COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.077   3.307  -0.389  1.00  0.00           O  
HETATM    2  C   UNL     1       0.994   2.569  -0.097  1.00  0.00           C  
HETATM    3  N   UNL     1       2.077   2.891   0.629  1.00  0.00           N  
HETATM    4  C   UNL     1       2.948   1.812   0.787  1.00  0.00           C  
HETATM    5  C   UNL     1       4.166   1.714   1.458  1.00  0.00           C  
HETATM    6  C   UNL     1       4.853   0.518   1.474  1.00  0.00           C  
HETATM    7  C   UNL     1       4.342  -0.592   0.827  1.00  0.00           C  
HETATM    8  C   UNL     1       5.098  -1.895   0.850  1.00  0.00           C  
HETATM    9  C   UNL     1       3.132  -0.503   0.159  1.00  0.00           C  
HETATM   10 BR   UNL     1       2.427  -2.016  -0.729  1.00  0.00          Br  
HETATM   11  C   UNL     1       2.444   0.690   0.141  1.00  0.00           C  
HETATM   12  C   UNL     1       1.129   1.109  -0.475  1.00  0.00           C  
HETATM   13  O   UNL     1       1.175   0.962  -1.896  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.025   0.294   0.112  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.331   0.796  -0.448  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.338   1.715  -1.240  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.595   0.172  -0.036  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.810   0.636  -0.556  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.995   0.047  -0.166  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.290   0.304  -0.515  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.093  -0.330   0.498  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.266  -1.413   0.964  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.982  -1.012   0.746  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.776  -1.472   1.261  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.589  -0.892   0.873  1.00  0.00           C  
HETATM   26  H   UNL     1       2.237   3.773   1.001  1.00  0.00           H  
HETATM   27  H   UNL     1       4.572   2.576   1.965  1.00  0.00           H  
HETATM   28  H   UNL     1       5.797   0.449   1.995  1.00  0.00           H  
HETATM   29  H   UNL     1       4.786  -2.482   1.714  1.00  0.00           H  
HETATM   30  H   UNL     1       4.889  -2.453  -0.063  1.00  0.00           H  
HETATM   31  H   UNL     1       6.168  -1.693   0.915  1.00  0.00           H  
HETATM   32  H   UNL     1       0.380   1.274  -2.349  1.00  0.00           H  
HETATM   33  H   UNL     1       0.102  -0.757  -0.148  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.031   0.401   1.197  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.819   1.454  -1.261  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.654  -1.256   1.272  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.305   0.366   1.309  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.019  -0.713   0.069  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.770  -2.290   1.966  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   26                                            
CONECT    4    3    5   11   11                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   29   30   31                                       
CONECT    9    7    7   10   11                                       
CONECT   10    9                                                      
CONECT   11    4    4    9   12                                       
CONECT   12    2   11   13   14                                       
CONECT   13   12   32                                                 
CONECT   14   12   15   33   34                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   25   25                                       
CONECT   18   17   19   19   35                                       
CONECT   19   18   18   20   23                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   37   38                                       
CONECT   22   21   23                                                 
CONECT   23   19   22   24   24                                       
CONECT   24   23   23   25   39                                       
CONECT   25   17   17   24   36                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   18                                                      
CONECT   36   25                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
