COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -2.658  -3.412   0.132  1.00  0.00           O  
HETATM    2  P   UNL     1      -2.103  -1.962   0.559  1.00  0.00           P  
HETATM    3  O   UNL     1      -1.970  -1.899   2.032  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.132  -0.827   0.064  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.358  -0.827   0.622  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.354   0.185   0.217  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.626   0.188   0.794  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.551   1.136   0.412  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.222   2.084  -0.543  1.00  0.00           C  
HETATM   10 CL   UNL     1      -8.392   3.274  -1.020  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -5.962   2.086  -1.119  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.026   1.148  -0.740  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.644  -1.660   1.459  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.665  -1.716  -0.121  1.00  0.00           O  
HETATM   15  C   UNL     1       0.490  -2.495   0.199  1.00  0.00           C  
HETATM   16  C   UNL     1       1.682  -2.000  -0.623  1.00  0.00           C  
HETATM   17  C   UNL     1       2.922  -2.882  -0.358  1.00  0.00           C  
HETATM   18  O   UNL     1       3.073  -3.857  -1.393  1.00  0.00           O  
HETATM   19  C   UNL     1       4.102  -1.886  -0.373  1.00  0.00           C  
HETATM   20  O   UNL     1       5.022  -2.214  -1.416  1.00  0.00           O  
HETATM   21  C   UNL     1       3.436  -0.519  -0.645  1.00  0.00           C  
HETATM   22  O   UNL     1       2.071  -0.676  -0.197  1.00  0.00           O  
HETATM   23  N   UNL     1       4.106   0.536   0.120  1.00  0.00           N  
HETATM   24  C   UNL     1       5.227   1.229  -0.263  1.00  0.00           C  
HETATM   25  C   UNL     1       5.500   2.131   0.780  1.00  0.00           C  
HETATM   26  N   UNL     1       4.549   1.944   1.727  1.00  0.00           N  
HETATM   27  C   UNL     1       3.727   1.013   1.339  1.00  0.00           C  
HETATM   28  C   UNL     1       6.612   2.979   0.650  1.00  0.00           C  
HETATM   29  N   UNL     1       6.931   3.887   1.644  1.00  0.00           N  
HETATM   30  N   UNL     1       7.352   2.889  -0.451  1.00  0.00           N  
HETATM   31  C   UNL     1       7.055   2.026  -1.405  1.00  0.00           C  
HETATM   32  N   UNL     1       6.024   1.211  -1.326  1.00  0.00           N  
HETATM   33  H   UNL     1      -2.770  -3.525  -0.822  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.884  -0.551   1.538  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.535   1.139   0.857  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.711   2.828  -1.863  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.042   1.154  -1.187  1.00  0.00           H  
HETATM   38  H   UNL     1       0.714  -2.394   1.260  1.00  0.00           H  
HETATM   39  H   UNL     1       0.298  -3.542  -0.034  1.00  0.00           H  
HETATM   40  H   UNL     1       1.436  -2.000  -1.685  1.00  0.00           H  
HETATM   41  H   UNL     1       2.844  -3.368   0.614  1.00  0.00           H  
HETATM   42  H   UNL     1       3.836  -4.439  -1.276  1.00  0.00           H  
HETATM   43  H   UNL     1       4.608  -1.879   0.593  1.00  0.00           H  
HETATM   44  H   UNL     1       5.424  -3.089  -1.325  1.00  0.00           H  
HETATM   45  H   UNL     1       3.463  -0.289  -1.710  1.00  0.00           H  
HETATM   46  H   UNL     1       2.873   0.667   1.902  1.00  0.00           H  
HETATM   47  H   UNL     1       6.384   3.943   2.443  1.00  0.00           H  
HETATM   48  H   UNL     1       7.701   4.467   1.543  1.00  0.00           H  
HETATM   49  H   UNL     1       7.683   1.985  -2.283  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    1   14    3    3                                       
CONECT    2    4                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4   13   13    6                                       
CONECT    6    5   12   12    7                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   11   11   10                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   36                                       
CONECT   12    6    6   11   37                                       
CONECT   13    5    5                                                 
CONECT   14    2   15                                                 
CONECT   15   14   16   38   39                                       
CONECT   16   15   22   17   40                                       
CONECT   17   16   19   18   41                                       
CONECT   18   17   42                                                 
CONECT   19   17   20   21   43                                       
CONECT   20   19   44                                                 
CONECT   21   19   23   22   45                                       
CONECT   22   16   21                                                 
CONECT   23   21   24   27                                            
CONECT   24   23   32   32   25                                       
CONECT   25   24   28   28   26                                       
CONECT   26   25   27   27                                            
CONECT   27   23   26   26   46                                       
CONECT   28   25   25   30   29                                       
CONECT   29   28   47   48                                            
CONECT   30   28   31   31                                            
CONECT   31   30   30   32   49                                       
CONECT   32   24   24   31                                            
CONECT   33    1                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
