COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.234   1.996  -0.023  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.670   1.614   1.158  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.324   1.898   2.331  1.00  0.00           N  
HETATM    4  N   UNL     1      -6.519   0.982   1.206  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.847   0.684   0.088  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.374   1.049  -1.156  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.614   1.730  -1.193  1.00  0.00           C  
HETATM    8  O   UNL     1      -8.110   2.067  -2.254  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.499   0.630  -2.102  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.491   0.043  -1.527  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.661   0.052  -0.173  1.00  0.00           N  
HETATM   12  P   UNL     1       1.824  -1.542  -0.748  1.00  0.00           P  
HETATM   13  P   UNL     1       4.458  -0.214  -0.461  1.00  0.00           P  
HETATM   14  P   UNL     1       6.769   1.567   0.131  1.00  0.00           P  
HETATM   15  C   UNL     1      -3.743  -0.512   0.820  1.00  0.00           C  
HETATM   16  O   UNL     1       1.553  -1.424  -2.331  1.00  0.00           O  
HETATM   17  O   UNL     1       4.834  -0.182  -2.027  1.00  0.00           O  
HETATM   18  O   UNL     1       7.145   1.599  -1.435  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.184  -1.942   1.189  1.00  0.00           C  
HETATM   20  O   UNL     1       2.386  -2.877  -0.442  1.00  0.00           O  
HETATM   21  O   UNL     1       5.160  -1.342   0.191  1.00  0.00           O  
HETATM   22  O   UNL     1       7.220   2.950   0.819  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.959  -2.819   0.835  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.741  -3.818   1.834  1.00  0.00           O  
HETATM   25  O   UNL     1       2.868  -0.403  -0.296  1.00  0.00           O  
HETATM   26  C   UNL     1       4.968   1.352   0.319  1.00  0.00           C  
HETATM   27 CL   UNL     1       4.547   1.316   2.071  1.00  0.00          Cl  
HETATM   28  O   UNL     1       7.471   0.439   0.783  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.807  -1.782   0.829  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.420  -0.602   0.266  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.654  -2.263  -0.054  1.00  0.00           C  
HETATM   32  O   UNL     1       0.439  -1.348   0.049  1.00  0.00           O  
HETATM   33  H   UNL     1      -9.087   2.458  -0.023  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.174   2.364   2.312  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.935   1.633   3.179  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.645  -0.387  -2.043  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.733   0.114   1.712  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.407  -2.010   2.254  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.050  -2.239   0.597  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.078  -3.275  -0.148  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.476  -4.437   1.938  1.00  0.00           H  
HETATM   42  H   UNL     1       4.451   2.183  -0.162  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.460  -1.588   1.844  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.333  -3.251   0.275  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.987  -2.316  -1.090  1.00  0.00           H  
HETATM   46  H   UNL     1       1.183  -0.573  -2.604  1.00  0.00           H  
HETATM   47  H   UNL     1       4.409   0.534  -2.519  1.00  0.00           H  
HETATM   48  H   UNL     1       6.720   2.315  -1.927  1.00  0.00           H  
HETATM   49  H   UNL     1       8.168   3.130   0.757  1.00  0.00           H  
CONECT    1    2    7   33                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2   34   35                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    9                                       
CONECT    7    1    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   36                                       
CONECT   11    5   10   15                                            
CONECT   12   16   20   20   25                                       
CONECT   12   32                                                      
CONECT   13   17   21   21   25                                       
CONECT   13   26                                                      
CONECT   14   18   22   26   28                                       
CONECT   14   28                                                      
CONECT   15   11   19   30   37                                       
CONECT   16   12   46                                                 
CONECT   17   13   47                                                 
CONECT   18   14   48                                                 
CONECT   19   15   23   38   39                                       
CONECT   20   12   12                                                 
CONECT   21   13   13                                                 
CONECT   22   14   49                                                 
CONECT   23   19   24   29   40                                       
CONECT   24   23   41                                                 
CONECT   25   12   13                                                 
CONECT   26   13   14   27   42                                       
CONECT   27   26                                                      
CONECT   28   14   14                                                 
CONECT   29   23   30   31   43                                       
CONECT   30   15   29                                                 
CONECT   31   29   32   44   45                                       
CONECT   32   12   31                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36   10                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   29                                                      
CONECT   44   31                                                      
CONECT   45   31                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   22                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
