COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.893  -3.435   0.827  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.744   3.245   1.376  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.071   2.794  -0.049  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.487   3.775  -1.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.481   1.429  -0.291  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.336   2.249   2.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.589   2.733  -0.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.188   4.119   0.017  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.613  -0.046  -0.303  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.324  -0.218  -0.785  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.642  -3.605   0.359  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.370  -1.148   0.070  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.836  -2.433  -0.039  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.540  -2.608  -0.523  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.784  -1.500  -0.897  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.627  -4.631   1.199  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.409  -1.681  -1.410  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.150   1.241  -0.187  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.676   3.404  -1.846  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.204   0.498  -0.579  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.176  -4.723   0.264  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.179  -2.537  -2.242  1.00  0.00           O  
HETATM   23  N   UNL     1       0.589  -0.897  -0.956  1.00  0.00           N  
HETATM   24  C   UNL     1       0.317   0.206  -0.023  1.00  0.00           C  
HETATM   25  C   UNL     1       1.263   0.073   1.176  1.00  0.00           C  
HETATM   26  N   UNL     1       2.649  -0.007   0.696  1.00  0.00           N  
HETATM   27  C   UNL     1       2.860  -1.207  -0.125  1.00  0.00           C  
HETATM   28  C   UNL     1       1.980  -1.127  -1.377  1.00  0.00           C  
HETATM   29  C   UNL     1       3.598   0.039   1.816  1.00  0.00           C  
HETATM   30  C   UNL     1       4.997   0.202   1.283  1.00  0.00           C  
HETATM   31  C   UNL     1       5.521   1.467   1.091  1.00  0.00           C  
HETATM   32  C   UNL     1       6.805   1.617   0.602  1.00  0.00           C  
HETATM   33  C   UNL     1       7.566   0.502   0.305  1.00  0.00           C  
HETATM   34  C   UNL     1       7.043  -0.764   0.497  1.00  0.00           C  
HETATM   35  C   UNL     1       5.760  -0.913   0.991  1.00  0.00           C  
HETATM   36 BR   UNL     1       9.323   0.707  -0.364  1.00  0.00          Br  
HETATM   37  H   UNL     1      -4.662   3.289   1.505  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.170   4.233   1.552  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.794   4.810  -1.010  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.418   2.206   2.247  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.910   1.262   2.200  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.103   2.571   3.391  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.822   2.411  -1.244  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.011   2.023   0.483  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.955   4.441   1.033  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.766   4.829  -0.694  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.269   4.076  -0.111  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.738   0.642  -1.075  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.373  -1.010   0.445  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.124  -3.601  -0.608  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.726  -5.282   0.330  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.089  -5.157   1.987  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.618  -4.353   1.559  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.564   1.999  -0.032  1.00  0.00           H  
HETATM   55  H   UNL     1       0.490   1.159  -0.522  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.717   0.150   0.319  1.00  0.00           H  
HETATM   57  H   UNL     1       1.152   0.943   1.824  1.00  0.00           H  
HETATM   58  H   UNL     1       1.018  -0.830   1.734  1.00  0.00           H  
HETATM   59  H   UNL     1       3.908  -1.266  -0.420  1.00  0.00           H  
HETATM   60  H   UNL     1       2.594  -2.093   0.451  1.00  0.00           H  
HETATM   61  H   UNL     1       2.046  -2.065  -1.926  1.00  0.00           H  
HETATM   62  H   UNL     1       2.311  -0.304  -2.010  1.00  0.00           H  
HETATM   63  H   UNL     1       3.355   0.881   2.464  1.00  0.00           H  
HETATM   64  H   UNL     1       3.532  -0.888   2.386  1.00  0.00           H  
HETATM   65  H   UNL     1       4.926   2.338   1.322  1.00  0.00           H  
HETATM   66  H   UNL     1       7.213   2.606   0.452  1.00  0.00           H  
HETATM   67  H   UNL     1       7.637  -1.635   0.265  1.00  0.00           H  
HETATM   68  H   UNL     1       5.353  -1.901   1.145  1.00  0.00           H  
CONECT    1   11   16                                                 
CONECT    2    6    3   37   38                                       
CONECT    3    4    2    5    7                                       
CONECT    4   19   19    3   39                                       
CONECT    5    3   20   20   18                                       
CONECT    6    2   40   41   42                                       
CONECT    7    3    8   43   44                                       
CONECT    8    7   45   46   47                                       
CONECT    9   18   10   10   12                                       
CONECT   10    9    9   15   48                                       
CONECT   11   13   21   21    1                                       
CONECT   12    9   13   13   49                                       
CONECT   13   12   12   14   11                                       
CONECT   14   15   15   13   50                                       
CONECT   15   10   17   14   14                                       
CONECT   16    1   51   52   53                                       
CONECT   17   23   15   22   22                                       
CONECT   18    5    9   54                                            
CONECT   19    4    4                                                 
CONECT   20    5    5                                                 
CONECT   21   11   11                                                 
CONECT   22   17   17                                                 
CONECT   23   24   28   17                                            
CONECT   24   25   23   55   56                                       
CONECT   25   24   26   57   58                                       
CONECT   26   25   29   27                                            
CONECT   27   26   28   59   60                                       
CONECT   28   23   27   61   62                                       
CONECT   29   26   30   63   64                                       
CONECT   30   29   35   35   31                                       
CONECT   31   30   32   32   65                                       
CONECT   32   31   31   33   66                                       
CONECT   33   34   34   32   36                                       
CONECT   34   35   33   33   67                                       
CONECT   35   30   30   34   68                                       
CONECT   36   33                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
