COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.904  -2.167   0.962  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.077  -0.980   0.271  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.987  -0.330  -0.272  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.714  -0.869  -0.125  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.544  -2.063   0.565  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.638  -2.705   1.111  1.00  0.00           C  
HETATM    7 CL   UNL     1      -9.277  -2.981   1.644  1.00  0.00          Cl  
HETATM    8  S   UNL     1      -4.321  -0.043  -0.817  1.00  0.00           S  
HETATM    9  C   UNL     1      -2.999  -1.180  -0.315  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.674  -0.661  -0.812  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.626   0.374  -1.443  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.543  -1.347  -0.556  1.00  0.00           N  
HETATM   13  C   UNL     1       0.745  -0.843  -1.039  1.00  0.00           C  
HETATM   14  C   UNL     1       1.305   0.168  -0.037  1.00  0.00           C  
HETATM   15  C   UNL     1       0.401   1.373   0.020  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.646   1.407   0.922  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.477   2.510   0.976  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.258   3.585   0.124  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.208   3.544  -0.784  1.00  0.00           C  
HETATM   20  C   UNL     1       0.621   2.441  -0.830  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.097   4.702   0.176  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.566   5.968   0.069  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.355   7.003   0.004  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.202   6.139   0.029  1.00  0.00           N  
HETATM   25  C   UNL     1       1.710  -1.991  -1.187  1.00  0.00           C  
HETATM   26  O   UNL     1       1.357  -3.119  -0.916  1.00  0.00           O  
HETATM   27  N   UNL     1       2.965  -1.764  -1.621  1.00  0.00           N  
HETATM   28  C   UNL     1       3.904  -2.879  -1.766  1.00  0.00           C  
HETATM   29  C   UNL     1       5.249  -2.353  -2.270  1.00  0.00           C  
HETATM   30  O   UNL     1       5.827  -1.498  -1.282  1.00  0.00           O  
HETATM   31  C   UNL     1       7.074  -1.041  -1.809  1.00  0.00           C  
HETATM   32  C   UNL     1       7.748  -0.116  -0.795  1.00  0.00           C  
HETATM   33  O   UNL     1       8.084  -0.860   0.378  1.00  0.00           O  
HETATM   34  C   UNL     1       8.707   0.054   1.283  1.00  0.00           C  
HETATM   35  C   UNL     1       9.088  -0.671   2.548  1.00  0.00           C  
HETATM   36  O   UNL     1       8.849  -1.855   2.663  1.00  0.00           O  
HETATM   37  N   UNL     1       9.694  -0.005   3.550  1.00  0.00           N  
HETATM   38  H   UNL     1      -9.067  -0.562   0.157  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.123   0.596  -0.811  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.556  -2.484   0.681  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.506  -3.631   1.651  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.187  -2.165  -0.741  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.976  -1.252   0.772  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.582  -2.175  -0.051  1.00  0.00           H  
HETATM   45  H   UNL     1       0.606  -0.358  -2.005  1.00  0.00           H  
HETATM   46  H   UNL     1       2.302   0.477  -0.351  1.00  0.00           H  
HETATM   47  H   UNL     1       1.361  -0.291   0.950  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.815   0.572   1.585  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.294   2.536   1.681  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.036   4.378  -1.449  1.00  0.00           H  
HETATM   51  H   UNL     1       1.440   2.411  -1.534  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.054   4.586   0.289  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.316   6.878  -0.049  1.00  0.00           H  
HETATM   54  H   UNL     1       0.172   7.031  -0.047  1.00  0.00           H  
HETATM   55  H   UNL     1       0.385   5.369   0.081  1.00  0.00           H  
HETATM   56  H   UNL     1       3.248  -0.861  -1.838  1.00  0.00           H  
HETATM   57  H   UNL     1       4.043  -3.364  -0.799  1.00  0.00           H  
HETATM   58  H   UNL     1       3.505  -3.600  -2.480  1.00  0.00           H  
HETATM   59  H   UNL     1       5.918  -3.191  -2.462  1.00  0.00           H  
HETATM   60  H   UNL     1       5.096  -1.791  -3.192  1.00  0.00           H  
HETATM   61  H   UNL     1       7.720  -1.896  -2.007  1.00  0.00           H  
HETATM   62  H   UNL     1       6.898  -0.496  -2.737  1.00  0.00           H  
HETATM   63  H   UNL     1       8.655   0.303  -1.231  1.00  0.00           H  
HETATM   64  H   UNL     1       7.066   0.692  -0.530  1.00  0.00           H  
HETATM   65  H   UNL     1       9.602   0.471   0.820  1.00  0.00           H  
HETATM   66  H   UNL     1       8.013   0.860   1.521  1.00  0.00           H  
HETATM   67  H   UNL     1       9.885   0.942   3.458  1.00  0.00           H  
HETATM   68  H   UNL     1       9.939  -0.472   4.365  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   38                                       
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   40                                       
CONECT    6    1    5    5   41                                       
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   44                                            
CONECT   13   12   14   25   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   18   49                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   50                                       
CONECT   20   15   19   19   51                                       
CONECT   21   18   22   52                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   53                                            
CONECT   24   22   54   55                                            
CONECT   25   13   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   56                                            
CONECT   28   27   29   57   58                                       
CONECT   29   28   30   59   60                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   61   62                                       
CONECT   32   31   33   63   64                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   65   66                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   67   68                                            
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
