COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.829  -3.518  -1.004  1.00  0.00           N  
HETATM    2  N   UNL     1       2.202  -3.055  -1.031  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.252  -2.485  -0.398  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.109  -4.428  -1.635  1.00  0.00           C  
HETATM    5  C   UNL     1       0.875  -3.377  -1.129  1.00  0.00           C  
HETATM    6  C   UNL     1       2.351  -1.891  -0.309  1.00  0.00           C  
HETATM    7  C   UNL     1       3.640  -1.237   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       6.036  -1.181  -0.160  1.00  0.00           C  
HETATM    9  C   UNL     1       7.718   3.993  -1.420  1.00  0.00           C  
HETATM   10  C   UNL     1       3.667  -0.058   0.747  1.00  0.00           C  
HETATM   11  C   UNL     1       0.149  -2.383  -0.445  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.081   1.850   1.538  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.240   2.210   0.852  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.804   1.305  -0.017  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.873   3.211  -0.176  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.796   3.572   1.145  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.135   0.601  -0.692  1.00  0.00           O  
HETATM   18  S   UNL     1      -7.254   1.686  -0.949  1.00  0.00           S  
HETATM   19  O   UNL     1      -6.772   1.949  -2.260  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.662   4.133   0.031  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.508   0.610   1.361  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.234   0.051  -0.187  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.085  -0.297   0.492  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.470  -1.659   0.297  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.875  -2.573   1.455  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.492  -1.915   2.782  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.387  -2.803   1.418  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.010  -1.535   0.260  1.00  0.00           N  
HETATM   29  N   UNL     1       0.204  -4.373  -1.704  1.00  0.00           N  
HETATM   30  C   UNL     1       1.130  -1.437   0.074  1.00  0.00           C  
HETATM   31  C   UNL     1       4.874   0.547   1.033  1.00  0.00           C  
HETATM   32  C   UNL     1       6.056  -0.013   0.581  1.00  0.00           C  
HETATM   33  C   UNL     1       4.837  -1.799  -0.447  1.00  0.00           C  
HETATM   34  S   UNL     1       7.592   0.770   0.944  1.00  0.00           S  
HETATM   35  O   UNL     1       7.377   1.555   2.109  1.00  0.00           O  
HETATM   36  O   UNL     1       8.587  -0.242   0.862  1.00  0.00           O  
HETATM   37  N   UNL     1       7.903   1.833  -0.286  1.00  0.00           N  
HETATM   38  C   UNL     1       7.026   2.988  -0.496  1.00  0.00           C  
HETATM   39  O   UNL     1       7.891   3.410  -2.713  1.00  0.00           O  
HETATM   40  H   UNL     1       2.929  -3.570  -1.413  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.618  -5.251  -2.114  1.00  0.00           H  
HETATM   42  H   UNL     1       6.962  -1.613  -0.510  1.00  0.00           H  
HETATM   43  H   UNL     1       7.104   4.890  -1.505  1.00  0.00           H  
HETATM   44  H   UNL     1       8.691   4.256  -1.006  1.00  0.00           H  
HETATM   45  H   UNL     1       2.745   0.380   1.100  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.622   2.556   2.215  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.599   3.691  -0.832  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.335   2.980   0.784  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.392   3.516   2.055  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.965   4.257   1.318  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.083   4.187  -0.890  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.007   5.130   0.305  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.610   0.347   1.901  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.690  -0.656  -0.864  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.822  -2.085  -0.643  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.360  -3.529   1.361  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.007  -0.960   2.876  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.781  -2.567   3.607  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.414  -1.752   2.808  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.661  -3.272   0.472  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.676  -3.454   2.243  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.903  -1.847   1.512  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.576  -0.786   0.698  1.00  0.00           H  
HETATM   64  H   UNL     1       0.925  -0.548   0.651  1.00  0.00           H  
HETATM   65  H   UNL     1       4.896   1.459   1.610  1.00  0.00           H  
HETATM   66  H   UNL     1       4.823  -2.714  -1.022  1.00  0.00           H  
HETATM   67  H   UNL     1       8.666   1.692  -0.868  1.00  0.00           H  
HETATM   68  H   UNL     1       6.814   3.462   0.462  1.00  0.00           H  
HETATM   69  H   UNL     1       6.093   2.657  -0.953  1.00  0.00           H  
HETATM   70  H   UNL     1       8.325   3.992  -3.352  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   40                                            
CONECT    3   28    1    1   11                                       
CONECT    4    1   29   29   41                                       
CONECT    5   29    2   11   11                                       
CONECT    6    2    7   30   30                                       
CONECT    7    6   33   33   10                                       
CONECT    8   33   32   32   42                                       
CONECT    9   38   39   43   44                                       
CONECT   10   31   31    7   45                                       
CONECT   11   30    3    5    5                                       
CONECT   12   21   13   13   46                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   22   22   18                                       
CONECT   15   18   20   47   48                                       
CONECT   16   20   13   49   50                                       
CONECT   17   18   18                                                 
CONECT   18   14   19   19   17                                       
CONECT   18   17   15                                                 
CONECT   19   18   18                                                 
CONECT   20   15   16   51   52                                       
CONECT   21   23   23   12   53                                       
CONECT   22   14   14   23   54                                       
CONECT   23   24   21   21   22                                       
CONECT   24   25   28   23   55                                       
CONECT   25   27   26   24   56                                       
CONECT   26   25   57   58   59                                       
CONECT   27   25   60   61   62                                       
CONECT   28   24    3   63                                            
CONECT   29    4    4    5                                            
CONECT   30    6    6   11   64                                       
CONECT   31   32   10   10   65                                       
CONECT   32    8    8   34   31                                       
CONECT   33    7    7    8   66                                       
CONECT   34   32   35   35   36                                       
CONECT   34   36   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   67                                            
CONECT   38   37    9   68   69                                       
CONECT   39    9   70                                                 
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
