COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.188  -1.250  -1.318  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.557  -2.571  -1.566  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.659  -3.102  -0.930  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.531   0.920  -0.173  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.696   0.638  -1.707  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.021  -0.641  -1.972  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.291   1.776   0.764  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.011   2.805  -0.594  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.690   2.239   1.935  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.406  -2.333  -0.047  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.059  -1.023   0.212  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.944  -0.471  -0.415  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.425   1.416  -0.833  1.00  0.00           C  
HETATM   14 BR   UNL     1      -5.913  -3.090   0.809  1.00  0.00          Br  
HETATM   15  C   UNL     1       0.472   1.224  -2.371  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.013   3.346  -1.322  1.00  0.00           O  
HETATM   17  C   UNL     1       0.343   4.724  -1.031  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.568   3.467   0.261  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.349  -1.292  -2.750  1.00  0.00           O  
HETATM   20  C   UNL     1       1.697   0.998  -1.523  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.404   3.037   2.805  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.715   3.377   2.519  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.317   2.920   1.360  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.612   2.128   0.478  1.00  0.00           C  
HETATM   25  C   UNL     1       2.528  -0.076  -1.784  1.00  0.00           C  
HETATM   26  C   UNL     1       3.652  -0.286  -1.009  1.00  0.00           C  
HETATM   27  C   UNL     1       3.947   0.584   0.034  1.00  0.00           C  
HETATM   28  C   UNL     1       3.110   1.661   0.293  1.00  0.00           C  
HETATM   29  C   UNL     1       1.991   1.868  -0.489  1.00  0.00           C  
HETATM   30  N   UNL     1       5.084   0.374   0.821  1.00  0.00           N  
HETATM   31  C   UNL     1       6.145  -0.282   0.311  1.00  0.00           C  
HETATM   32  C   UNL     1       7.316  -0.625   1.196  1.00  0.00           C  
HETATM   33  C   UNL     1       8.377  -1.362   0.376  1.00  0.00           C  
HETATM   34  C   UNL     1       9.547  -1.706   1.261  1.00  0.00           C  
HETATM   35  O   UNL     1       6.159  -0.595  -0.861  1.00  0.00           O  
HETATM   36  O   UNL     1       9.534  -1.393   2.428  1.00  0.00           O  
HETATM   37  O   UNL     1      10.604  -2.359   0.753  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.982  -3.176  -2.252  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.945  -4.126  -1.122  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.667   1.974   2.160  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.644  -0.432   0.900  1.00  0.00           H  
HETATM   42  H   UNL     1       0.611   0.753  -3.343  1.00  0.00           H  
HETATM   43  H   UNL     1       0.315   2.294  -2.504  1.00  0.00           H  
HETATM   44  H   UNL     1       0.661   4.805   0.008  1.00  0.00           H  
HETATM   45  H   UNL     1       1.157   5.035  -1.686  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.523   5.365  -1.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.940   3.396   3.711  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.270   4.001   3.203  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.340   3.189   1.142  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.081   1.776  -0.429  1.00  0.00           H  
HETATM   51  H   UNL     1       2.298  -0.752  -2.594  1.00  0.00           H  
HETATM   52  H   UNL     1       4.300  -1.125  -1.212  1.00  0.00           H  
HETATM   53  H   UNL     1       3.337   2.339   1.102  1.00  0.00           H  
HETATM   54  H   UNL     1       1.342   2.709  -0.291  1.00  0.00           H  
HETATM   55  H   UNL     1       5.109   0.700   1.734  1.00  0.00           H  
HETATM   56  H   UNL     1       7.743   0.290   1.605  1.00  0.00           H  
HETATM   57  H   UNL     1       6.979  -1.265   2.012  1.00  0.00           H  
HETATM   58  H   UNL     1       7.949  -2.277  -0.033  1.00  0.00           H  
HETATM   59  H   UNL     1       8.714  -0.723  -0.440  1.00  0.00           H  
HETATM   60  H   UNL     1      11.330  -2.557   1.359  1.00  0.00           H  
CONECT    1    6   12   12    2                                       
CONECT    2    1    3    3   38                                       
CONECT    3    2    2   10   39                                       
CONECT    4    7   13   13   12                                       
CONECT    5   13   15    6                                            
CONECT    6    1    5   19   19                                       
CONECT    7    4    9    9   24                                       
CONECT    8   18   18   16   13                                       
CONECT    9    7    7   21   40                                       
CONECT   10    3   11   11   14                                       
CONECT   11   10   10   12   41                                       
CONECT   12    1    1    4   11                                       
CONECT   13    4    4    5    8                                       
CONECT   14   10                                                      
CONECT   15    5   20   42   43                                       
CONECT   16    8   17                                                 
CONECT   17   16   44   45   46                                       
CONECT   18    8    8                                                 
CONECT   19    6    6                                                 
CONECT   20   15   29   29   25                                       
CONECT   21    9   22   22   47                                       
CONECT   22   21   21   23   48                                       
CONECT   23   22   24   24   49                                       
CONECT   24    7   23   23   50                                       
CONECT   25   20   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   29   53                                       
CONECT   29   20   20   28   54                                       
CONECT   30   27   31   55                                            
CONECT   31   30   32   35   35                                       
CONECT   32   31   33   56   57                                       
CONECT   33   32   34   58   59                                       
CONECT   34   33   36   36   37                                       
CONECT   35   31   31                                                 
CONECT   36   34   34                                                 
CONECT   37   34   60                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   37                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
