COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.134   3.401  -0.361  1.00  0.00           C  
HETATM    2  C   UNL     1       3.139  -0.855   0.958  1.00  0.00           C  
HETATM    3  C   UNL     1       2.333  -2.108   1.147  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.592  -1.701   1.704  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.707  -2.984   2.098  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.616   0.861   1.628  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.950   1.242   1.255  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.173  -5.419  -3.190  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.764  -3.946  -3.257  1.00  0.00           C  
HETATM   10  C   UNL     1       0.245  -3.646  -2.147  1.00  0.00           C  
HETATM   11  C   UNL     1       0.655  -2.174  -2.214  1.00  0.00           C  
HETATM   12  C   UNL     1       1.755  -1.903  -1.186  1.00  0.00           C  
HETATM   13  C   UNL     1       2.197  -0.438  -1.274  1.00  0.00           C  
HETATM   14  C   UNL     1       3.894   1.017  -0.251  1.00  0.00           C  
HETATM   15  C   UNL     1       3.326   2.284  -0.266  1.00  0.00           C  
HETATM   16  C   UNL     1       5.507   3.258  -0.446  1.00  0.00           C  
HETATM   17  C   UNL     1       6.076   1.996  -0.437  1.00  0.00           C  
HETATM   18  C   UNL     1       5.272   0.875  -0.342  1.00  0.00           C  
HETATM   19  C   UNL     1       0.178  -1.193   0.512  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.839  -1.796   3.500  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.484   0.507   2.558  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.912   0.917   2.108  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.693   1.511  -0.077  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.395   1.465  -0.553  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.358   1.134   0.298  1.00  0.00           C  
HETATM   26  N   UNL     1       3.078  -0.116  -0.155  1.00  0.00           N  
HETATM   27  N   UNL     1       1.237  -2.152   0.169  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.475  -3.012   3.198  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.315  -0.948   2.589  1.00  0.00           N  
HETATM   30  O   UNL     1       3.872  -0.495   1.855  1.00  0.00           O  
HETATM   31 BR   UNL     1      -6.114   1.956  -1.243  1.00  0.00          Br  
HETATM   32 CL   UNL     1       7.799   1.821  -0.545  1.00  0.00          Cl  
HETATM   33  H   UNL     1       3.692   4.386  -0.373  1.00  0.00           H  
HETATM   34  H   UNL     1       2.977  -2.977   1.008  1.00  0.00           H  
HETATM   35  H   UNL     1       1.917  -2.123   2.154  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.260  -3.839   1.614  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.962   1.286   1.630  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.892  -5.632  -3.981  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.292  -6.047  -3.321  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.627  -5.626  -2.221  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.310  -3.739  -4.226  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.645  -3.318  -3.127  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.209  -3.854  -1.178  1.00  0.00           H  
HETATM   44  H   UNL     1       1.126  -4.275  -2.277  1.00  0.00           H  
HETATM   45  H   UNL     1       1.026  -1.945  -3.213  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.209  -1.546  -1.995  1.00  0.00           H  
HETATM   47  H   UNL     1       2.605  -2.559  -1.379  1.00  0.00           H  
HETATM   48  H   UNL     1       2.735  -0.278  -2.208  1.00  0.00           H  
HETATM   49  H   UNL     1       1.319   0.207  -1.250  1.00  0.00           H  
HETATM   50  H   UNL     1       2.254   2.397  -0.203  1.00  0.00           H  
HETATM   51  H   UNL     1       6.136   4.132  -0.521  1.00  0.00           H  
HETATM   52  H   UNL     1       5.716  -0.109  -0.335  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.497  -1.079  -0.335  1.00  0.00           H  
HETATM   54  H   UNL     1       0.626  -0.229   0.753  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.463  -1.516   4.336  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.564   0.972   2.204  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.711   0.868   3.561  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.112   0.707   3.148  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.193   1.682  -1.592  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.346   1.090  -0.076  1.00  0.00           H  
CONECT    1   16   15   15   33                                       
CONECT    2   26    3   30   30                                       
CONECT    3   27    2   34   35                                       
CONECT    4    5    5   19   29                                       
CONECT    5   28    4    4   36                                       
CONECT    6   25   21   22   22                                       
CONECT    7   23   23   22   37                                       
CONECT    8    9   38   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   27   47                                       
CONECT   13   12   26   48   49                                       
CONECT   14   18   18   15   26                                       
CONECT   15    1    1   14   50                                       
CONECT   16   17   17    1   51                                       
CONECT   17   32   16   16   18                                       
CONECT   18   17   14   14   52                                       
CONECT   19    4   27   53   54                                       
CONECT   20   28   28   29   55                                       
CONECT   21   29    6   56   57                                       
CONECT   22    6    6    7   58                                       
CONECT   23   24   31    7    7                                       
CONECT   24   25   25   23   59                                       
CONECT   25   24   24    6   60                                       
CONECT   26   13   14    2                                            
CONECT   27   12   19    3                                            
CONECT   28    5   20   20                                            
CONECT   29   20    4   21                                            
CONECT   30    2    2                                                 
CONECT   31   23                                                      
CONECT   32   17                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
