COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.505  -7.104  -2.708  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.674  -6.501  -2.826  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.927  -5.335  -2.269  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.998  -4.711  -1.552  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.737  -5.312  -1.396  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.515  -6.556  -2.010  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.294  -7.196  -1.892  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.990  -4.479  -0.634  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.694  -3.430  -0.319  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.940  -3.526  -0.862  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.020  -2.545  -0.733  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.934  -2.895   0.470  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.953  -3.819   0.084  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.543  -1.517   0.826  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.841  -1.376   0.246  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.564  -0.500   0.208  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.489  -1.247  -0.390  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.015   0.423   1.298  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.200   1.433   0.701  1.00  0.00           O  
HETATM   20  O   UNL     1     -10.405  -0.808   0.119  1.00  0.00           O  
HETATM   21  P   UNL     1      -9.152  -1.014   1.108  1.00  0.00           P  
HETATM   22  O   UNL     1      -9.469  -2.214   2.134  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.913   0.234   1.868  1.00  0.00           O  
HETATM   24  P   UNL     1      -3.458   2.579   1.554  1.00  0.00           P  
HETATM   25  O   UNL     1      -4.558   3.528   2.248  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.619   1.951   2.599  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.529   3.460   0.578  1.00  0.00           O  
HETATM   28  P   UNL     1      -1.271   4.437   0.811  1.00  0.00           P  
HETATM   29  O   UNL     1      -0.318   3.799   1.747  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.782   5.831   1.433  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.538   4.713  -0.595  1.00  0.00           O  
HETATM   32  C   UNL     1       0.676   5.459  -0.707  1.00  0.00           C  
HETATM   33  C   UNL     1       1.097   5.532  -2.176  1.00  0.00           C  
HETATM   34  C   UNL     1       1.317   4.116  -2.714  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.002   6.220  -2.988  1.00  0.00           C  
HETATM   36  C   UNL     1       2.396   6.331  -2.296  1.00  0.00           C  
HETATM   37  O   UNL     1       2.157   7.688  -1.916  1.00  0.00           O  
HETATM   38  C   UNL     1       3.440   5.732  -1.388  1.00  0.00           C  
HETATM   39  O   UNL     1       3.818   6.344  -0.412  1.00  0.00           O  
HETATM   40  N   UNL     1       3.952   4.516  -1.662  1.00  0.00           N  
HETATM   41  C   UNL     1       4.894   3.891  -0.730  1.00  0.00           C  
HETATM   42  C   UNL     1       5.320   2.526  -1.273  1.00  0.00           C  
HETATM   43  C   UNL     1       6.289   1.883  -0.314  1.00  0.00           C  
HETATM   44  O   UNL     1       6.607   2.460   0.704  1.00  0.00           O  
HETATM   45  N   UNL     1       6.801   0.667  -0.588  1.00  0.00           N  
HETATM   46  C   UNL     1       7.743   0.043   0.345  1.00  0.00           C  
HETATM   47  C   UNL     1       8.169  -1.323  -0.199  1.00  0.00           C  
HETATM   48  S   UNL     1       9.332  -2.094   0.953  1.00  0.00           S  
HETATM   49  C   UNL     1       9.638  -3.563   0.128  1.00  0.00           C  
HETATM   50  O   UNL     1       9.094  -3.787  -0.934  1.00  0.00           O  
HETATM   51  C   UNL     1      10.570  -4.562   0.710  1.00  0.00           C  
HETATM   52  C   UNL     1      10.839  -5.854  -0.016  1.00  0.00           C  
HETATM   53  N   UNL     1      11.231  -4.289   2.000  1.00  0.00           N1+
HETATM   54  O   UNL     1      12.120  -5.242   2.556  1.00  0.00           O1-
HETATM   55  O   UNL     1      10.978  -3.075   2.683  1.00  0.00           O1-
HETATM   56  H   UNL     1      -5.451  -6.981  -3.402  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.579  -6.786  -1.380  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.153  -8.055  -2.320  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.342  -2.606   0.283  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.601  -2.492  -1.653  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.349  -3.288   1.301  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.615  -4.667  -0.233  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.591  -1.391   1.907  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.073   0.088  -0.556  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.843   0.891   1.829  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.416  -0.160   1.999  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.231  -0.587   0.571  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.636  -3.064   1.704  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.144   3.974   1.622  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.411   6.305   0.872  1.00  0.00           H  
HETATM   71  H   UNL     1       0.519   6.468  -0.324  1.00  0.00           H  
HETATM   72  H   UNL     1       1.459   4.969  -0.128  1.00  0.00           H  
HETATM   73  H   UNL     1       0.367   3.583  -2.734  1.00  0.00           H  
HETATM   74  H   UNL     1       1.725   4.170  -3.723  1.00  0.00           H  
HETATM   75  H   UNL     1       2.017   3.587  -2.067  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.103   7.254  -2.659  1.00  0.00           H  
HETATM   77  H   UNL     1       0.261   6.199  -4.046  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.947   5.697  -2.838  1.00  0.00           H  
HETATM   79  H   UNL     1       2.749   6.299  -3.326  1.00  0.00           H  
HETATM   80  H   UNL     1       1.840   7.792  -1.008  1.00  0.00           H  
HETATM   81  H   UNL     1       3.698   4.054  -2.476  1.00  0.00           H  
HETATM   82  H   UNL     1       5.772   4.528  -0.618  1.00  0.00           H  
HETATM   83  H   UNL     1       4.413   3.762   0.240  1.00  0.00           H  
HETATM   84  H   UNL     1       4.442   1.889  -1.384  1.00  0.00           H  
HETATM   85  H   UNL     1       5.801   2.655  -2.243  1.00  0.00           H  
HETATM   86  H   UNL     1       6.547   0.206  -1.402  1.00  0.00           H  
HETATM   87  H   UNL     1       8.620   0.679   0.456  1.00  0.00           H  
HETATM   88  H   UNL     1       7.262  -0.086   1.315  1.00  0.00           H  
HETATM   89  H   UNL     1       7.291  -1.959  -0.310  1.00  0.00           H  
HETATM   90  H   UNL     1       8.650  -1.194  -1.168  1.00  0.00           H  
HETATM   91  H   UNL     1      11.688  -5.724  -0.687  1.00  0.00           H  
HETATM   92  H   UNL     1      11.065  -6.637   0.707  1.00  0.00           H  
HETATM   93  H   UNL     1       9.959  -6.136  -0.595  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    3    1    1   56                                       
CONECT    3    4    4    2                                            
CONECT    4   10    3    3    5                                       
CONECT    5    4    8    6    6                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6   57   58                                            
CONECT    8    9    9    5                                            
CONECT    9   10    8    8   59                                       
CONECT   10   11    9    4                                            
CONECT   11   12   17   10   60                                       
CONECT   12   14   13   11   61                                       
CONECT   13   12   62                                                 
CONECT   14   15   16   12   63                                       
CONECT   15   21   14                                                 
CONECT   16   18   14   17   64                                       
CONECT   17   16   11                                                 
CONECT   18   16   19   65   66                                       
CONECT   19   18   24                                                 
CONECT   20   21   67                                                 
CONECT   21   23   23   20   22                                       
CONECT   21   15                                                      
CONECT   22   21   68                                                 
CONECT   23   21   21                                                 
CONECT   24   26   26   25   19                                       
CONECT   24   27                                                      
CONECT   25   24   69                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   29   29   30   27                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   70                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   71   72                                       
CONECT   33   32   36   34   35                                       
CONECT   34   33   73   74   75                                       
CONECT   35   33   76   77   78                                       
CONECT   36   33   37   38   79                                       
CONECT   37   36   80                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   81                                            
CONECT   41   40   42   82   83                                       
CONECT   42   41   43   84   85                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   86                                            
CONECT   46   45   47   87   88                                       
CONECT   47   46   48   89   90                                       
CONECT   48   47   49                                                 
CONECT   49   50   50   48   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   53   53   52                                       
CONECT   52   51   91   92   93                                       
CONECT   53   51   51   54   55                                       
CONECT   54   53                                                      
CONECT   55   53                                                      
CONECT   56    2                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   25                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   47                                                      
CONECT   91   52                                                      
CONECT   92   52                                                      
CONECT   93   52                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
