COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.172   4.892  -0.973  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.249   4.171   0.249  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.942   4.651   1.393  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.861   2.819  -0.088  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.192   2.029   1.056  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.797   0.700   0.600  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.264  -0.111   1.828  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.677  -0.001   2.003  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.866  -1.561   1.436  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.869  -2.165   0.616  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.568  -1.302   0.631  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.326  -2.398  -0.310  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.695  -3.584  -0.031  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.137  -4.118   1.051  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.594  -5.316   1.004  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.571  -6.041  -0.099  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.104  -5.590  -1.230  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.076  -6.358  -2.381  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.697  -4.316  -1.230  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.318  -3.554  -2.162  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.692  -2.430  -1.623  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.805  -0.077  -0.080  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.688   3.896   0.729  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.791   3.402  -0.147  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.126   3.159  -1.286  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.370   3.152   0.290  1.00  0.00           C  
HETATM   27  C   UNL     1       0.435   2.595  -0.886  1.00  0.00           C  
HETATM   28  C   UNL     1       1.877   2.341  -0.442  1.00  0.00           C  
HETATM   29  C   UNL     1       2.681   1.784  -1.618  1.00  0.00           C  
HETATM   30  C   UNL     1       4.102   1.534  -1.181  1.00  0.00           C  
HETATM   31  C   UNL     1       5.038   2.594  -1.214  1.00  0.00           C  
HETATM   32  O   UNL     1       4.677   3.698  -1.596  1.00  0.00           O  
HETATM   33  C   UNL     1       6.370   2.410  -0.817  1.00  0.00           C  
HETATM   34  C   UNL     1       6.795   1.188  -0.386  1.00  0.00           C  
HETATM   35  C   UNL     1       5.844   0.068  -0.342  1.00  0.00           C  
HETATM   36  C   UNL     1       4.462   0.301  -0.759  1.00  0.00           C  
HETATM   37  O   UNL     1       8.072   0.985   0.002  1.00  0.00           O  
HETATM   38  C   UNL     1       8.446  -0.244   0.421  1.00  0.00           C  
HETATM   39  C   UNL     1       7.511  -1.308   0.455  1.00  0.00           C  
HETATM   40  N   UNL     1       6.245  -1.119   0.074  1.00  0.00           N  
HETATM   41  C   UNL     1       9.753  -0.470   0.822  1.00  0.00           C  
HETATM   42  C   UNL     1      10.137  -1.730   1.253  1.00  0.00           C  
HETATM   43  O   UNL     1      11.417  -1.946   1.645  1.00  0.00           O  
HETATM   44  C   UNL     1       9.214  -2.780   1.286  1.00  0.00           C  
HETATM   45  C   UNL     1       7.927  -2.583   0.897  1.00  0.00           C  
HETATM   46  H   UNL     1      -4.291   1.838   1.639  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.915   2.566   1.671  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.641   0.886  -0.064  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.734   0.206   2.727  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.019  -0.494   2.762  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.667  -2.166   2.320  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.731  -2.248   1.045  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.720  -1.191   1.307  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.149  -5.721   1.901  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.663  -7.236  -2.369  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.468  -6.018  -3.201  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.214  -1.638  -2.140  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.420   4.090   1.641  1.00  0.00           H  
HETATM   59  H   UNL     1       0.077   4.088   0.626  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.363   2.432   1.109  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.013   1.659  -1.221  1.00  0.00           H  
HETATM   62  H   UNL     1       0.428   3.315  -1.704  1.00  0.00           H  
HETATM   63  H   UNL     1       2.324   3.277  -0.107  1.00  0.00           H  
HETATM   64  H   UNL     1       1.884   1.621   0.376  1.00  0.00           H  
HETATM   65  H   UNL     1       2.234   0.849  -1.954  1.00  0.00           H  
HETATM   66  H   UNL     1       2.674   2.504  -2.437  1.00  0.00           H  
HETATM   67  H   UNL     1       7.061   3.239  -0.852  1.00  0.00           H  
HETATM   68  H   UNL     1       3.740  -0.503  -0.738  1.00  0.00           H  
HETATM   69  H   UNL     1      10.472   0.336   0.799  1.00  0.00           H  
HETATM   70  H   UNL     1      11.571  -1.792   2.587  1.00  0.00           H  
HETATM   71  H   UNL     1       9.526  -3.757   1.624  1.00  0.00           H  
HETATM   72  H   UNL     1       7.222  -3.401   0.927  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   23    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   46   47                                       
CONECT    6    5    7   22   48                                       
CONECT    7    8    6    9   49                                       
CONECT    8    7   50                                                 
CONECT    9    7   11   10   51                                       
CONECT   10    9   52                                                 
CONECT   11    9   22   12   53                                       
CONECT   12   11   21   13                                            
CONECT   13   12   14   19   19                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   54                                       
CONECT   16   15   17   17                                            
CONECT   17   19   16   16   18                                       
CONECT   18   17   55   56                                            
CONECT   19   13   13   20   17                                       
CONECT   20   21   21   19                                            
CONECT   21   12   20   20   57                                       
CONECT   22    6   11                                                 
CONECT   23    2   24   58                                            
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   59   60                                       
CONECT   27   26   28   61   62                                       
CONECT   28   27   29   63   64                                       
CONECT   29   28   30   65   66                                       
CONECT   30   36   36   29   31                                       
CONECT   31   30   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   34   34   31   67                                       
CONECT   34   35   37   33   33                                       
CONECT   35   40   40   36   34                                       
CONECT   36   35   30   30   68                                       
CONECT   37   38   34                                                 
CONECT   38   39   39   41   37                                       
CONECT   39   45   40   38   38                                       
CONECT   40   39   35   35                                            
CONECT   41   42   42   38   69                                       
CONECT   42   44   43   41   41                                       
CONECT   43   42   70                                                 
CONECT   44   45   45   42   71                                       
CONECT   45   44   44   39   72                                       
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   41                                                      
CONECT   70   43                                                      
CONECT   71   44                                                      
CONECT   72   45                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
