COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -4.892  -4.361   1.396  1.00  0.00           P  
HETATM    2  O   UNL     1      -3.891  -5.292   1.964  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.740  -3.691   2.590  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.015   0.799  -0.550  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.892   0.882   0.514  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.827   1.723   0.067  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.428  -0.591   0.612  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.233  -0.812  -0.207  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.617  -1.400   0.059  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.659  -0.462  -0.267  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.115  -2.384   1.119  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.140  -3.209   0.560  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.960   1.907  -0.392  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.108   1.890   0.342  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.704   3.044   0.262  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.123   5.201  -0.961  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.214   5.959  -0.572  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.978   3.873  -0.526  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.847   3.155  -0.950  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.961   3.754  -1.739  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.136   5.003  -2.118  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.181   5.718  -1.742  1.00  0.00           N  
HETATM   23  C   UNL     1       0.992  -0.643   0.329  1.00  0.00           C  
HETATM   24  O   UNL     1       1.105  -0.308   1.489  1.00  0.00           O  
HETATM   25  C   UNL     1       2.220  -0.869  -0.514  1.00  0.00           C  
HETATM   26  N   UNL     1       3.418  -0.623   0.293  1.00  0.00           N  
HETATM   27  C   UNL     1       2.234  -2.313  -1.019  1.00  0.00           C  
HETATM   28  C   UNL     1       3.395  -2.506  -1.960  1.00  0.00           C  
HETATM   29  C   UNL     1       3.234  -2.273  -3.313  1.00  0.00           C  
HETATM   30  C   UNL     1       4.300  -2.445  -4.175  1.00  0.00           C  
HETATM   31  C   UNL     1       5.528  -2.849  -3.685  1.00  0.00           C  
HETATM   32  C   UNL     1       5.689  -3.081  -2.332  1.00  0.00           C  
HETATM   33  C   UNL     1       4.623  -2.910  -1.469  1.00  0.00           C  
HETATM   34  C   UNL     1       4.572  -0.266  -0.306  1.00  0.00           C  
HETATM   35  O   UNL     1       4.619  -0.150  -1.512  1.00  0.00           O  
HETATM   36  C   UNL     1       5.804  -0.013   0.524  1.00  0.00           C  
HETATM   37  N   UNL     1       6.998  -0.116  -0.326  1.00  0.00           N  
HETATM   38  C   UNL     1       5.731   1.390   1.131  1.00  0.00           C  
HETATM   39  C   UNL     1       6.918   1.601   2.072  1.00  0.00           C  
HETATM   40  S   UNL     1       6.831   3.264   2.792  1.00  0.00           S  
HETATM   41  C   UNL     1       8.297   3.324   3.859  1.00  0.00           C  
HETATM   42  H   UNL     1      -6.416  -3.068   2.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.592   0.797  -1.555  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.286   1.231   1.469  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.091   2.639  -0.096  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.234  -0.860   1.651  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.324  -1.079  -1.135  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.314  -1.940  -0.837  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.287  -3.010   1.452  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.516  -1.832   1.969  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.470   1.043   0.907  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.298   6.878  -0.870  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.896   5.570  -0.001  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.397   5.460  -2.759  1.00  0.00           H  
HETATM   55  H   UNL     1       2.209  -0.187  -1.364  1.00  0.00           H  
HETATM   56  H   UNL     1       3.381  -0.716   1.258  1.00  0.00           H  
HETATM   57  H   UNL     1       2.335  -2.993  -0.172  1.00  0.00           H  
HETATM   58  H   UNL     1       1.302  -2.523  -1.544  1.00  0.00           H  
HETATM   59  H   UNL     1       2.275  -1.957  -3.696  1.00  0.00           H  
HETATM   60  H   UNL     1       4.175  -2.263  -5.233  1.00  0.00           H  
HETATM   61  H   UNL     1       6.361  -2.984  -4.359  1.00  0.00           H  
HETATM   62  H   UNL     1       6.648  -3.397  -1.948  1.00  0.00           H  
HETATM   63  H   UNL     1       4.749  -3.088  -0.411  1.00  0.00           H  
HETATM   64  H   UNL     1       5.863  -0.752   1.324  1.00  0.00           H  
HETATM   65  H   UNL     1       7.104  -1.053  -0.688  1.00  0.00           H  
HETATM   66  H   UNL     1       6.967   0.559  -1.075  1.00  0.00           H  
HETATM   67  H   UNL     1       5.762   2.132   0.334  1.00  0.00           H  
HETATM   68  H   UNL     1       4.801   1.495   1.690  1.00  0.00           H  
HETATM   69  H   UNL     1       6.887   0.858   2.869  1.00  0.00           H  
HETATM   70  H   UNL     1       7.848   1.495   1.514  1.00  0.00           H  
HETATM   71  H   UNL     1       8.348   4.295   4.352  1.00  0.00           H  
HETATM   72  H   UNL     1       8.231   2.538   4.612  1.00  0.00           H  
HETATM   73  H   UNL     1       9.192   3.175   3.256  1.00  0.00           H  
HETATM   74  O   UNL     1      -5.886  -5.169   0.421  1.00  0.00           O  
HETATM   75  H   UNL     1      -6.373  -5.881   0.859  1.00  0.00           H  
CONECT    1   12    2    2    3                                       
CONECT    1   74                                                      
CONECT    2    1    1                                                 
CONECT    3    1   42                                                 
CONECT    4    5   10   13   43                                       
CONECT    5    7    6    4   44                                       
CONECT    6    5   45                                                 
CONECT    7    8    9    5   46                                       
CONECT    8   23    7   47                                            
CONECT    9    7   11   10   48                                       
CONECT   10    9    4                                                 
CONECT   11   12    9   49   50                                       
CONECT   12   11    1                                                 
CONECT   13   14    4   19                                            
CONECT   14   15   15   13   51                                       
CONECT   15   14   14   18                                            
CONECT   16   18   17   22   22                                       
CONECT   17   16   52   53                                            
CONECT   18   15   19   19   16                                       
CONECT   19   13   18   18   20                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   22   54                                       
CONECT   22   16   16   21                                            
CONECT   23   25   24   24    8                                       
CONECT   24   23   23                                                 
CONECT   25   26   27   23   55                                       
CONECT   26   34   25   56                                            
CONECT   27   28   25   57   58                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   59                                       
CONECT   30   31   31   29   60                                       
CONECT   31   30   30   32   61                                       
CONECT   32   31   33   33   62                                       
CONECT   33   32   32   28   63                                       
CONECT   34   36   26   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   38   37   34   64                                       
CONECT   37   36   65   66                                            
CONECT   38   39   36   67   68                                       
CONECT   39   40   38   69   70                                       
CONECT   40   41   39                                                 
CONECT   41   40   71   72   73                                       
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74    1   75                                                 
CONECT   75   74                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
