COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.173   5.579  -1.109  1.00  0.00           O  
HETATM    2  P   UNL     1      -0.400   4.233  -0.255  1.00  0.00           P  
HETATM    3  O   UNL     1      -1.895   4.221   0.342  1.00  0.00           O  
HETATM    4  O   UNL     1       0.576   4.185   0.857  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.192   2.952  -1.207  1.00  0.00           O  
HETATM    6  P   UNL     1      -0.034   1.674  -0.241  1.00  0.00           P  
HETATM    7  O   UNL     1       1.429   1.689   0.433  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.065   1.727   0.819  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.215   0.325  -1.101  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.183  -0.762  -0.174  1.00  0.00           C  
HETATM   11  C   UNL     1       0.978  -1.696  -0.524  1.00  0.00           C  
HETATM   12  N   UNL     1       2.247  -0.988  -0.336  1.00  0.00           N  
HETATM   13  C   UNL     1       3.412  -1.618  -0.586  1.00  0.00           C  
HETATM   14  O   UNL     1       3.410  -2.769  -0.966  1.00  0.00           O  
HETATM   15  C   UNL     1       4.718  -0.890  -0.393  1.00  0.00           C  
HETATM   16  C   UNL     1       5.761  -1.376  -1.425  1.00  0.00           C  
HETATM   17  C   UNL     1       7.071  -1.419  -0.600  1.00  0.00           C  
HETATM   18  C   UNL     1       8.067  -2.402  -1.219  1.00  0.00           C  
HETATM   19  C   UNL     1       7.689  -0.023  -0.494  1.00  0.00           C  
HETATM   20  N   UNL     1       6.623  -1.896   0.733  1.00  0.00           N  
HETATM   21  O   UNL     1       7.564  -1.362   1.717  1.00  0.00           O  
HETATM   22  C   UNL     1       5.324  -1.231   0.981  1.00  0.00           C  
HETATM   23  C   UNL     1       5.545   0.052   1.786  1.00  0.00           C  
HETATM   24  C   UNL     1       4.388  -2.170   1.745  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.500  -1.536  -0.250  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.612  -0.643   0.085  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.892  -1.115   0.083  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.957  -0.212   0.260  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.671   1.230   0.437  1.00  0.00           N1+
HETATM   30  O   UNL     1      -5.382   1.942   1.286  1.00  0.00           O1-
HETATM   31  O   UNL     1      -3.705   1.799  -0.253  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.238  -0.642   0.258  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.511  -2.083   0.080  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.736  -2.535   0.078  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.929  -3.634  -0.059  1.00  0.00           N1+
HETATM   36  N   UNL     1      -8.122  -4.733  -0.195  1.00  0.00           N1-
HETATM   37  C   UNL     1      -5.366  -3.000  -0.096  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.113  -2.496  -0.089  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.307   6.321  -0.502  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.498   4.254  -0.413  1.00  0.00           H  
HETATM   41  H   UNL     1       2.070   1.653  -0.291  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.046  -0.376   0.836  1.00  0.00           H  
HETATM   43  H   UNL     1       0.889  -2.012  -1.564  1.00  0.00           H  
HETATM   44  H   UNL     1       0.949  -2.570   0.126  1.00  0.00           H  
HETATM   45  H   UNL     1       2.248  -0.067  -0.032  1.00  0.00           H  
HETATM   46  H   UNL     1       4.568   0.186  -0.484  1.00  0.00           H  
HETATM   47  H   UNL     1       5.847  -0.667  -2.249  1.00  0.00           H  
HETATM   48  H   UNL     1       5.505  -2.369  -1.795  1.00  0.00           H  
HETATM   49  H   UNL     1       8.964  -2.447  -0.602  1.00  0.00           H  
HETATM   50  H   UNL     1       7.614  -3.391  -1.275  1.00  0.00           H  
HETATM   51  H   UNL     1       8.333  -2.067  -2.222  1.00  0.00           H  
HETATM   52  H   UNL     1       8.119   0.258  -1.455  1.00  0.00           H  
HETATM   53  H   UNL     1       6.917   0.696  -0.217  1.00  0.00           H  
HETATM   54  H   UNL     1       8.470  -0.028   0.266  1.00  0.00           H  
HETATM   55  H   UNL     1       8.413  -1.795   1.556  1.00  0.00           H  
HETATM   56  H   UNL     1       4.584   0.521   1.994  1.00  0.00           H  
HETATM   57  H   UNL     1       6.042  -0.190   2.725  1.00  0.00           H  
HETATM   58  H   UNL     1       6.168   0.738   1.212  1.00  0.00           H  
HETATM   59  H   UNL     1       4.314  -3.119   1.215  1.00  0.00           H  
HETATM   60  H   UNL     1       4.783  -2.342   2.746  1.00  0.00           H  
HETATM   61  H   UNL     1       3.399  -1.717   1.818  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.637  -1.923  -1.260  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.476  -2.366   0.456  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.438   0.285   0.308  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.051   0.057   0.389  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.529  -4.060  -0.229  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.271  -3.159  -0.217  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    1    3    4    4                                       
CONECT    2    5                                                      
CONECT    3    2   40                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    8    8                                       
CONECT    6    9                                                      
CONECT    7    6   41                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   25   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   45                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   22   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   16   18   19   20                                       
CONECT   18   17   49   50   51                                       
CONECT   19   17   52   53   54                                       
CONECT   20   17   21   22                                            
CONECT   21   20   55                                                 
CONECT   22   15   20   23   24                                       
CONECT   23   22   56   57   58                                       
CONECT   24   22   59   60   61                                       
CONECT   25   10   26   62   63                                       
CONECT   26   25   27   64                                            
CONECT   27   26   28   28   38                                       
CONECT   28   27   27   29   32                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29                                                      
CONECT   31   29   29                                                 
CONECT   32   28   33   33   65                                       
CONECT   33   32   32   34   37                                       
CONECT   34   33   35   35                                            
CONECT   35   34   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   33   38   38   66                                       
CONECT   38   27   37   37   67                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   32                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
