COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.923   1.344  -1.423  1.00  0.00           C  
HETATM    2  C   UNL     1       7.103   0.590  -0.373  1.00  0.00           C  
HETATM    3  C   UNL     1       7.099   1.262   1.013  1.00  0.00           C  
HETATM    4  C   UNL     1       6.575   0.301   2.095  1.00  0.00           C  
HETATM    5  C   UNL     1       5.061   0.137   1.894  1.00  0.00           C  
HETATM    6  C   UNL     1       4.788  -0.112   0.404  1.00  0.00           C  
HETATM    7  C   UNL     1       5.598   0.915  -0.408  1.00  0.00           C  
HETATM    8  C   UNL     1       5.958   2.139   0.458  1.00  0.00           C  
HETATM    9  C   UNL     1       3.296   0.063   0.116  1.00  0.00           C  
HETATM   10  C   UNL     1       2.504  -1.018   0.855  1.00  0.00           C  
HETATM   11  O   UNL     1       1.110  -0.855   0.586  1.00  0.00           O  
HETATM   12  C   UNL     1       0.277  -1.819   1.232  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.186  -1.550   0.875  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.413  -1.876  -0.539  1.00  0.00           N1+
HETATM   15  C   UNL     1      -1.180  -3.311  -0.754  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.417  -3.648  -2.229  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.553  -2.848  -3.040  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.726  -1.441  -2.848  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.488  -1.100  -1.375  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.797  -1.545  -0.902  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.061  -0.091  -0.603  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.860   0.862  -1.584  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.101   2.199  -1.310  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.547   2.579  -0.048  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.747   1.619   0.931  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.509   0.285   0.650  1.00  0.00           C  
HETATM   27 BR   UNL     1      -3.791  -1.025   1.985  1.00  0.00          Br  
HETATM   28  O   UNL     1      -3.784   3.890   0.225  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.240   4.206   1.542  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.903   3.138  -2.274  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.444   2.675  -3.546  1.00  0.00           C  
HETATM   32  C   UNL     1       7.415  -0.907  -0.334  1.00  0.00           C  
HETATM   33  H   UNL     1       8.981   1.122  -1.286  1.00  0.00           H  
HETATM   34  H   UNL     1       7.612   1.030  -2.420  1.00  0.00           H  
HETATM   35  H   UNL     1       7.758   2.415  -1.311  1.00  0.00           H  
HETATM   36  H   UNL     1       8.017   1.785   1.283  1.00  0.00           H  
HETATM   37  H   UNL     1       7.066  -0.667   1.997  1.00  0.00           H  
HETATM   38  H   UNL     1       4.705  -0.711   2.478  1.00  0.00           H  
HETATM   39  H   UNL     1       4.549   1.045   2.214  1.00  0.00           H  
HETATM   40  H   UNL     1       5.100  -1.121   0.136  1.00  0.00           H  
HETATM   41  H   UNL     1       5.187   1.131  -1.395  1.00  0.00           H  
HETATM   42  H   UNL     1       5.199   2.395   1.197  1.00  0.00           H  
HETATM   43  H   UNL     1       6.303   2.999  -0.116  1.00  0.00           H  
HETATM   44  H   UNL     1       2.973   1.047   0.456  1.00  0.00           H  
HETATM   45  H   UNL     1       3.120  -0.027  -0.956  1.00  0.00           H  
HETATM   46  H   UNL     1       2.827  -2.002   0.515  1.00  0.00           H  
HETATM   47  H   UNL     1       2.680  -0.928   1.927  1.00  0.00           H  
HETATM   48  H   UNL     1       0.554  -2.820   0.900  1.00  0.00           H  
HETATM   49  H   UNL     1       0.407  -1.746   2.312  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.832  -2.168   1.499  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.414  -0.498   1.047  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.153  -3.557  -0.486  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.866  -3.888  -0.134  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.203  -4.703  -2.400  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.456  -3.440  -2.487  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.012  -0.899  -3.468  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.741  -1.157  -3.128  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.660  -0.035  -1.216  1.00  0.00           H  
HETATM   59  H   UNL     1       0.539  -1.346  -1.107  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.948  -1.730  -1.966  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.483  -2.165  -0.324  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.514   0.565  -2.563  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.092   1.911   1.911  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.181   3.692   1.734  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.495   3.886   2.270  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.391   5.282   1.625  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.171   1.978  -3.962  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.327   3.524  -4.220  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.485   2.172  -3.425  1.00  0.00           H  
HETATM   70  H   UNL     1       8.480  -1.052  -0.155  1.00  0.00           H  
HETATM   71  H   UNL     1       6.845  -1.376   0.469  1.00  0.00           H  
HETATM   72  H   UNL     1       7.141  -1.361  -1.286  1.00  0.00           H  
HETATM   73  H   UNL     1       6.772   0.717   3.083  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3    7   32                                       
CONECT    3    2    4    8   36                                       
CONECT    4    3    5   37   73                                       
CONECT    5    4    6   38   39                                       
CONECT    6    5    7    9   40                                       
CONECT    7    2    6    8   41                                       
CONECT    8    3    7   42   43                                       
CONECT    9    6   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   19   20                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   56   57                                       
CONECT   19   14   18   58   59                                       
CONECT   20   14   21   60   61                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   62                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23   25   28                                       
CONECT   25   24   26   26   63                                       
CONECT   26   21   25   25   27                                       
CONECT   27   26                                                      
CONECT   28   24   29                                                 
CONECT   29   28   64   65   66                                       
CONECT   30   23   31                                                 
CONECT   31   30   67   68   69                                       
CONECT   32    2   70   71   72                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   25                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73    4                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
