COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.331  -1.569   0.461  1.00  0.00           N  
HETATM    2  N   UNL     1       3.281  -2.090  -0.569  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.036  -0.479  -0.286  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.662  -0.490  -0.148  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.966   0.707  -0.050  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.973  -0.577   0.119  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.463  -0.386   0.275  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.517  -2.642   0.516  1.00  0.00           C  
HETATM    9  C   UNL     1       2.695  -3.434  -0.674  1.00  0.00           C  
HETATM   10  C   UNL     1       4.618  -1.926  -0.533  1.00  0.00           C  
HETATM   11  C   UNL     1       6.511  -0.306  -0.133  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.654   1.911  -0.089  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.776   3.224  -0.275  1.00  0.00           C  
HETATM   14  C   UNL     1       1.401  -1.127   0.652  1.00  0.00           C  
HETATM   15  C   UNL     1       2.383  -0.928  -0.510  1.00  0.00           C  
HETATM   16  C   UNL     1       1.718  -3.635   0.491  1.00  0.00           C  
HETATM   17  C   UNL     1       5.187  -0.594  -0.306  1.00  0.00           C  
HETATM   18  C   UNL     1       6.602   1.082   0.051  1.00  0.00           C  
HETATM   19  C   UNL     1       5.344   1.576  -0.022  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.029   1.916  -0.226  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.719   0.723  -0.330  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.776  -1.752   0.311  1.00  0.00           C  
HETATM   23  N   UNL     1       0.819  -2.473   0.556  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.614   0.699   0.086  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.989  -3.762   0.531  1.00  0.00           O  
HETATM   26  O   UNL     1       5.353  -2.883  -0.689  1.00  0.00           O  
HETATM   27  O   UNL     1       4.495   0.562  -0.231  1.00  0.00           O  
HETATM   28 BR   UNL     1       4.864   3.396   0.157  1.00  0.00          Br  
HETATM   29  H   UNL     1      -0.959  -0.675   0.524  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.578  -1.410  -0.363  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.129  -1.429  -0.117  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.177  -1.111  -0.809  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.355  -1.154   0.962  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.081   0.191  -0.567  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.259   0.148   1.204  1.00  0.00           H  
HETATM   36  H   UNL     1       2.161  -3.527  -1.620  1.00  0.00           H  
HETATM   37  H   UNL     1       3.485  -4.182  -0.622  1.00  0.00           H  
HETATM   38  H   UNL     1       7.330  -1.011  -0.134  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.115   2.844  -0.012  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.066   3.515   0.735  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.134   3.993  -0.704  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.668   3.111  -0.891  1.00  0.00           H  
HETATM   43  H   UNL     1       1.931  -1.032   1.599  1.00  0.00           H  
HETATM   44  H   UNL     1       0.613  -0.376   0.597  1.00  0.00           H  
HETATM   45  H   UNL     1       2.967  -0.023  -0.344  1.00  0.00           H  
HETATM   46  H   UNL     1       1.831  -0.845  -1.446  1.00  0.00           H  
HETATM   47  H   UNL     1       1.133  -4.540   0.326  1.00  0.00           H  
HETATM   48  H   UNL     1       2.274  -3.723   1.424  1.00  0.00           H  
HETATM   49  H   UNL     1       7.505   1.648   0.220  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.792   0.729  -0.445  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.981  -2.286  -0.617  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.158  -2.329   1.154  1.00  0.00           H  
CONECT    1   22    8   29                                            
CONECT    2   15    9   10                                            
CONECT    3   21    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4   24   12   12                                       
CONECT    6   24    7   32   33                                       
CONECT    7    6   22   34   35                                       
CONECT    8    1   25   25   23                                       
CONECT    9    2   16   36   37                                       
CONECT   10    2   26   26   17                                       
CONECT   11   17   17   18   38                                       
CONECT   12    5    5   20   39                                       
CONECT   13   20   40   41   42                                       
CONECT   14   23   15   43   44                                       
CONECT   15   14    2   45   46                                       
CONECT   16    9   23   47   48                                       
CONECT   17   10   11   11   27                                       
CONECT   18   11   19   19   49                                       
CONECT   19   18   18   27   28                                       
CONECT   20   13   21   21   12                                       
CONECT   21   20   20    3   50                                       
CONECT   22    7    1   51   52                                       
CONECT   23    8   14   16                                            
CONECT   24    5    6                                                 
CONECT   25    8    8                                                 
CONECT   26   10   10                                                 
CONECT   27   19   17                                                 
CONECT   28   19                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
