COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.351  -1.514  -2.433  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.985  -0.442  -3.462  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.591  -2.845  -3.147  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.302  -0.250   0.278  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.605   0.469   0.621  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.138   1.879   0.359  1.00  0.00           C  
HETATM    7  S   UNL     1      -5.120  -2.213   0.773  1.00  0.00           S  
HETATM    8  C   UNL     1       8.517   0.008   0.061  1.00  0.00           C  
HETATM    9  C   UNL     1       7.322  -0.427   0.605  1.00  0.00           C  
HETATM   10  C   UNL     1       6.139   0.201   0.264  1.00  0.00           C  
HETATM   11  C   UNL     1       4.837  -0.273   0.857  1.00  0.00           C  
HETATM   12  C   UNL     1       4.564   0.483   2.159  1.00  0.00           C  
HETATM   13  C   UNL     1       3.700  -0.009  -0.133  1.00  0.00           C  
HETATM   14  C   UNL     1       1.323  -0.181  -0.261  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.081  -0.398  -0.593  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.204  -1.671  -1.432  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.099   2.909   0.808  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.985   3.029  -0.213  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.861   5.072  -0.194  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.705   4.329   0.818  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.703  -0.554   0.326  1.00  0.00           C  
HETATM   22  C   UNL     1       6.150   1.264  -0.620  1.00  0.00           C  
HETATM   23  C   UNL     1       7.344   1.699  -1.164  1.00  0.00           C  
HETATM   24  C   UNL     1       8.528   1.071  -0.824  1.00  0.00           C  
HETATM   25  N   UNL     1       0.113  -0.483   0.251  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.453   0.213  -0.248  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.970   4.283  -0.686  1.00  0.00           N  
HETATM   28  O   UNL     1       4.918  -1.673   1.127  1.00  0.00           O  
HETATM   29  O   UNL     1       2.432  -0.355   0.483  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.233   2.138  -0.546  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.868  -0.237   1.091  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.249  -0.548   1.453  1.00  0.00           O  
HETATM   33  O   UNL     1       1.413   0.250  -1.394  1.00  0.00           O  
HETATM   34 CL   UNL     1      10.004  -0.776   0.494  1.00  0.00          Cl  
HETATM   35  H   UNL     1      -3.256  -1.216  -1.905  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.827  -0.282  -4.135  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.749   0.490  -2.948  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.118  -0.770  -4.036  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.852  -3.609  -2.414  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.408  -2.733  -3.860  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.685  -3.143  -3.675  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.299   0.384   1.664  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.333   2.002  -0.706  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.062   2.028   0.918  1.00  0.00           H  
HETATM   45  H   UNL     1       7.313  -1.257   1.296  1.00  0.00           H  
HETATM   46  H   UNL     1       4.502   1.552   1.953  1.00  0.00           H  
HETATM   47  H   UNL     1       3.622   0.141   2.588  1.00  0.00           H  
HETATM   48  H   UNL     1       5.374   0.295   2.864  1.00  0.00           H  
HETATM   49  H   UNL     1       3.695   1.046  -0.407  1.00  0.00           H  
HETATM   50  H   UNL     1       3.848  -0.616  -1.026  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.999   0.465  -1.253  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.408  -2.519  -0.778  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.273  -1.844  -1.970  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.701   2.651   1.790  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.987   6.110  -0.465  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.748   4.304   0.505  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.608   4.781   1.805  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.948  -0.529  -0.736  1.00  0.00           H  
HETATM   59  H   UNL     1       5.225   1.754  -0.887  1.00  0.00           H  
HETATM   60  H   UNL     1       7.352   2.528  -1.855  1.00  0.00           H  
HETATM   61  H   UNL     1       9.460   1.411  -1.249  1.00  0.00           H  
HETATM   62  H   UNL     1       0.034  -0.757   1.178  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.519   0.378  -1.202  1.00  0.00           H  
HETATM   64  H   UNL     1       5.089  -2.216   0.345  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.235   0.638   0.903  1.00  0.00           H  
HETATM   66  O   UNL     1      -3.862  -2.410  -0.061  1.00  0.00           O  
HETATM   67  O   UNL     1      -4.656  -2.234   2.116  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.018  -3.204   0.292  1.00  0.00           O  
HETATM   69  H   UNL     1      -3.432  -3.266   0.073  1.00  0.00           H  
CONECT    1    2    3   16   35                                       
CONECT    2    1   36   37   38                                       
CONECT    3    1   39   40   41                                       
CONECT    4   15   32   32   26                                       
CONECT    5   26   21    6   42                                       
CONECT    6    5   17   43   44                                       
CONECT    7   21   66   67   67                                       
CONECT    7   68   68                                                 
CONECT    8   34   24   24    9                                       
CONECT    9    8   10   10   45                                       
CONECT   10    9    9   22   11                                       
CONECT   11   10   13   12   28                                       
CONECT   12   11   46   47   48                                       
CONECT   13   29   11   49   50                                       
CONECT   14   25   29   33   33                                       
CONECT   15   16   25    4   51                                       
CONECT   16    1   15   52   53                                       
CONECT   17    6   20   18   54                                       
CONECT   18   17   30   30   27                                       
CONECT   19   20   27   27   55                                       
CONECT   20   17   19   56   57                                       
CONECT   21    7   31    5   58                                       
CONECT   22   23   23   10   59                                       
CONECT   23   24   22   22   60                                       
CONECT   24    8    8   23   61                                       
CONECT   25   15   14   62                                            
CONECT   26    4    5   63                                            
CONECT   27   18   19   19                                            
CONECT   28   11   64                                                 
CONECT   29   14   13                                                 
CONECT   30   18   18                                                 
CONECT   31   21   65                                                 
CONECT   32    4    4                                                 
CONECT   33   14   14                                                 
CONECT   34    8                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   31                                                      
CONECT   66    7   69                                                 
CONECT   67    7    7                                                 
CONECT   68    7    7                                                 
CONECT   69   66                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
