COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -6.263  -7.407   1.018  1.00  0.00           N  
HETATM    2  C   UNK     1      -5.310  -6.805   0.077  1.00  0.00           C  
HETATM    3  C   UNK     1      -4.670  -5.572   0.718  1.00  0.00           C  
HETATM    4  C   UNK     1      -4.237  -7.808  -0.262  1.00  0.00           C  
HETATM    5  O   UNK     1      -4.040  -8.751   0.466  1.00  0.00           O  
HETATM    6  C   UNK     1      -5.101  -3.270   1.590  1.00  0.00           C  
HETATM    7  C   UNK     1      -6.172  -2.202   1.820  1.00  0.00           C  
HETATM    8  N   UNK     1      -5.559  -1.021   2.434  1.00  0.00           N  
HETATM    9  C   UNK     1      -5.555   0.109   1.802  1.00  0.00           C  
HETATM   10  C   UNK     1      -4.832   1.295   2.384  1.00  0.00           C  
HETATM   11  S   UNK     1      -6.397   0.259   0.261  1.00  0.00           S  
HETATM   12  C   UNK     1      -5.918   1.944  -0.195  1.00  0.00           C  
HETATM   13  O   UNK     1      -4.509   2.007  -0.463  1.00  0.00           O  
HETATM   14  C   UNK     1      -4.256   2.913  -1.543  1.00  0.00           C  
HETATM   15  C   UNK     1      -5.619   3.445  -2.035  1.00  0.00           C  
HETATM   16  O   UNK     1      -5.646   3.531  -3.461  1.00  0.00           O  
HETATM   17  C   UNK     1      -6.601   2.356  -1.524  1.00  0.00           C  
HETATM   18  O   UNK     1      -6.667   1.254  -2.432  1.00  0.00           O  
HETATM   19  C   UNK     1      -3.391   4.077  -1.053  1.00  0.00           C  
HETATM   20  O   UNK     1      -2.095   3.591  -0.699  1.00  0.00           O  
HETATM   21  P   UNK     1      -0.923   4.544  -0.142  1.00  0.00           P  
HETATM   22  O   UNK     1      -0.692   5.651  -1.096  1.00  0.00           O  
HETATM   23  O   UNK     1      -1.357   5.148   1.286  1.00  0.00           O  
HETATM   24  O   UNK     1       0.431   3.689   0.026  1.00  0.00           O  
HETATM   25  P   UNK     1       1.980   4.076   0.231  1.00  0.00           P  
HETATM   26  O   UNK     1       2.591   4.600  -1.163  1.00  0.00           O  
HETATM   27  O   UNK     1       2.091   5.142   1.251  1.00  0.00           O  
HETATM   28  O   UNK     1       2.797   2.778   0.721  1.00  0.00           O  
HETATM   29  C   UNK     1       4.177   2.820   1.090  1.00  0.00           C  
HETATM   30  C   UNK     1       4.637   1.421   1.503  1.00  0.00           C  
HETATM   31  C   UNK     1       6.091   1.465   2.025  1.00  0.00           C  
HETATM   32  O   UNK     1       6.109   1.499   3.454  1.00  0.00           O  
HETATM   33  C   UNK     1       6.716   0.152   1.506  1.00  0.00           C  
HETATM   34  O   UNK     1       7.140  -0.667   2.599  1.00  0.00           O  
HETATM   35  C   UNK     1       5.567  -0.531   0.732  1.00  0.00           C  
HETATM   36  O   UNK     1       4.685   0.547   0.354  1.00  0.00           O  
HETATM   37  N   UNK     1       6.086  -1.207  -0.460  1.00  0.00           N  
HETATM   38  C   UNK     1       6.614  -2.473  -0.510  1.00  0.00           C  
HETATM   39  C   UNK     1       6.975  -2.689  -1.851  1.00  0.00           C  
HETATM   40  N   UNK     1       6.655  -1.565  -2.536  1.00  0.00           N  
HETATM   41  C   UNK     1       6.128  -0.697  -1.723  1.00  0.00           C  
HETATM   42  N   UNK     1       6.827  -3.437   0.380  1.00  0.00           N  
HETATM   43  C   UNK     1       7.369  -4.580   0.014  1.00  0.00           C  
HETATM   44  N   UNK     1       7.725  -4.828  -1.233  1.00  0.00           N  
HETATM   45  C   UNK     1       7.550  -3.925  -2.192  1.00  0.00           C  
HETATM   46  N   UNK     1       7.925  -4.195  -3.497  1.00  0.00           N  
HETATM   47  C   UNK     1      -5.741  -4.503   0.948  1.00  0.00           C  
HETATM   48  O   UNK     1      -3.501  -7.653  -1.374  1.00  0.00           O  
HETATM   49  H   UNK     1      -5.802  -7.688   1.870  1.00  0.00           H  
HETATM   50  H   UNK     1      -4.222  -5.849   1.672  1.00  0.00           H  
HETATM   51  H   UNK     1      -3.899  -5.177   0.056  1.00  0.00           H  
HETATM   52  H   UNK     1      -4.330  -2.875   0.928  1.00  0.00           H  
HETATM   53  H   UNK     1      -4.653  -3.548   2.544  1.00  0.00           H  
HETATM   54  H   UNK     1      -6.619  -1.924   0.866  1.00  0.00           H  
HETATM   55  H   UNK     1      -6.943  -2.597   2.482  1.00  0.00           H  
HETATM   56  H   UNK     1      -3.830   1.355   1.958  1.00  0.00           H  
HETATM   57  H   UNK     1      -5.381   2.207   2.149  1.00  0.00           H  
HETATM   58  H   UNK     1      -4.760   1.183   3.466  1.00  0.00           H  
HETATM   59  H   UNK     1      -6.186   2.641   0.599  1.00  0.00           H  
HETATM   60  H   UNK     1      -3.748   2.390  -2.353  1.00  0.00           H  
HETATM   61  H   UNK     1      -5.844   4.412  -1.585  1.00  0.00           H  
HETATM   62  H   UNK     1      -6.482   3.860  -3.819  1.00  0.00           H  
HETATM   63  H   UNK     1      -7.592   2.773  -1.344  1.00  0.00           H  
HETATM   64  H   UNK     1      -7.183   0.505  -2.105  1.00  0.00           H  
HETATM   65  H   UNK     1      -3.298   4.819  -1.845  1.00  0.00           H  
HETATM   66  H   UNK     1      -3.858   4.534  -0.180  1.00  0.00           H  
HETATM   67  H   UNK     1      -1.525   4.477   1.962  1.00  0.00           H  
HETATM   68  H   UNK     1       2.552   3.951  -1.879  1.00  0.00           H  
HETATM   69  H   UNK     1       4.769   3.162   0.242  1.00  0.00           H  
HETATM   70  H   UNK     1       4.308   3.507   1.926  1.00  0.00           H  
HETATM   71  H   UNK     1       3.973   1.013   2.265  1.00  0.00           H  
HETATM   72  H   UNK     1       6.617   2.327   1.616  1.00  0.00           H  
HETATM   73  H   UNK     1       6.997   1.527   3.835  1.00  0.00           H  
HETATM   74  H   UNK     1       7.554   0.364   0.842  1.00  0.00           H  
HETATM   75  H   UNK     1       7.819  -0.260   3.155  1.00  0.00           H  
HETATM   76  H   UNK     1       5.047  -1.242   1.374  1.00  0.00           H  
HETATM   77  H   UNK     1       5.778   0.285  -2.006  1.00  0.00           H  
HETATM   78  H   UNK     1       7.529  -5.342   0.762  1.00  0.00           H  
HETATM   79  H   UNK     1       7.792  -3.527  -4.188  1.00  0.00           H  
HETATM   80  H   UNK     1       8.321  -5.052  -3.720  1.00  0.00           H  
HETATM   81  H   UNK     1      -6.188  -4.226  -0.006  1.00  0.00           H  
HETATM   82  H   UNK     1      -6.511  -4.898   1.610  1.00  0.00           H  
HETATM   83  H   UNK     1      -2.825  -8.322  -1.550  1.00  0.00           H  
HETATM   84  H   UNK     1      -5.833  -6.511  -0.833  1.00  0.00           H  
HETATM   85  H   UNK     1      -7.027  -6.777   1.212  1.00  0.00           H  
CONECT    1    2   49   85                                            
CONECT    2    1    4    3   84                                       
CONECT    3    2   47   50   51                                       
CONECT    4    2    5    5   48                                       
CONECT    5    4    4                                                 
CONECT    6   47    7   52   53                                       
CONECT    7    6    8   54   55                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   11   10                                       
CONECT   10    9   56   57   58                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   17   59                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   19   60                                       
CONECT   15   14   17   16   61                                       
CONECT   16   15   62                                                 
CONECT   17   12   15   18   63                                       
CONECT   18   17   64                                                 
CONECT   19   14   20   65   66                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   67                                                 
CONECT   24   21   25                                                 
CONECT   25   24   27   27   28                                       
CONECT   25   26                                                      
CONECT   26   25   68                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   36   71                                       
CONECT   31   30   32   33   72                                       
CONECT   32   31   73                                                 
CONECT   33   31   34   35   74                                       
CONECT   34   33   75                                                 
CONECT   35   33   36   37   76                                       
CONECT   36   30   35                                                 
CONECT   37   35   38   41                                            
CONECT   38   37   42   42   39                                       
CONECT   39   38   40   45   45                                       
CONECT   40   39   41   41                                            
CONECT   41   37   40   40   77                                       
CONECT   42   38   38   43                                            
CONECT   43   42   44   44   78                                       
CONECT   44   43   43   45                                            
CONECT   45   39   39   44   46                                       
CONECT   46   45   79   80                                            
CONECT   47    3    6   81   82                                       
CONECT   48    4   83                                                 
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   46                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
CONECT   82   47                                                      
CONECT   83   48                                                      
CONECT   84    2                                                      
CONECT   85    1                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
