COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.026  -3.042  -1.479  1.00  0.00           N  
HETATM    2  C   UNL     1       3.362   1.981   0.216  1.00  0.00           C  
HETATM    3  C   UNL     1       4.279   3.918  -0.151  1.00  0.00           C  
HETATM    4  N   UNL     1       4.670   1.730  -0.119  1.00  0.00           N  
HETATM    5  C   UNL     1       5.270   2.941  -0.356  1.00  0.00           C  
HETATM    6  O   UNL     1       2.639  -5.417  -1.116  1.00  0.00           O  
HETATM    7  C   UNL     1       0.566  -3.834  -0.556  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.662  -0.228   1.433  1.00  0.00           O  
HETATM    9  C   UNL     1       5.581  -0.155   1.208  1.00  0.00           C  
HETATM   10  C   UNL     1       5.622  -1.680   0.942  1.00  0.00           C  
HETATM   11  N   UNL     1       3.141   3.275   0.188  1.00  0.00           N  
HETATM   12  C   UNL     1       5.306   0.414  -0.207  1.00  0.00           C  
HETATM   13  O   UNL     1       6.972  -2.128   0.809  1.00  0.00           O  
HETATM   14  C   UNL     1       4.862  -1.852  -0.387  1.00  0.00           C  
HETATM   15  O   UNL     1       6.837   0.309   1.709  1.00  0.00           O  
HETATM   16  C   UNL     1       3.670  -2.790  -0.188  1.00  0.00           C  
HETATM   17  N   UNL     1       6.494   3.326  -0.703  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.629  -4.552   0.260  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.509  -4.922  -0.616  1.00  0.00           C  
HETATM   20  O   UNL     1       1.553  -4.240  -3.001  1.00  0.00           O  
HETATM   21  C   UNL     1       6.779   4.603  -0.853  1.00  0.00           C  
HETATM   22  C   UNL     1       4.634   5.269  -0.325  1.00  0.00           C  
HETATM   23  C   UNL     1       2.387   0.984   0.539  1.00  0.00           C  
HETATM   24  C   UNL     1       1.588   0.166   0.805  1.00  0.00           C  
HETATM   25  C   UNL     1       0.586  -0.860   1.138  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.709  -1.140   1.771  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.991  -0.358   2.065  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.888   0.524   1.119  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.392  -0.726   1.881  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.114  -1.317   2.517  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.252   0.192  -1.355  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.110   1.264  -1.677  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.797   1.369  -0.311  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.709   2.602   0.013  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.285   1.881  -2.138  1.00  0.00           C  
HETATM   36  N   UNL     1      -9.044   2.531  -1.262  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.644   1.813  -3.473  1.00  0.00           N  
HETATM   38  N   UNL     1       5.883   5.556  -0.672  1.00  0.00           N  
HETATM   39  N   UNL     1       3.702   6.275  -0.137  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.619   0.688  -0.140  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.128   0.531  -2.256  1.00  0.00           N  
HETATM   42  N   UNL     1      -7.618   2.041   0.490  1.00  0.00           N  
HETATM   43  O   UNL     1       4.402  -0.550  -0.788  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.492   0.259   0.860  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.328  -0.351   2.893  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.222  -1.326   3.942  1.00  0.00           O  
HETATM   47  S   UNL     1       1.949  -4.290  -1.638  1.00  0.00           S  
HETATM   48  H   UNL     1       3.227  -2.476  -2.240  1.00  0.00           H  
HETATM   49  H   UNL     1       0.142  -2.886  -0.888  1.00  0.00           H  
HETATM   50  H   UNL     1       0.924  -3.733   0.468  1.00  0.00           H  
HETATM   51  H   UNL     1       4.773   0.099   1.894  1.00  0.00           H  
HETATM   52  H   UNL     1       5.119  -2.220   1.744  1.00  0.00           H  
HETATM   53  H   UNL     1       6.230   0.473  -0.783  1.00  0.00           H  
HETATM   54  H   UNL     1       7.512  -1.990   1.599  1.00  0.00           H  
HETATM   55  H   UNL     1       5.531  -2.258  -1.146  1.00  0.00           H  
HETATM   56  H   UNL     1       7.095  -0.089   2.552  1.00  0.00           H  
HETATM   57  H   UNL     1       2.954  -2.328   0.491  1.00  0.00           H  
HETATM   58  H   UNL     1       4.017  -3.733   0.235  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.998  -3.646   0.013  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.352  -5.255   0.238  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.867  -5.023  -1.641  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.085  -5.869  -0.284  1.00  0.00           H  
HETATM   63  H   UNL     1       7.784   4.881  -1.135  1.00  0.00           H  
HETATM   64  H   UNL     1       0.920  -1.427   2.006  1.00  0.00           H  
HETATM   65  H   UNL     1       0.460  -1.534   0.290  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.882  -1.820   0.936  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.422  -1.713   2.652  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.806   0.397   2.830  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.996   1.414   1.739  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.840  -1.439   1.190  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.931  -2.324   2.141  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.364  -0.392  -1.544  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.354   3.142   0.691  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.082   1.335  -4.102  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.458   2.243  -3.779  1.00  0.00           H  
HETATM   76  H   UNL     1       3.958   7.203  -0.260  1.00  0.00           H  
HETATM   77  H   UNL     1       2.793   6.053   0.116  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.631  -1.088   3.441  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.951  -1.866   4.278  1.00  0.00           H  
CONECT    1   47   16   48                                            
CONECT    2   11   11   23    4                                       
CONECT    3   22   11    5    5                                       
CONECT    4    2    5   12                                            
CONECT    5    3    3   17    4                                       
CONECT    6   47   47                                                 
CONECT    7   47   19   49   50                                       
CONECT    8   26   25                                                 
CONECT    9   12   10   15   51                                       
CONECT   10   14    9   13   52                                       
CONECT   11    3    2    2                                            
CONECT   12   43    4    9   53                                       
CONECT   13   10   54                                                 
CONECT   14   16   43   10   55                                       
CONECT   15    9   56                                                 
CONECT   16    1   14   57   58                                       
CONECT   17   21   21    5                                            
CONECT   18   19   59   60                                            
CONECT   19    7   18   61   62                                       
CONECT   20   47   47                                                 
CONECT   21   38   17   17   63                                       
CONECT   22   39   38   38    3                                       
CONECT   23    2   24   24   24                                       
CONECT   24   25   23   23   23                                       
CONECT   25    8   24   64   65                                       
CONECT   26   27    8   66   67                                       
CONECT   27   30   44   26   68                                       
CONECT   28   29   40   44   69                                       
CONECT   29   45   30   28   70                                       
CONECT   30   29   46   27   71                                       
CONECT   31   41   41   40   72                                       
CONECT   32   41   35   35   33                                       
CONECT   33   32   40   42   42                                       
CONECT   34   36   36   42   73                                       
CONECT   35   37   32   32   36                                       
CONECT   36   35   34   34                                            
CONECT   37   35   74   75                                            
CONECT   38   22   22   21                                            
CONECT   39   22   76   77                                            
CONECT   40   31   33   28                                            
CONECT   41   32   31   31                                            
CONECT   42   33   33   34                                            
CONECT   43   14   12                                                 
CONECT   44   28   27                                                 
CONECT   45   29   78                                                 
CONECT   46   30   79                                                 
CONECT   47   20   20    7    6                                       
CONECT   47    6    1                                                 
CONECT   48    1                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
