COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.553  -3.730   0.862  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.252  -2.536   0.938  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.727  -1.388   0.386  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.498  -1.406  -0.259  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.789  -2.615  -0.331  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.323  -3.769   0.236  1.00  0.00           C  
HETATM    7  C   UNL     1       0.528  -2.662  -1.008  1.00  0.00           C  
HETATM    8  C   UNL     1       2.860  -2.023  -1.149  1.00  0.00           C  
HETATM    9  C   UNL     1       1.633  -1.957  -0.488  1.00  0.00           C  
HETATM   10  C   UNL     1       4.347   0.256   1.477  1.00  0.00           C  
HETATM   11  C   UNL     1       5.106   2.135   0.079  1.00  0.00           C  
HETATM   12  O   UNL     1       5.996   1.518  -0.466  1.00  0.00           O  
HETATM   13  C   UNL     1       4.756   3.584  -0.181  1.00  0.00           C  
HETATM   14  C   UNL     1       3.369   2.515   1.461  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.179  -0.176  -0.747  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.305   4.155  -1.422  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.801   4.454  -1.283  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.877   3.452   0.924  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.384   3.111   0.875  1.00  0.00           C  
HETATM   20 CL   UNL     1      -3.219  -5.174   1.559  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.707  -3.410  -2.169  1.00  0.00           C  
HETATM   22  C   UNL     1       1.954  -3.429  -2.770  1.00  0.00           C  
HETATM   23  N   UNL     1       2.965  -2.761  -2.271  1.00  0.00           N  
HETATM   24  C   UNL     1       3.877  -1.233  -0.477  1.00  0.00           C  
HETATM   25  C   UNL     1       3.470  -0.617   0.618  1.00  0.00           C  
HETATM   26  S   UNL     1       1.775  -0.934   0.935  1.00  0.00           S  
HETATM   27  N   UNL     1       4.273   1.640   1.003  1.00  0.00           N  
HETATM   28  C   UNL     1       3.568   3.845   0.767  1.00  0.00           C  
HETATM   29  O   UNL     1       2.524   2.280   2.297  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.963   0.820  -0.069  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.238   0.039   0.328  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.298   1.959  -0.998  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.964   1.910  -2.163  1.00  0.00           O  
HETATM   34  N   UNL     1      -2.968   3.032  -0.534  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.125   4.665   0.134  1.00  0.00           N  
HETATM   36  H   UNL     1      -4.212  -2.505   1.431  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.774  -4.698   0.183  1.00  0.00           H  
HETATM   38  H   UNL     1       4.006   0.207   2.512  1.00  0.00           H  
HETATM   39  H   UNL     1       5.378  -0.094   1.418  1.00  0.00           H  
HETATM   40  H   UNL     1       5.596   4.232   0.068  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.080   3.885  -2.454  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.727   5.034  -1.137  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.047   5.352  -1.850  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.378   3.612  -1.666  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.453   2.624   0.510  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.178   3.623   1.958  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.814   3.890   1.382  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.210   2.153   1.365  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.114  -3.967  -2.594  1.00  0.00           H  
HETATM   50  H   UNL     1       2.097  -4.008  -3.671  1.00  0.00           H  
HETATM   51  H   UNL     1       4.890  -1.158  -0.843  1.00  0.00           H  
HETATM   52  H   UNL     1       3.818   4.622   1.490  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.442   1.185   0.816  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.012   0.144  -0.432  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.605   0.361   1.303  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.615   5.451   0.508  1.00  0.00           H  
HETATM   57  H   UNL     1       4.460   3.726  -1.221  1.00  0.00           H  
HETATM   58  H   UNL     1       2.679   4.119   0.199  1.00  0.00           H  
CONECT    1    2   20    6    6                                       
CONECT    2    3    3    1   36                                       
CONECT    3   31    2    2    4                                       
CONECT    4    3   15    5    5                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   37                                       
CONECT    7    5   21   21    9                                       
CONECT    8    9    9   23   24                                       
CONECT    9    7   26    8    8                                       
CONECT   10   25   27   38   39                                       
CONECT   11   13   27   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   28   11   40   57                                       
CONECT   14   29   29   28   27                                       
CONECT   15   30    4                                                 
CONECT   16   34   17   41   42                                       
CONECT   17   16   35   43   44                                       
CONECT   18   19   35   45   46                                       
CONECT   19   34   18   47   48                                       
CONECT   20    1                                                      
CONECT   21    7    7   22   49                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22    8                                            
CONECT   24    8   25   25   51                                       
CONECT   25   26   24   24   10                                       
CONECT   26    9   25                                                 
CONECT   27   14   10   11                                            
CONECT   28   14   13   52   58                                       
CONECT   29   14   14                                                 
CONECT   30   31   32   15   53                                       
CONECT   31   30    3   54   55                                       
CONECT   32   33   33   30   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   16   19                                            
CONECT   35   17   18   56                                            
CONECT   36    2                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   35                                                      
CONECT   57   13                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
