COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.877   0.304   1.135  1.00  0.00           C  
HETATM    2  C   UNL     1       1.204   0.428  -0.056  1.00  0.00           C  
HETATM    3  N   UNL     1       3.824  -0.616  -0.262  1.00  0.00           N  
HETATM    4  C   UNL     1       8.218  -1.770   1.641  1.00  0.00           C  
HETATM    5  C   UNL     1       8.225   0.440   0.729  1.00  0.00           C  
HETATM    6  C   UNL     1       7.062   0.133  -0.020  1.00  0.00           C  
HETATM    7  C   UNL     1       7.040   2.259  -0.918  1.00  0.00           C  
HETATM    8  C   UNL     1       8.785   1.727   0.624  1.00  0.00           C  
HETATM    9  C   UNL     1       2.081   0.766  -1.263  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.515   1.531   1.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.833   1.632   0.755  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.346   0.040  -1.302  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.581   0.796  -0.893  1.00  0.00           C  
HETATM   14 CL   UNL     1      -7.724  -2.162  -0.196  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -6.875  -0.740   0.325  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.554  -0.828   0.720  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.436   0.202   1.564  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.562   0.403   0.401  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.147   0.310   0.782  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.270   0.525  -0.453  1.00  0.00           C  
HETATM   21  C   UNL     1       1.511  -0.994   0.418  1.00  0.00           C  
HETATM   22  C   UNL     1       2.979  -1.079   0.848  1.00  0.00           C  
HETATM   23  S   UNL     1       5.056  -1.563  -0.835  1.00  0.00           S  
HETATM   24  O   UNL     1       5.297  -1.142  -2.171  1.00  0.00           O  
HETATM   25  C   UNL     1       6.502  -1.152   0.084  1.00  0.00           C  
HETATM   26  C   UNL     1       7.074  -2.074   0.905  1.00  0.00           C  
HETATM   27  C   UNL     1       8.792  -0.538   1.562  1.00  0.00           C  
HETATM   28  N   UNL     1       6.518   1.061  -0.814  1.00  0.00           N  
HETATM   29  C   UNL     1       8.176   2.629  -0.201  1.00  0.00           C  
HETATM   30  C   UNL     1       8.739   4.019  -0.346  1.00  0.00           C  
HETATM   31  O   UNL     1       4.727  -2.902  -0.490  1.00  0.00           O  
HETATM   32  C   UNL     1       3.555   0.701  -0.853  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.521   0.496   0.336  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.938   0.599  -0.092  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.664   0.144  -1.697  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.183   1.348   0.312  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.866   1.255   0.714  1.00  0.00           C  
HETATM   38  H   UNL     1       1.410   1.132   0.751  1.00  0.00           H  
HETATM   39  H   UNL     1       8.652  -2.520   2.285  1.00  0.00           H  
HETATM   40  H   UNL     1       6.572   2.981  -1.571  1.00  0.00           H  
HETATM   41  H   UNL     1       9.670   1.995   1.181  1.00  0.00           H  
HETATM   42  H   UNL     1       1.893   0.048  -2.061  1.00  0.00           H  
HETATM   43  H   UNL     1       1.845   1.771  -1.615  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.981   2.412   1.477  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.330   2.591   0.769  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.631  -0.470  -1.930  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.611   0.876  -1.207  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.049  -1.783   0.705  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.225   0.965   2.314  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.253  -0.785   1.990  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.758   1.285  -0.050  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.920   1.074   1.526  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.948  -0.676   1.202  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.470   1.512  -0.873  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.497  -0.238  -1.197  1.00  0.00           H  
HETATM   56  H   UNL     1       0.870  -1.242   1.264  1.00  0.00           H  
HETATM   57  H   UNL     1       1.329  -1.696  -0.396  1.00  0.00           H  
HETATM   58  H   UNL     1       3.230  -2.111   1.092  1.00  0.00           H  
HETATM   59  H   UNL     1       3.142  -0.445   1.720  1.00  0.00           H  
HETATM   60  H   UNL     1       6.635  -3.057   0.988  1.00  0.00           H  
HETATM   61  H   UNL     1       9.678  -0.315   2.137  1.00  0.00           H  
HETATM   62  H   UNL     1       9.462   4.036  -1.161  1.00  0.00           H  
HETATM   63  H   UNL     1       7.931   4.718  -0.562  1.00  0.00           H  
HETATM   64  H   UNL     1       9.232   4.310   0.582  1.00  0.00           H  
HETATM   65  H   UNL     1       3.765   1.480  -0.120  1.00  0.00           H  
HETATM   66  H   UNL     1       4.186   0.844  -1.731  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.980  -0.285  -2.637  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.903   1.856   0.936  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.557   1.686   1.655  1.00  0.00           H  
CONECT    1   10   10   16   17                                       
CONECT    2   21   20    9   38                                       
CONECT    3   22   23   32                                            
CONECT    4   27   27   26   39                                       
CONECT    5    8    6    6   27                                       
CONECT    6   28    5    5   25                                       
CONECT    7   29   28   28   40                                       
CONECT    8   29   29    5   41                                       
CONECT    9    2   32   42   43                                       
CONECT   10   11    1    1   44                                       
CONECT   11   33   33   10   45                                       
CONECT   12   34   34   35   46                                       
CONECT   13   36   35   35   47                                       
CONECT   14   15                                                      
CONECT   15   33   16   16   14                                       
CONECT   16   15   15    1   48                                       
CONECT   17   18    1   49   50                                       
CONECT   18   19   17   51                                            
CONECT   19   20   18   52   53                                       
CONECT   20    2   19   54   55                                       
CONECT   21   22    2   56   57                                       
CONECT   22   21    3   58   59                                       
CONECT   23   25   24   24    3                                       
CONECT   23   31   31                                                 
CONECT   24   23   23                                                 
CONECT   25    6   26   26   23                                       
CONECT   26   25   25    4   60                                       
CONECT   27    5    4    4   61                                       
CONECT   28    7    7    6                                            
CONECT   29   30    8    8    7                                       
CONECT   30   29   62   63   64                                       
CONECT   31   23   23                                                 
CONECT   32    3    9   65   66                                       
CONECT   33   11   11   34   15                                       
CONECT   34   37   33   12   12                                       
CONECT   35   13   13   12   67                                       
CONECT   36   37   37   13   68                                       
CONECT   37   36   36   34   69                                       
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
