COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.970   1.275   0.817  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.053   2.794   0.982  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.149   0.955  -0.358  1.00  0.00           N  
HETATM    4  C   UNL     1       1.273   0.865   0.002  1.00  0.00           C  
HETATM    5  P   UNL     1       2.156   2.323  -0.645  1.00  0.00           P  
HETATM    6  O   UNL     1       2.148   2.288  -2.125  1.00  0.00           O  
HETATM    7  O   UNL     1       1.425   3.663  -0.136  1.00  0.00           O  
HETATM    8  O   UNL     1       3.677   2.307  -0.117  1.00  0.00           O  
HETATM    9  C   UNL     1       1.864  -0.386  -0.594  1.00  0.00           C  
HETATM   10  C   UNL     1       3.103  -0.865  -0.140  1.00  0.00           C  
HETATM   11  N   UNL     1       3.778  -0.224   0.825  1.00  0.00           N  
HETATM   12  C   UNL     1       4.937  -0.693   1.233  1.00  0.00           C  
HETATM   13  O   UNL     1       5.619  -0.045   2.209  1.00  0.00           O  
HETATM   14  C   UNL     1       5.476  -1.867   0.664  1.00  0.00           C  
HETATM   15  O   UNL     1       6.672  -2.338   1.096  1.00  0.00           O  
HETATM   16  N   UNL     1       4.825  -2.508  -0.283  1.00  0.00           N  
HETATM   17  C   UNL     1       3.643  -2.043  -0.711  1.00  0.00           C  
HETATM   18  C   UNL     1       2.929  -2.708  -1.721  1.00  0.00           C  
HETATM   19  C   UNL     1       1.729  -2.215  -2.137  1.00  0.00           C  
HETATM   20  C   UNL     1       1.196  -1.060  -1.571  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.971   0.789  -0.607  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.242   0.274  -0.779  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.901  -0.312   0.286  1.00  0.00           C  
HETATM   24 BR   UNL     1      -6.639  -1.018   0.051  1.00  0.00          Br  
HETATM   25  C   UNL     1      -4.287  -0.383   1.524  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.016   0.132   1.696  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.356   0.714   0.629  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.518   0.837   1.707  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.074   3.183   1.261  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.368   3.245   0.041  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.776   3.036   1.761  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.294   1.628  -1.095  1.00  0.00           H  
HETATM   33  H   UNL     1       1.371   0.833   1.087  1.00  0.00           H  
HETATM   34  H   UNL     1       0.540   3.793  -0.504  1.00  0.00           H  
HETATM   35  H   UNL     1       4.179   1.526  -0.387  1.00  0.00           H  
HETATM   36  H   UNL     1       3.329  -3.607  -2.166  1.00  0.00           H  
HETATM   37  H   UNL     1       1.183  -2.729  -2.914  1.00  0.00           H  
HETATM   38  H   UNL     1       0.241  -0.690  -1.916  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.456   1.247  -1.439  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.720   0.330  -1.746  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.801  -0.841   2.356  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.537   0.077   2.662  1.00  0.00           H  
HETATM   43  H   UNL     1       5.405  -0.343   3.104  1.00  0.00           H  
HETATM   44  H   UNL     1       6.606  -2.960   1.833  1.00  0.00           H  
CONECT    1    3   27    2   28                                       
CONECT    2    1   29   30   31                                       
CONECT    3    4    1   32                                            
CONECT    4    5    3    9   33                                       
CONECT    5    6    6    7    8                                       
CONECT    5    4                                                      
CONECT    6    5    5                                                 
CONECT    7    5   34                                                 
CONECT    8    5   35                                                 
CONECT    9    4   10   10   20                                       
CONECT   10   11    9    9   17                                       
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   14                                       
CONECT   13   12   43                                                 
CONECT   14   12   15   16   16                                       
CONECT   15   14   44                                                 
CONECT   16   14   14   17                                            
CONECT   17   10   16   18   18                                       
CONECT   18   17   17   19   36                                       
CONECT   19   20   20   18   37                                       
CONECT   20    9   19   19   38                                       
CONECT   21   27   27   22   39                                       
CONECT   22   23   23   21   40                                       
CONECT   23   25   24   22   22                                       
CONECT   24   23                                                      
CONECT   25   26   26   23   41                                       
CONECT   26   25   25   27   42                                       
CONECT   27   26    1   21   21                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
