COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.060  -2.184   1.852  1.00  0.00           C  
HETATM    2  C   UNL     1       6.765  -2.717   0.773  1.00  0.00           C  
HETATM    3 CL   UNL     1       8.289  -3.474   1.029  1.00  0.00          Cl  
HETATM    4  C   UNL     1       6.235  -2.636  -0.515  1.00  0.00           C  
HETATM    5  C   UNL     1       5.000  -2.021  -0.724  1.00  0.00           C  
HETATM    6  C   UNL     1       4.295  -1.489   0.355  1.00  0.00           C  
HETATM    7  C   UNL     1       4.830  -1.574   1.635  1.00  0.00           C  
HETATM    8  C   UNL     1       4.070  -1.000   2.797  1.00  0.00           C  
HETATM    9  N   UNL     1       3.534   0.324   2.498  1.00  0.00           N  
HETATM   10  C   UNL     1       4.303   1.430   2.153  1.00  0.00           C  
HETATM   11  O   UNL     1       3.987   2.371   1.435  1.00  0.00           O  
HETATM   12  C   UNL     1       5.689   1.479   2.710  1.00  0.00           C  
HETATM   13  O   UNL     1       6.298   2.592   2.278  1.00  0.00           O  
HETATM   14  O   UNL     1       6.138   0.599   3.414  1.00  0.00           O  
HETATM   15  C   UNL     1       2.087   0.459   2.586  1.00  0.00           C  
HETATM   16  C   UNL     1       1.643   0.852   3.965  1.00  0.00           C  
HETATM   17  S   UNL     1       1.289  -0.373   5.093  1.00  0.00           S  
HETATM   18  C   UNL     1       1.476   2.111   4.462  1.00  0.00           C  
HETATM   19  C   UNL     1       1.041   2.079   5.818  1.00  0.00           C  
HETATM   20  C   UNL     1       0.899   0.792   6.287  1.00  0.00           C  
HETATM   21  S   UNL     1       0.407   0.122   7.835  1.00  0.00           S  
HETATM   22  O   UNL     1       0.000   1.218   8.699  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.519  -0.965   7.562  1.00  0.00           O  
HETATM   24  N   UNL     1       1.870  -0.533   8.422  1.00  0.00           N  
HETATM   25  C   UNL     1       3.032   0.340   8.638  1.00  0.00           C  
HETATM   26  C   UNL     1       3.862  -0.140   9.832  1.00  0.00           C  
HETATM   27  C   UNL     1       4.475  -1.557   9.656  1.00  0.00           C  
HETATM   28  C   UNL     1       5.452  -1.657   8.491  1.00  0.00           C  
HETATM   29  C   UNL     1       5.582  -2.862   7.834  1.00  0.00           C  
HETATM   30  C   UNL     1       6.475  -2.954   6.767  1.00  0.00           C  
HETATM   31  C   UNL     1       7.219  -1.838   6.382  1.00  0.00           C  
HETATM   32  C   UNL     1       7.068  -0.631   7.064  1.00  0.00           C  
HETATM   33  C   UNL     1       6.174  -0.539   8.131  1.00  0.00           C  
HETATM   34  C   UNL     1       5.089  -2.109  10.940  1.00  0.00           C  
HETATM   35  C   UNL     1       5.093  -3.472  11.139  1.00  0.00           C  
HETATM   36  C   UNL     1       5.654  -3.977  12.312  1.00  0.00           C  
HETATM   37  C   UNL     1       6.196  -3.106  13.257  1.00  0.00           C  
HETATM   38  C   UNL     1       6.178  -1.730  13.029  1.00  0.00           C  
HETATM   39  C   UNL     1       5.617  -1.225  11.856  1.00  0.00           C  
HETATM   40  H   UNL     1       6.468  -2.244   2.858  1.00  0.00           H  
HETATM   41  H   UNL     1       6.773  -3.046  -1.366  1.00  0.00           H  
HETATM   42  H   UNL     1       4.588  -1.958  -1.726  1.00  0.00           H  
HETATM   43  H   UNL     1       3.334  -1.012   0.183  1.00  0.00           H  
HETATM   44  H   UNL     1       3.231  -1.651   3.068  1.00  0.00           H  
HETATM   45  H   UNL     1       4.711  -0.911   3.680  1.00  0.00           H  
HETATM   46  H   UNL     1       7.223   2.658   2.598  1.00  0.00           H  
HETATM   47  H   UNL     1       1.641  -0.498   2.295  1.00  0.00           H  
HETATM   48  H   UNL     1       1.775   1.202   1.846  1.00  0.00           H  
HETATM   49  H   UNL     1       1.651   3.018   3.897  1.00  0.00           H  
HETATM   50  H   UNL     1       0.844   2.958   6.419  1.00  0.00           H  
HETATM   51  H   UNL     1       2.077  -1.522   8.239  1.00  0.00           H  
HETATM   52  H   UNL     1       3.634   0.385   7.725  1.00  0.00           H  
HETATM   53  H   UNL     1       2.673   1.356   8.836  1.00  0.00           H  
HETATM   54  H   UNL     1       4.647   0.604  10.014  1.00  0.00           H  
HETATM   55  H   UNL     1       3.223  -0.138  10.726  1.00  0.00           H  
HETATM   56  H   UNL     1       3.622  -2.211   9.429  1.00  0.00           H  
HETATM   57  H   UNL     1       5.007  -3.737   8.127  1.00  0.00           H  
HETATM   58  H   UNL     1       6.593  -3.894   6.236  1.00  0.00           H  
HETATM   59  H   UNL     1       7.915  -1.910   5.551  1.00  0.00           H  
HETATM   60  H   UNL     1       7.647   0.238   6.764  1.00  0.00           H  
HETATM   61  H   UNL     1       6.064   0.406   8.656  1.00  0.00           H  
HETATM   62  H   UNL     1       4.674  -4.159  10.408  1.00  0.00           H  
HETATM   63  H   UNL     1       5.669  -5.048  12.490  1.00  0.00           H  
HETATM   64  H   UNL     1       6.633  -3.499  14.170  1.00  0.00           H  
HETATM   65  H   UNL     1       6.600  -1.052  13.765  1.00  0.00           H  
HETATM   66  H   UNL     1       5.607  -0.152  11.686  1.00  0.00           H  
CONECT    1    7    7    2   40                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5    7   43                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8   10   15                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   14   14   13                                       
CONECT   13   12   46                                                 
CONECT   14   12   12                                                 
CONECT   15    9   16   47   48                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16   20                                                 
CONECT   18   16   16   19   49                                       
CONECT   19   18   20   20   50                                       
CONECT   20   17   19   19   21                                       
CONECT   21   20   24   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   51                                            
CONECT   25   24   26   52   53                                       
CONECT   26   25   27   54   55                                       
CONECT   27   26   34   28   56                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   57                                       
CONECT   30   29   31   31   58                                       
CONECT   31   30   30   32   59                                       
CONECT   32   31   33   33   60                                       
CONECT   33   28   32   32   61                                       
CONECT   34   27   35   35   39                                       
CONECT   35   34   34   36   62                                       
CONECT   36   35   37   37   63                                       
CONECT   37   36   36   38   64                                       
CONECT   38   37   39   39   65                                       
CONECT   39   34   38   38   66                                       
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
