COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.298  -3.033  -2.161  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.563  -3.159  -1.616  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.859  -2.573  -0.399  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.892  -1.858   0.279  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.616  -1.729  -0.265  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.323  -2.321  -1.492  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.572  -0.962   0.459  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.296  -0.832  -0.085  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.329  -0.118   0.593  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.624   0.468   1.811  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.889   0.341   2.356  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.866  -0.365   1.683  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.948   0.023   0.006  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.511   1.418   0.114  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.841   2.303  -0.846  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.299   3.709  -0.793  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.574   1.970  -1.754  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.122   4.535   0.198  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.385   4.317  -2.128  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.504   4.470  -0.160  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.653   5.991   0.160  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.974  -0.877   0.769  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.613  -0.651   0.278  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.582  -1.339   0.808  1.00  0.00           C  
HETATM   25  C   UNL     1       0.818  -1.107   0.302  1.00  0.00           C  
HETATM   26  C   UNL     1       1.792  -2.007   1.066  1.00  0.00           C  
HETATM   27  N   UNL     1       3.153  -1.781   0.575  1.00  0.00           N  
HETATM   28  C   UNL     1       3.626  -2.522  -0.462  1.00  0.00           C  
HETATM   29  N   UNL     1       4.819  -2.381  -0.954  1.00  0.00           N  
HETATM   30  C   UNL     1       5.691  -1.468  -0.456  1.00  0.00           C  
HETATM   31  C   UNL     1       5.286  -0.652   0.624  1.00  0.00           C  
HETATM   32  C   UNL     1       3.927  -0.834   1.154  1.00  0.00           C  
HETATM   33  C   UNL     1       6.974  -1.318  -0.984  1.00  0.00           C  
HETATM   34  C   UNL     1       7.827  -0.378  -0.447  1.00  0.00           C  
HETATM   35  C   UNL     1       7.425   0.423   0.616  1.00  0.00           C  
HETATM   36  C   UNL     1       6.163   0.292   1.153  1.00  0.00           C  
HETATM   37  O   UNL     1       3.514  -0.160   2.080  1.00  0.00           O  
HETATM   38 CL   UNL     1       8.523   1.598   1.271  1.00  0.00          Cl  
HETATM   39 BR   UNL     1       9.565  -0.176  -1.165  1.00  0.00          Br  
HETATM   40  O   UNL     1      -0.782  -2.145   1.692  1.00  0.00           O  
HETATM   41  H   UNL     1      -9.071  -3.497  -3.110  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.323  -3.717  -2.144  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.849  -2.674   0.022  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.124  -1.401   1.229  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.336  -2.224  -1.918  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.064  -1.290  -1.036  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.864   1.025   2.338  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.115   0.800   3.307  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.853  -0.463   2.110  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.968  -0.271  -1.044  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.985   1.703   0.877  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.258   3.685  -0.471  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.987   4.136   1.203  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.798   3.827  -2.786  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.340   4.351  -2.449  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.697   4.810  -1.044  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.238   6.580   0.866  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.598   6.040   0.433  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.787   6.390  -0.845  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.020  -0.642   1.833  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.248  -1.921   0.615  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.453  -0.006  -0.429  1.00  0.00           H  
HETATM   63  H   UNL     1       0.864  -1.342  -0.761  1.00  0.00           H  
HETATM   64  H   UNL     1       1.092  -0.063   0.456  1.00  0.00           H  
HETATM   65  H   UNL     1       1.746  -1.773   2.129  1.00  0.00           H  
HETATM   66  H   UNL     1       1.518  -3.051   0.912  1.00  0.00           H  
HETATM   67  H   UNL     1       2.976  -3.265  -0.900  1.00  0.00           H  
HETATM   68  H   UNL     1       7.297  -1.935  -1.809  1.00  0.00           H  
HETATM   69  H   UNL     1       5.855   0.917   1.979  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5   44                                       
CONECT    5    6    6    4    7                                       
CONECT    6    1    5    5   45                                       
CONECT    7   12    5    8    8                                       
CONECT    8    7    7    9   46                                       
CONECT    9   10   10    8   13                                       
CONECT   10   11    9    9   47                                       
CONECT   11   12   12   10   48                                       
CONECT   12   11   11    7   49                                       
CONECT   13    9   14   22   50                                       
CONECT   14   15   13   51                                            
CONECT   15   17   17   16   14                                       
CONECT   16   18   15   19   52                                       
CONECT   17   15   15                                                 
CONECT   18   21   20   16   53                                       
CONECT   19   16   54   55                                            
CONECT   20   18   56                                                 
CONECT   21   18   57   58   59                                       
CONECT   22   13   23   60   61                                       
CONECT   23   22   24   62                                            
CONECT   24   23   40   40   25                                       
CONECT   25   24   26   63   64                                       
CONECT   26   25   27   65   66                                       
CONECT   27   28   26   32                                            
CONECT   28   29   29   27   67                                       
CONECT   29   28   28   30                                            
CONECT   30   29   33   33   31                                       
CONECT   31   30   32   36   36                                       
CONECT   32   27   31   37   37                                       
CONECT   33   30   30   34   68                                       
CONECT   34   33   39   35   35                                       
CONECT   35   34   34   36   38                                       
CONECT   36   31   31   35   69                                       
CONECT   37   32   32                                                 
CONECT   38   35                                                      
CONECT   39   34                                                      
CONECT   40   24   24                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
