COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.276  -2.602   0.466  1.00  0.00           N  
HETATM    2  N   UNL     1      -7.663   0.578   0.444  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.840  -0.459   0.323  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.297  -1.738   0.683  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.247  -1.950   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.614  -1.863   1.158  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.889   0.414   0.895  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.512  -0.904  -0.548  1.00  0.00           C  
HETATM    9  C   UNL     1       2.059   1.735  -0.188  1.00  0.00           C  
HETATM   10  C   UNL     1       6.252  -0.321   0.355  1.00  0.00           C  
HETATM   11  C   UNL     1       5.424   1.430   1.406  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.078   4.956  -0.436  1.00  0.00           O1-
HETATM   13  P   UNL     1      -0.884   3.357  -0.514  1.00  0.00           P  
HETATM   14  O   UNL     1       0.124   2.888   0.652  1.00  0.00           O  
HETATM   15  S   UNL     1      -0.172   2.902  -2.176  1.00  0.00           S  
HETATM   16  O   UNL     1      -2.309   2.641  -0.327  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.495   1.304   0.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.338   0.298  -1.012  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.638  -0.137  -1.409  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.647   0.432  -0.577  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.545  -0.624  -0.099  1.00  0.00           N  
HETATM   22  N   UNL     1      -9.362  -0.768   1.245  1.00  0.00           N  
HETATM   23  N   UNL     1      -9.119  -3.097   1.528  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.947   1.103   0.618  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.978   0.259   1.732  1.00  0.00           F  
HETATM   26  O   UNL     1      -0.266  -0.904  -1.242  1.00  0.00           O  
HETATM   27  P   UNL     1       0.948  -1.916  -0.952  1.00  0.00           P  
HETATM   28  S   UNL     1       0.940  -3.277  -2.227  1.00  0.00           S  
HETATM   29  O   UNL     1       0.793  -2.559   0.515  1.00  0.00           O1-
HETATM   30  O   UNL     1       2.341  -1.117  -1.040  1.00  0.00           O  
HETATM   31  C   UNL     1       2.976  -0.452   0.045  1.00  0.00           C  
HETATM   32  C   UNL     1       4.035   0.535  -0.499  1.00  0.00           C  
HETATM   33  O   UNL     1       3.444   1.842  -0.542  1.00  0.00           O  
HETATM   34  C   UNL     1       1.985   0.507   0.750  1.00  0.00           C  
HETATM   35  F   UNL     1       0.701  -0.015   0.802  1.00  0.00           F  
HETATM   36  C   UNL     1       1.549   2.981   0.521  1.00  0.00           C  
HETATM   37  N   UNL     1       5.196   0.548   0.390  1.00  0.00           N  
HETATM   38  N   UNL     1       6.553   1.149   1.989  1.00  0.00           N  
HETATM   39  C   UNL     1       7.114   0.074   1.384  1.00  0.00           C  
HETATM   40  C   UNL     1       8.309  -0.657   1.585  1.00  0.00           C  
HETATM   41  O   UNL     1       9.089  -0.348   2.470  1.00  0.00           O  
HETATM   42  N   UNL     1       8.563  -1.706   0.772  1.00  0.00           N  
HETATM   43  C   UNL     1       7.684  -2.042  -0.214  1.00  0.00           C  
HETATM   44  N   UNL     1       7.971  -3.110  -1.027  1.00  0.00           N  
HETATM   45  N   UNL     1       6.573  -1.369  -0.413  1.00  0.00           N  
HETATM   46  H   UNL     1      -4.297  -2.394  -0.251  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.531   1.277   0.981  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.337  -0.834   0.525  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.053  -1.825  -0.757  1.00  0.00           H  
HETATM   50  H   UNL     1       1.471   1.537  -1.082  1.00  0.00           H  
HETATM   51  H   UNL     1       4.766   2.240   1.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.798   1.082   0.945  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.829   0.771  -1.855  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.211   1.177  -1.137  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.562  -3.889   1.460  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.029  -3.171   1.855  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.410   2.061   0.843  1.00  0.00           H  
HETATM   58  H   UNL     1       3.418  -1.143   0.747  1.00  0.00           H  
HETATM   59  H   UNL     1       4.333   0.233  -1.498  1.00  0.00           H  
HETATM   60  H   UNL     1       2.351   0.765   1.742  1.00  0.00           H  
HETATM   61  H   UNL     1       2.006   3.071   1.504  1.00  0.00           H  
HETATM   62  H   UNL     1       1.798   3.867  -0.069  1.00  0.00           H  
HETATM   63  H   UNL     1       9.376  -2.222   0.891  1.00  0.00           H  
HETATM   64  H   UNL     1       7.358  -3.358  -1.736  1.00  0.00           H  
HETATM   65  H   UNL     1       8.787  -3.617  -0.892  1.00  0.00           H  
CONECT    1    5    5    4                                            
CONECT    2    3    7    7                                            
CONECT    3   21    4    4    2                                       
CONECT    4    1    3    3    6                                       
CONECT    5    1    1   21   46                                       
CONECT    6    4   23   22   22                                       
CONECT    7    2    2   22   47                                       
CONECT    8   26   18   48   49                                       
CONECT    9   34   33   36   50                                       
CONECT   10   45   39   39   37                                       
CONECT   11   37   38   38   51                                       
CONECT   12   13                                                      
CONECT   13   16   14   12   15                                       
CONECT   13   15                                                      
CONECT   14   13   36                                                 
CONECT   15   13   13                                                 
CONECT   16   17   13                                                 
CONECT   17   18   24   16   52                                       
CONECT   18    8   19   17   53                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   24   54                                       
CONECT   21    5   20    3                                            
CONECT   22    6    6    7                                            
CONECT   23    6   55   56                                            
CONECT   24   20   17   25   57                                       
CONECT   25   24                                                      
CONECT   26   27    8                                                 
CONECT   27   28   28   29   26                                       
CONECT   27   30                                                      
CONECT   28   27   27                                                 
CONECT   29   27                                                      
CONECT   30   27   31                                                 
CONECT   31   30   34   32   58                                       
CONECT   32   31   37   33   59                                       
CONECT   33   32    9                                                 
CONECT   34   35   31    9   60                                       
CONECT   35   34                                                      
CONECT   36    9   14   61   62                                       
CONECT   37   10   32   11                                            
CONECT   38   39   11   11                                            
CONECT   39   10   10   40   38                                       
CONECT   40   42   41   41   39                                       
CONECT   41   40   40                                                 
CONECT   42   43   40   63                                            
CONECT   43   44   45   45   42                                       
CONECT   44   43   64   65                                            
CONECT   45   43   43   10                                            
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   42                                                      
CONECT   64   44                                                      
CONECT   65   44                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
