COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.560  -0.147   0.399  1.00  0.00           N  
HETATM    2  N   UNL     1       5.576  -1.782   2.070  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.702  -0.423   1.553  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.631   0.575   1.099  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.488   0.701   0.113  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.372   0.212  -0.553  1.00  0.00           C  
HETATM    7  C   UNL     1       0.684   1.055  -0.840  1.00  0.00           C  
HETATM    8  C   UNL     1       2.899   0.019  -0.558  1.00  0.00           C  
HETATM    9  C   UNL     1       6.867  -1.673   1.864  1.00  0.00           C  
HETATM   10  C   UNL     1       8.721  -1.017   0.392  1.00  0.00           C  
HETATM   11  C   UNL     1       8.210  -0.104  -1.767  1.00  0.00           C  
HETATM   12  C   UNL     1       0.632   2.384  -0.464  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.479   2.875   0.200  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.539   2.037   0.489  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.408  -1.189   1.264  1.00  0.00           O  
HETATM   16  S   UNL     1      -6.746  -1.357   0.018  1.00  0.00           S  
HETATM   17  O   UNL     1      -6.827  -2.584  -0.695  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.094   0.042  -1.082  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.566   0.011  -1.496  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.139  -1.204   0.386  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.061  -0.792  -0.822  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.109  -1.845  -0.446  1.00  0.00           C  
HETATM   23 CL   UNL     1      -0.540   4.545   0.670  1.00  0.00          Cl  
HETATM   24  C   UNL     1       1.896   0.524  -1.562  1.00  0.00           C  
HETATM   25  O   UNL     1       2.654   0.084   0.628  1.00  0.00           O  
HETATM   26  N   UNL     1       4.068  -0.504  -0.977  1.00  0.00           N  
HETATM   27  C   UNL     1       5.036  -0.887  -0.046  1.00  0.00           C  
HETATM   28  C   UNL     1       6.411  -0.743  -0.333  1.00  0.00           C  
HETATM   29  C   UNL     1       6.869  -0.218  -1.548  1.00  0.00           C  
HETATM   30  C   UNL     1       9.131  -0.502  -0.800  1.00  0.00           C  
HETATM   31  C   UNL     1       7.347  -1.149   0.653  1.00  0.00           C  
HETATM   32  C   UNL     1       4.671  -1.414   1.175  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.285  -1.091   2.306  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.551   0.118   1.974  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.218   1.086   1.968  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.077   1.306   0.425  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.329  -0.826  -0.846  1.00  0.00           H  
HETATM   38  H   UNL     1       7.563  -1.988   2.627  1.00  0.00           H  
HETATM   39  H   UNL     1       9.446  -1.321   1.132  1.00  0.00           H  
HETATM   40  H   UNL     1       8.563   0.301  -2.704  1.00  0.00           H  
HETATM   41  H   UNL     1       1.459   3.041  -0.689  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.408   2.422   1.003  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.883   0.976  -0.560  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.465  -0.028  -1.969  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.195   0.081  -0.609  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.776   0.852  -2.157  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.777  -0.922  -2.018  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.515  -0.042  -1.469  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.234  -1.273  -1.345  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.634  -2.651   0.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.567  -2.246  -1.350  1.00  0.00           H  
HETATM   52  H   UNL     1       1.598  -0.292  -2.220  1.00  0.00           H  
HETATM   53  H   UNL     1       2.344   1.322  -2.154  1.00  0.00           H  
HETATM   54  H   UNL     1       4.237  -0.615  -1.926  1.00  0.00           H  
HETATM   55  H   UNL     1       6.166   0.095  -2.305  1.00  0.00           H  
HETATM   56  H   UNL     1      10.187  -0.401  -1.000  1.00  0.00           H  
HETATM   57  H   UNL     1       3.623  -1.530   1.407  1.00  0.00           H  
CONECT    1    5   21    4                                            
CONECT    2    9   32   32                                            
CONECT    3    4   20   33   34                                       
CONECT    4    1    3   35   36                                       
CONECT    5    6    6   14    1                                       
CONECT    6    7    5    5   37                                       
CONECT    7   24   12   12    6                                       
CONECT    8   26   24   25   25                                       
CONECT    9   31   31    2   38                                       
CONECT   10   30   30   31   39                                       
CONECT   11   30   29   29   40                                       
CONECT   12    7    7   13   41                                       
CONECT   13   12   23   14   14                                       
CONECT   14   13   13    5   42                                       
CONECT   15   16   16                                                 
CONECT   16   20   17   17   15                                       
CONECT   16   15   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   19   43   44                                       
CONECT   19   18   45   46   47                                       
CONECT   20   22    3   16                                            
CONECT   21    1   22   48   49                                       
CONECT   22   21   20   50   51                                       
CONECT   23   13                                                      
CONECT   24    8    7   52   53                                       
CONECT   25    8    8                                                 
CONECT   26   27    8   54                                            
CONECT   27   28   28   32   26                                       
CONECT   28   31   29   27   27                                       
CONECT   29   11   11   28   55                                       
CONECT   30   10   10   11   56                                       
CONECT   31   10    9    9   28                                       
CONECT   32    2    2   27   57                                       
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
