COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.920  -0.357  -0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.425   4.800   0.021  1.00  0.00           C  
HETATM    3  C   UNL     1       0.559  -0.458   0.083  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.673  -0.792   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.183   2.833  -0.804  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.055  -0.485   0.226  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.852   1.065   0.365  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.451   0.812   1.751  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.088   2.500  -0.029  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.403   4.150  -1.162  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.520   5.133  -0.754  1.00  0.00           C  
HETATM   12  N   UNL     1       4.273   1.778   0.203  1.00  0.00           N  
HETATM   13  N   UNL     1       1.734   0.271   0.123  1.00  0.00           N  
HETATM   14  C   UNL     1       4.165   0.414   0.042  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.623   0.046   0.192  1.00  0.00           N  
HETATM   16  C   UNL     1       6.137   3.510   0.332  1.00  0.00           C  
HETATM   17  C   UNL     1       5.587   2.114   0.186  1.00  0.00           C  
HETATM   18  O   UNL     1       2.958  -1.565  -0.143  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.448   0.805   0.398  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.209   3.484   0.383  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.992  -1.469   0.145  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.607  -2.806  -0.033  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.627  -3.865  -0.120  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.806  -3.582  -0.038  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.254  -5.149  -0.291  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.254  -3.128  -0.127  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.295  -2.126  -0.054  1.00  0.00           C  
HETATM   28  S   UNL     1       0.464  -2.200  -0.132  1.00  0.00           S  
HETATM   29  C   UNL     1       5.444  -0.094  -0.071  1.00  0.00           C  
HETATM   30 CL   UNL     1       5.878  -1.760  -0.290  1.00  0.00          Cl  
HETATM   31  C   UNL     1       6.325   0.991   0.017  1.00  0.00           C  
HETATM   32 CL   UNL     1       8.057   0.910  -0.070  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -3.736   5.568   0.340  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.868   2.064  -1.131  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.327   0.406  -0.361  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.522   1.011   1.726  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.280  -0.226   2.036  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.976   1.472   2.477  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.259   4.410  -1.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.687   6.161  -1.041  1.00  0.00           H  
HETATM   41  H   UNL     1       3.532   2.396   0.307  1.00  0.00           H  
HETATM   42  H   UNL     1       1.705   1.233   0.241  1.00  0.00           H  
HETATM   43  H   UNL     1       6.314   3.722   1.386  1.00  0.00           H  
HETATM   44  H   UNL     1       7.074   3.591  -0.218  1.00  0.00           H  
HETATM   45  H   UNL     1       5.419   4.227  -0.067  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.353   3.224   0.989  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.040  -1.219   0.217  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.959  -5.808  -0.342  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.953  -4.155  -0.271  1.00  0.00           H  
CONECT    1   18   18   14   13                                       
CONECT    2   20   11   11   33                                       
CONECT    3   28   13   15   15                                       
CONECT    4   27   27   15    6                                       
CONECT    5    9   10   10   34                                       
CONECT    6    4   21   21   19                                       
CONECT    7   19    8    9   35                                       
CONECT    8    7   36   37   38                                       
CONECT    9    7   20   20    5                                       
CONECT   10    5    5   11   39                                       
CONECT   11    2    2   10   40                                       
CONECT   12   17   14   41                                            
CONECT   13    1    3   42                                            
CONECT   14   12    1   29   29                                       
CONECT   15    3    3    4                                            
CONECT   16   17   43   44   45                                       
CONECT   17   16   12   31   31                                       
CONECT   18    1    1                                                 
CONECT   19    6    7                                                 
CONECT   20    9    9    2   46                                       
CONECT   21   22    6    6   47                                       
CONECT   22   26   26   23   21                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   48                                                 
CONECT   26   27   22   22   49                                       
CONECT   27   28   26    4    4                                       
CONECT   28   27    3                                                 
CONECT   29   31   14   14   30                                       
CONECT   30   29                                                      
CONECT   31   17   17   32   29                                       
CONECT   32   31                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
