COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.301  -0.956  -0.393  1.00  0.00           C  
HETATM    2  C   UNL     1       7.413  -0.300  -0.887  1.00  0.00           C  
HETATM    3  C   UNL     1       7.684   0.997  -0.489  1.00  0.00           C  
HETATM    4  C   UNL     1       6.840   1.637   0.403  1.00  0.00           C  
HETATM    5  C   UNL     1       5.728   0.979   0.896  1.00  0.00           C  
HETATM    6  C   UNL     1       5.457  -0.315   0.494  1.00  0.00           C  
HETATM    7  C   UNL     1       4.245  -1.032   1.032  1.00  0.00           C  
HETATM    8  C   UNL     1       3.048  -0.768   0.116  1.00  0.00           C  
HETATM    9  N   UNL     1       1.885  -1.524   0.599  1.00  0.00           N  
HETATM   10  C   UNL     1       2.112  -2.971   0.482  1.00  0.00           C  
HETATM   11  C   UNL     1       2.245  -3.348  -0.995  1.00  0.00           C  
HETATM   12  C   UNL     1       2.437  -4.861  -1.120  1.00  0.00           C  
HETATM   13  C   UNL     1       0.664  -1.123  -0.112  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.562  -1.575   0.685  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.827  -1.006   0.041  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.960  -1.330   0.849  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.173  -0.894   0.415  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.269  -0.175  -0.767  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.500   0.268  -1.209  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.643  -0.007  -0.469  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.546  -0.727   0.714  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.315  -1.174   1.151  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.891   0.442  -0.916  1.00  0.00           N  
HETATM   24  S   UNL     1      -8.623   1.728  -0.173  1.00  0.00           S  
HETATM   25  C   UNL     1      -7.454   3.099  -0.386  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.799   1.952  -0.938  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.699   1.346   1.194  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.629  -3.003   0.686  1.00  0.00           O  
HETATM   29 CL   UNL     1       7.183   3.262   0.908  1.00  0.00          Cl  
HETATM   30 CL   UNL     1       9.080   1.821  -1.109  1.00  0.00          Cl  
HETATM   31  H   UNL     1       6.090  -1.969  -0.703  1.00  0.00           H  
HETATM   32  H   UNL     1       8.071  -0.800  -1.582  1.00  0.00           H  
HETATM   33  H   UNL     1       5.070   1.478   1.592  1.00  0.00           H  
HETATM   34  H   UNL     1       4.444  -2.103   1.070  1.00  0.00           H  
HETATM   35  H   UNL     1       4.022  -0.667   2.034  1.00  0.00           H  
HETATM   36  H   UNL     1       2.816   0.297   0.119  1.00  0.00           H  
HETATM   37  H   UNL     1       3.291  -1.084  -0.899  1.00  0.00           H  
HETATM   38  H   UNL     1       3.027  -3.240   1.009  1.00  0.00           H  
HETATM   39  H   UNL     1       1.270  -3.507   0.919  1.00  0.00           H  
HETATM   40  H   UNL     1       1.342  -3.051  -1.529  1.00  0.00           H  
HETATM   41  H   UNL     1       3.106  -2.836  -1.425  1.00  0.00           H  
HETATM   42  H   UNL     1       2.531  -5.129  -2.172  1.00  0.00           H  
HETATM   43  H   UNL     1       3.339  -5.158  -0.586  1.00  0.00           H  
HETATM   44  H   UNL     1       1.576  -5.373  -0.691  1.00  0.00           H  
HETATM   45  H   UNL     1       0.646  -0.039  -0.221  1.00  0.00           H  
HETATM   46  H   UNL     1       0.648  -1.588  -1.098  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.482  -1.214   1.710  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.737   0.078  -0.041  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.954  -1.436  -0.953  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.380   0.039  -1.342  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.575   0.828  -2.129  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.434  -0.942   1.290  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.240  -1.738   2.069  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.327  -0.001  -1.661  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.362   3.336  -1.446  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.819   3.974   0.152  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.480   2.810   0.007  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.702  -3.394  -0.195  1.00  0.00           H  
CONECT    1    6    6    2   31                                       
CONECT    2    3    3    1   32                                       
CONECT    3    4   30    2    2                                       
CONECT    4   29    5    5    3                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    1    1                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   13   10                                            
CONECT   10    9   11   38   39                                       
CONECT   11   12   10   40   41                                       
CONECT   12   11   42   43   44                                       
CONECT   13   14    9   45   46                                       
CONECT   14   28   15   13   47                                       
CONECT   15   16   14   48   49                                       
CONECT   16   17   15                                                 
CONECT   17   18   16   22   22                                       
CONECT   18   19   19   17   50                                       
CONECT   19   18   18   20   51                                       
CONECT   20   19   23   21   21                                       
CONECT   21   20   20   22   52                                       
CONECT   22   17   17   21   53                                       
CONECT   23   20   24   54                                            
CONECT   24   23   26   26   27                                       
CONECT   24   27   25                                                 
CONECT   25   24   55   56   57                                       
CONECT   26   24   24                                                 
CONECT   27   24   24                                                 
CONECT   28   14   58                                                 
CONECT   29    4                                                      
CONECT   30    3                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
