COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.190   2.832   1.093  1.00  0.00           C  
HETATM    2  C   UNL     1       7.233   2.178   3.088  1.00  0.00           C  
HETATM    3  C   UNL     1       6.585   1.037   1.201  1.00  0.00           C  
HETATM    4  C   UNL     1       7.439   1.845   0.433  1.00  0.00           C  
HETATM    5  C   UNL     1       6.465   0.461  -0.925  1.00  0.00           C  
HETATM    6  C   UNL     1       5.005  -0.864   0.652  1.00  0.00           C  
HETATM    7  C   UNL     1       3.611  -0.409   0.218  1.00  0.00           C  
HETATM    8  C   UNL     1       2.589  -1.493   0.566  1.00  0.00           C  
HETATM    9  C   UNL     1       1.194  -1.037   0.132  1.00  0.00           C  
HETATM   10  C   UNL     1       0.157  -2.064   0.590  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.426  -0.052   0.121  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.782   1.294  -0.514  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.896   3.569  -0.095  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.334   3.135  -0.439  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.295   1.590  -0.354  1.00  0.00           C  
HETATM   16  N   UNL     1       9.049   3.658   0.388  1.00  0.00           N  
HETATM   17  N   UNL     1       8.053   2.958   2.409  1.00  0.00           N  
HETATM   18  N   UNL     1       6.510   1.240   2.513  1.00  0.00           N  
HETATM   19  N   UNL     1       7.319   1.442  -0.855  1.00  0.00           N  
HETATM   20  N   UNL     1       5.984   0.174   0.319  1.00  0.00           N  
HETATM   21  O   UNL     1       3.272   0.801   0.899  1.00  0.00           O  
HETATM   22  O   UNL     1       2.928  -2.703  -0.115  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.146  -1.639   0.186  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.770  -1.646   0.017  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.501  -1.808   1.847  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.054  -0.354  -0.141  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.150   2.377   0.203  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.311   4.243  -1.211  1.00  0.00           O  
HETATM   29  O   UNL     1      -9.680   3.555  -1.760  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.772   1.137   0.914  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.010  -2.975  -0.333  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.574  -2.731   1.957  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.427  -3.886  -0.282  1.00  0.00           O  
HETATM   34  O   UNL     1       5.345  -2.074  -0.029  1.00  0.00           O  
HETATM   35  P   UNL     1      -2.481  -2.481   0.502  1.00  0.00           P  
HETATM   36  P   UNL     1      -5.337  -1.698   0.380  1.00  0.00           P  
HETATM   37 BR   UNL     1       5.966  -0.434  -2.514  1.00  0.00          Br  
HETATM   38  H   UNL     1       7.151   2.314   4.157  1.00  0.00           H  
HETATM   39  H   UNL     1       5.013  -1.039   1.728  1.00  0.00           H  
HETATM   40  H   UNL     1       3.604  -0.234  -0.858  1.00  0.00           H  
HETATM   41  H   UNL     1       2.596  -1.667   1.642  1.00  0.00           H  
HETATM   42  H   UNL     1       0.972  -0.070   0.583  1.00  0.00           H  
HETATM   43  H   UNL     1       1.162  -0.948  -0.954  1.00  0.00           H  
HETATM   44  H   UNL     1       0.379  -3.032   0.140  1.00  0.00           H  
HETATM   45  H   UNL     1       0.189  -2.153   1.676  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.588   0.000   1.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.057  -0.832  -0.304  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.497   1.309  -1.566  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.905   4.227   0.774  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.039   3.540   0.288  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.866   1.141  -1.166  1.00  0.00           H  
HETATM   52  H   UNL     1       9.137   3.559  -0.573  1.00  0.00           H  
HETATM   53  H   UNL     1       9.562   4.336   0.855  1.00  0.00           H  
HETATM   54  H   UNL     1       3.259   0.720   1.863  1.00  0.00           H  
HETATM   55  H   UNL     1       2.941  -2.621  -1.079  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.404   4.542  -1.059  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.663   4.514  -1.885  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.714   1.299   1.061  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.941  -2.970  -1.297  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.366  -3.799  -1.243  1.00  0.00           H  
HETATM   61  H   UNL     1       5.358  -1.993  -0.993  1.00  0.00           H  
CONECT    1    4    4   16   17                                       
CONECT    2   17   17   18   38                                       
CONECT    3    4   18   18   20                                       
CONECT    4    1    1    3   19                                       
CONECT    5   19   19   20   37                                       
CONECT    6    7   20   34   39                                       
CONECT    7    6    8   21   40                                       
CONECT    8    7    9   22   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   23   44   45                                       
CONECT   11   12   26   46   47                                       
CONECT   12   11   15   27   48                                       
CONECT   13   14   27   28   49                                       
CONECT   14   13   15   29   50                                       
CONECT   15   12   14   30   51                                       
CONECT   16    1   52   53                                            
CONECT   17    1    2    2                                            
CONECT   18    2    3    3                                            
CONECT   19    4    5    5                                            
CONECT   20    3    5    6                                            
CONECT   21    7   54                                                 
CONECT   22    8   55                                                 
CONECT   23   10   35                                                 
CONECT   24   35   36                                                 
CONECT   25   36   36                                                 
CONECT   26   11   36                                                 
CONECT   27   12   13                                                 
CONECT   28   13   56                                                 
CONECT   29   14   57                                                 
CONECT   30   15   58                                                 
CONECT   31   36   59                                                 
CONECT   32   35   35                                                 
CONECT   33   35   60                                                 
CONECT   34    6   61                                                 
CONECT   35   23   24   32   32                                       
CONECT   35   33                                                      
CONECT   36   24   25   25   26                                       
CONECT   36   31                                                      
CONECT   37    5                                                      
CONECT   38    2                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
