COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.837  -2.687  -2.024  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.106  -1.151   0.192  1.00  0.00           C  
HETATM    3  C   UNL     1       1.020  -0.619   0.804  1.00  0.00           C  
HETATM    4  C   UNL     1       3.631  -3.022   0.915  1.00  0.00           C  
HETATM    5  C   UNL     1       4.359  -1.842   0.640  1.00  0.00           C  
HETATM    6  C   UNL     1       5.816  -1.735   0.460  1.00  0.00           C  
HETATM    7  C   UNL     1       3.446  -0.807   0.570  1.00  0.00           C  
HETATM    8  C   UNL     1       3.758   0.642   0.295  1.00  0.00           C  
HETATM    9  C   UNL     1       3.131   1.276  -0.948  1.00  0.00           C  
HETATM   10  C   UNL     1       2.726   2.725  -0.861  1.00  0.00           C  
HETATM   11  C   UNL     1       1.406   3.087  -1.057  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.407  -1.304  -1.840  1.00  0.00           C  
HETATM   13  C   UNL     1       1.035   4.416  -0.977  1.00  0.00           C  
HETATM   14  C   UNL     1       1.983   5.383  -0.701  1.00  0.00           C  
HETATM   15  C   UNL     1       3.303   5.021  -0.504  1.00  0.00           C  
HETATM   16  C   UNL     1       3.673   3.692  -0.579  1.00  0.00           C  
HETATM   17  C   UNL     1       4.627   0.958  -0.924  1.00  0.00           C  
HETATM   18  C   UNL     1       0.949   0.618   1.430  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.241   1.321   1.443  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.364   0.794   0.835  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.713   0.284   0.482  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.554   0.595  -0.570  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.266   1.780  -0.559  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.138   2.653   0.505  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.297   2.342   1.557  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.584   1.157   1.545  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.298  -0.442   0.202  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.434  -0.973  -0.413  1.00  0.00           N  
HETATM   29  N   UNL     1       2.227  -1.331   0.791  1.00  0.00           N  
HETATM   30  N   UNL     1       2.367  -2.708   0.998  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.715  -3.204  -3.257  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.392  -1.457   1.809  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.594  -2.158  -0.267  1.00  0.00           O  
HETATM   34  O   UNL     1       6.581  -2.845   0.481  1.00  0.00           O  
HETATM   35  O   UNL     1       6.330  -0.647   0.291  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.484  -3.328  -1.063  1.00  0.00           O  
HETATM   37  S   UNL     1      -3.811  -1.230   0.470  1.00  0.00           S  
HETATM   38  H   UNL     1      -0.053  -2.113  -0.296  1.00  0.00           H  
HETATM   39  H   UNL     1       4.047  -4.011   1.033  1.00  0.00           H  
HETATM   40  H   UNL     1       3.877   1.272   1.176  1.00  0.00           H  
HETATM   41  H   UNL     1       2.492   0.646  -1.567  1.00  0.00           H  
HETATM   42  H   UNL     1       0.666   2.331  -1.273  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.786  -0.581  -2.369  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.421  -1.273  -2.240  1.00  0.00           H  
HETATM   45  H   UNL     1       0.004   4.699  -1.130  1.00  0.00           H  
HETATM   46  H   UNL     1       1.693   6.422  -0.638  1.00  0.00           H  
HETATM   47  H   UNL     1       4.043   5.777  -0.289  1.00  0.00           H  
HETATM   48  H   UNL     1       4.703   3.409  -0.421  1.00  0.00           H  
HETATM   49  H   UNL     1       5.319   1.797  -0.844  1.00  0.00           H  
HETATM   50  H   UNL     1       4.974   0.119  -1.527  1.00  0.00           H  
HETATM   51  H   UNL     1       1.825   1.032   1.907  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.294   2.283   1.931  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.293   1.345   0.848  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.655  -0.088  -1.401  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.923   2.023  -1.381  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.694   3.579   0.513  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.196   3.024   2.388  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.927   0.914   2.367  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.344  -4.094  -3.325  1.00  0.00           H  
HETATM   60  H   UNL     1       7.532  -2.725   0.359  1.00  0.00           H  
CONECT    1   36   36   12   31                                       
CONECT    2   27   27    3   38                                       
CONECT    3   18   18    2   29                                       
CONECT    4   30   30    5   39                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5   35   35   34                                       
CONECT    7   29    8    5    5                                       
CONECT    8   17    7    9   40                                       
CONECT    9   17    8   10   41                                       
CONECT   10    9   16   16   11                                       
CONECT   11   10   13   13   42                                       
CONECT   12   28    1   43   44                                       
CONECT   13   11   11   14   45                                       
CONECT   14   15   15   13   46                                       
CONECT   15   16   14   14   47                                       
CONECT   16   10   10   15   48                                       
CONECT   17    8    9   49   50                                       
CONECT   18   19    3    3   51                                       
CONECT   19   20   20   18   52                                       
CONECT   20   19   19   27   53                                       
CONECT   21   37   22   22   26                                       
CONECT   22   21   21   23   54                                       
CONECT   23   22   24   24   55                                       
CONECT   24   23   23   25   56                                       
CONECT   25   26   26   24   57                                       
CONECT   26   21   25   25   58                                       
CONECT   27   20   28    2    2                                       
CONECT   28   37   27   12                                            
CONECT   29    3   30    7                                            
CONECT   30   29    4    4                                            
CONECT   31    1   59                                                 
CONECT   32   37   37                                                 
CONECT   33   37   37                                                 
CONECT   34    6   60                                                 
CONECT   35    6    6                                                 
CONECT   36    1    1                                                 
CONECT   37   33   33   32   32                                       
CONECT   37   28   21                                                 
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   31                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
