COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.815   0.099  -0.238  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.257   0.498  -1.142  1.00  0.00           N  
HETATM    3  C   UNL     1       1.823  -0.584  -0.843  1.00  0.00           C  
HETATM    4  C   UNL     1       3.993   0.513  -1.005  1.00  0.00           C  
HETATM    5  C   UNL     1       4.959   1.266  -0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       5.490   0.314   0.986  1.00  0.00           C  
HETATM    7  C   UNL     1       6.223  -0.851   0.318  1.00  0.00           C  
HETATM    8  C   UNL     1       8.359   0.442   0.409  1.00  0.00           C  
HETATM    9  C   UNL     1       7.095   2.559   0.002  1.00  0.00           C  
HETATM   10  C   UNL     1       6.862   0.641  -1.582  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.543  -1.550  -0.241  1.00  0.00           C  
HETATM   12  O   UNL     1       0.997  -1.335   1.280  1.00  0.00           O  
HETATM   13  S   UNL     1      -2.614  -3.037  -0.413  1.00  0.00           S  
HETATM   14  O   UNL     1      -2.471  -3.262  -1.809  1.00  0.00           O  
HETATM   15  C   UNL     1       0.609  -1.005  -0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.092  -1.696   2.134  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.564  -0.618  -1.260  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.766  -2.959   1.586  1.00  0.00           C  
HETATM   19  N   UNL     1       4.255   2.384   0.553  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.403   0.143  -0.025  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.675   1.965   0.030  1.00  0.00           N  
HETATM   22  C   UNL     1       6.129   1.806  -0.914  1.00  0.00           C  
HETATM   23  C   UNL     1       6.456   1.067   1.902  1.00  0.00           C  
HETATM   24  C   UNL     1       7.626   1.607   1.076  1.00  0.00           C  
HETATM   25  C   UNL     1       7.392  -0.311  -0.508  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.093  -2.734   0.169  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.029  -2.233  -0.715  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.201  -3.982   0.471  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.955   0.769  -0.051  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.591   2.195   0.979  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.178   3.576   0.779  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.434   4.108  -0.463  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.502   2.975  -0.831  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.980  -0.123   1.013  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.263  -1.303   0.919  1.00  0.00           C  
HETATM   36  O   UNL     1       1.907  -0.861  -2.021  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.901   1.421   1.859  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.726   2.979  -1.762  1.00  0.00           O  
HETATM   39  H   UNL     1       2.747   0.320   0.704  1.00  0.00           H  
HETATM   40  H   UNL     1       4.489  -0.368  -1.412  1.00  0.00           H  
HETATM   41  H   UNL     1       3.684   1.165  -1.822  1.00  0.00           H  
HETATM   42  H   UNL     1       4.656  -0.071   1.574  1.00  0.00           H  
HETATM   43  H   UNL     1       6.601  -1.529   1.083  1.00  0.00           H  
HETATM   44  H   UNL     1       5.534  -1.387  -0.335  1.00  0.00           H  
HETATM   45  H   UNL     1       9.192   0.826  -0.180  1.00  0.00           H  
HETATM   46  H   UNL     1       8.737  -0.236   1.174  1.00  0.00           H  
HETATM   47  H   UNL     1       7.928   2.943  -0.586  1.00  0.00           H  
HETATM   48  H   UNL     1       6.573   3.388   0.478  1.00  0.00           H  
HETATM   49  H   UNL     1       6.174   0.104  -2.235  1.00  0.00           H  
HETATM   50  H   UNL     1       7.695   1.025  -2.170  1.00  0.00           H  
HETATM   51  H   UNL     1       0.282  -1.888   3.139  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.816  -0.881   2.164  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.006  -0.805  -2.166  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.086  -3.806   1.676  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.679  -3.160   2.147  1.00  0.00           H  
HETATM   56  H   UNL     1       3.477   2.053   1.104  1.00  0.00           H  
HETATM   57  H   UNL     1       4.887   2.936   1.113  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.699   0.394  -1.043  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.281  -0.162   0.545  1.00  0.00           H  
HETATM   60  H   UNL     1       0.051   1.015   0.446  1.00  0.00           H  
HETATM   61  H   UNL     1       5.751   2.484  -1.679  1.00  0.00           H  
HETATM   62  H   UNL     1       5.933   1.897   2.378  1.00  0.00           H  
HETATM   63  H   UNL     1       6.834   0.389   2.667  1.00  0.00           H  
HETATM   64  H   UNL     1       8.314   2.143   1.729  1.00  0.00           H  
HETATM   65  H   UNL     1       7.915  -1.141  -0.984  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.454  -1.953  -1.679  1.00  0.00           H  
HETATM   67  H   UNL     1       0.725  -3.007  -0.857  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.249   3.513   0.588  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.136   4.311  -1.272  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.550   0.102   1.902  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.264  -2.016   1.731  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.981   4.206   1.647  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.867   5.006  -0.214  1.00  0.00           H  
CONECT    1    4    3   39                                            
CONECT    2   17   17   29                                            
CONECT    3    1   36   36   15                                       
CONECT    4    1    5   40   41                                       
CONECT    5    4   19    6   22                                       
CONECT    6    5    7   23   42                                       
CONECT    7    6   25   43   44                                       
CONECT    8   25   24   45   46                                       
CONECT    9   22   24   47   48                                       
CONECT   10   22   25   49   50                                       
CONECT   11   13   35   35   17                                       
CONECT   12   16   15                                                 
CONECT   13   28   28   26   14                                       
CONECT   13   14   11                                                 
CONECT   14   13   13                                                 
CONECT   15   12    3   27   20                                       
CONECT   16   18   12   51   52                                       
CONECT   17   11    2    2   53                                       
CONECT   18   16   26   54   55                                       
CONECT   19    5   56   57                                            
CONECT   20   15   58   59   60                                       
CONECT   21   29   33   30                                            
CONECT   22    5   10    9   61                                       
CONECT   23    6   24   62   63                                       
CONECT   24   23    9    8   64                                       
CONECT   25    7   10    8   65                                       
CONECT   26   18   13   27                                            
CONECT   27   26   15   66   67                                       
CONECT   28   13   13                                                 
CONECT   29   34   34    2   21                                       
CONECT   30   21   31   37   37                                       
CONECT   31   32   30   68   72                                       
CONECT   32   33   31   69   73                                       
CONECT   33   38   38   21   32                                       
CONECT   34   35   29   29   70                                       
CONECT   35   11   11   34   71                                       
CONECT   36    3    3                                                 
CONECT   37   30   30                                                 
CONECT   38   33   33                                                 
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
