COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.392  -1.916   0.312  1.00  0.00           C  
HETATM    2  C   UNL     1       2.997  -1.242  -0.553  1.00  0.00           C  
HETATM    3  C   UNL     1       5.100  -1.172   0.595  1.00  0.00           C  
HETATM    4  C   UNL     1       6.482   2.226   0.252  1.00  0.00           C  
HETATM    5  C   UNL     1       5.492   2.839  -0.516  1.00  0.00           C  
HETATM    6  C   UNL     1       4.242   0.800  -0.550  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.414  -0.808   2.219  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.135   1.076   0.746  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.947  -0.045   0.306  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.573   3.136   0.463  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.631  -4.083  -0.006  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.899  -2.679   0.006  1.00  0.00           C  
HETATM   13  S   UNL     1       1.577  -2.167  -1.037  1.00  0.00           S  
HETATM   14  O   UNL     1       2.029  -3.514  -1.061  1.00  0.00           O  
HETATM   15  O   UNL     1       1.128  -1.524  -2.222  1.00  0.00           O  
HETATM   16  C   UNL     1       3.992  -1.858   0.205  1.00  0.00           C  
HETATM   17  C   UNL     1       5.248   0.177   0.230  1.00  0.00           C  
HETATM   18  C   UNL     1       6.373   0.920   0.624  1.00  0.00           C  
HETATM   19 CL   UNL     1       7.874   3.142   0.740  1.00  0.00          Cl  
HETATM   20  C   UNL     1       4.389   2.149  -0.915  1.00  0.00           C  
HETATM   21  C   UNL     1       3.108   0.061  -0.930  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.926  -2.373   1.065  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.318  -3.252   1.803  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.411  -1.122   1.191  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.615  -0.136   1.546  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.165   0.617  -0.346  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.285   1.740   0.128  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.080   3.383   0.335  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.522   2.984  -1.077  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.128   1.596  -1.329  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.054   1.057  -0.734  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.764  -0.097  -0.986  1.00  0.00           O  
HETATM   33  H   UNL     1       0.171  -0.853   0.410  1.00  0.00           H  
HETATM   34  H   UNL     1       0.819  -2.285   1.245  1.00  0.00           H  
HETATM   35  H   UNL     1       5.863  -1.662   1.182  1.00  0.00           H  
HETATM   36  H   UNL     1       5.603   3.875  -0.798  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.735  -1.727   2.708  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.983  -0.131   2.957  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.628   1.774   1.412  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.395   0.694   0.886  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.299  -0.460  -0.468  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.256   3.337   1.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.036   3.794  -0.221  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.289  -4.425   0.831  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.279  -2.373  -0.969  1.00  0.00           H  
HETATM   46  H   UNL     1       3.881  -2.894   0.487  1.00  0.00           H  
HETATM   47  H   UNL     1       7.148   0.459   1.218  1.00  0.00           H  
HETATM   48  H   UNL     1       3.630   2.636  -1.510  1.00  0.00           H  
HETATM   49  H   UNL     1       2.329   0.525  -1.517  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.100  -0.846   0.876  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.324   0.189   2.308  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.664  -0.099  -0.998  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.841   1.478  -0.930  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.614   2.781   1.070  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.292   4.440   0.500  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.604   3.076  -1.160  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.043   3.637  -1.807  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.655   1.056  -1.938  1.00  0.00           H  
CONECT    1   13   12   33   34                                       
CONECT    2   13   21   21   16                                       
CONECT    3   16   16   17   35                                       
CONECT    4    5    5   18   19                                       
CONECT    5    4    4   20   36                                       
CONECT    6   21   20   20   17                                       
CONECT    7   24   25   37   38                                       
CONECT    8   25   26   27   39                                       
CONECT    9   24   26   40   41                                       
CONECT   10   27   28   42   43                                       
CONECT   11   12   44                                                 
CONECT   12    1   11   22   45                                       
CONECT   13    1    2   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16    2    3    3   46                                       
CONECT   17    3    6   18   18                                       
CONECT   18    4   17   17   47                                       
CONECT   19    4                                                      
CONECT   20    5    6    6   48                                       
CONECT   21    2    2    6   49                                       
CONECT   22   12   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24    7    9   22                                            
CONECT   25    7    8   50   51                                       
CONECT   26    8    9   52   53                                       
CONECT   27    8   10   31                                            
CONECT   28   10   29   54   55                                       
CONECT   29   28   30   56   57                                       
CONECT   30   29   31   58                                            
CONECT   31   27   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
