COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.993   2.510  -0.308  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.500   0.733   0.410  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.459   3.733   0.266  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.596   2.704  -0.954  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.330  -0.756   0.177  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.283  -4.694  -0.115  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.015   1.270  -0.879  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.443  -2.794   0.090  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.750  -0.711   0.317  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.438  -1.442   0.189  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.138  -1.365   0.065  1.00  0.00           C  
HETATM   12  C   UNL     1       1.255  -0.895   0.022  1.00  0.00           C  
HETATM   13 BR   UNL     1       4.054   2.163   0.091  1.00  0.00          Br  
HETATM   14  C   UNL     1       1.858   0.360   0.081  1.00  0.00           C  
HETATM   15  C   UNL     1       3.230   0.463   0.011  1.00  0.00           C  
HETATM   16  C   UNL     1       4.010  -0.679  -0.117  1.00  0.00           C  
HETATM   17  C   UNL     1       3.426  -1.925  -0.177  1.00  0.00           C  
HETATM   18  O   UNL     1       1.221  -3.121  -0.141  1.00  0.00           O  
HETATM   19  C   UNL     1       2.042  -2.050  -0.108  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.072  -2.750  -0.041  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.284  -3.477  -0.025  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.725   1.459   0.790  1.00  0.00           C  
HETATM   23  H   UNL     1      -5.642   4.427  -0.382  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.707   2.130  -1.039  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.581   1.954   1.750  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.563   0.765   0.851  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.687   3.035  -1.988  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.992   3.401  -0.374  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.925   1.302  -0.892  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.387   0.666  -1.706  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.268  -1.049   1.215  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.368  -0.918  -0.557  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.286  -3.275   0.102  1.00  0.00           H  
HETATM   34  H   UNL     1       1.252   1.249   0.180  1.00  0.00           H  
HETATM   35  H   UNL     1       5.085  -0.589  -0.171  1.00  0.00           H  
HETATM   36  H   UNL     1       4.043  -2.806  -0.278  1.00  0.00           H  
CONECT    1    3   22    4   24                                       
CONECT    2   22    7    9                                            
CONECT    3    1   23                                                 
CONECT    4    1    7   27   28                                       
CONECT    5   10   10   11                                            
CONECT    6   21   21                                                 
CONECT    7    4    2   29   30                                       
CONECT    8   10   21   33                                            
CONECT    9    2   10   31   32                                       
CONECT   10    9    5    5    8                                       
CONECT   11    5   12   20   20                                       
CONECT   12   11   14   19   19                                       
CONECT   13   15                                                      
CONECT   14   12   15   15   34                                       
CONECT   15   14   14   13   16                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   19   36                                       
CONECT   18   19   20                                                 
CONECT   19   12   12   17   18                                       
CONECT   20   11   11   18   21                                       
CONECT   21   20    6    6    8                                       
CONECT   22    1    2   25   26                                       
CONECT   23    3                                                      
CONECT   24    1                                                      
CONECT   25   22                                                      
CONECT   26   22                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    8                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
