.00  0.00           H  
HETATM   54  H   UNL     1       0.288   1.399   1.778  1.00  0.00           H  
HETATM   55  H   UNL     1       3.325  -0.550   1.309  1.00  0.00           H  
HETATM   56  H   UNL     1       9.248   0.336  -0.249  1.00  0.00           H  
HETATM   57  H   UNL     1      10.284   1.637  -0.884  1.00  0.00           H  
HETATM   58  H   UNL     1       9.264   1.930   0.545  1.00  0.00           H  
HETATM   59  H   UNL     1       7.466   1.479  -3.311  1.00  0.00           H  
HETATM   60  H   UNL     1       9.234   1.373  -3.136  1.00  0.00           H  
HETATM   61  H   UNL     1       8.197   0.073  -2.500  1.00  0.00           H  
HETATM   62  H   UNL     1       2.574  -3.464   2.435  1.00  0.00           H  
HETATM   63  H   UNL     1       3.389  -4.925   2.279  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.071  -1.481  -1.569  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.072   1.856  -1.677  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.257   1.293  -3.155  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.736  -0.738  -3.139  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.262   1.903  -3.059  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.295   1.336  -4.442  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.076   0.649  -0.969  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.591   0.710  -4.645  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.316   2.893   0.660  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.033  -0.160   2.621  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.145   0.308   4.727  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.277   2.283   3.431  1.00  0.00           H  
CONECT    1    2    5   32                                            
CONECT    2    1    3   35   35                                       
CONECT    3    2    4   36                                            
CONECT    4    3    5    5   41                                       
CONECT    5    1    4    4                                            
CONECT    6    7    7   27                                            
CONECT    7    6    6    8   28                                       
CONECT    8    7    9                                                 
CONECT    9    8   27   27   49                                       
CONECT   10   11   13   15   50                                       
CONECT   11   10   14   14   51                                       
CONECT   12   13   29   52                                            
CONECT   13   10   12   53   54                                       
CONECT   14   11   11                                                 
CONECT   15   10   16   55                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   27                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   25   25   26                                       
CONECT   23   21   56   57   58                                       
CONECT   24   21   59   60   61                                       
CONECT   25   22   22                                                 
CONECT   26   22                                                      
CONECT   27    6    9    9   18                                       
CONECT   28    7   62   63                                            
CONECT   29   12   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   64                                            
CONECT   32    1   31   33   33                                       
CONECT   32   34   34                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35    2    2                                                 
CONECT   36    3   37   65   66                                       
CONECT   37   36   38   39   67                                       
CONECT   38   37   40   68   69                                       
CONECT   39   37   70                                                 
CONECT   40   38   71                                                 
CONECT   41    4   42   42   46                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   44   72                                       
CONECT   44   43   43   45   48                                       
CONECT   45   44   46   46   47                                       
CONECT   46   41   45   45   73                                       
CONECT   47   45   74                                                 
CONECT   48   44   75                                                 
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   43                                                      
CONECT   73   46                                                      
CONECT   74   47                                                      
CONECT   75   48                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
