COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.048  -0.244   0.386  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.302  -0.985  -0.171  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.155   1.806  -0.537  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.480   0.422   1.446  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.005   0.792   1.296  1.00  0.00           C  
HETATM    6  C   UNL     1       0.726  -0.343   0.626  1.00  0.00           C  
HETATM    7  C   UNL     1       2.742  -1.329  -0.157  1.00  0.00           C  
HETATM    8  C   UNL     1       4.022  -3.497  -1.289  1.00  0.00           C  
HETATM    9  C   UNL     1       6.694  -2.199   0.895  1.00  0.00           C  
HETATM   10  C   UNL     1       4.764  -0.797   1.144  1.00  0.00           C  
HETATM   11  C   UNL     1       0.153   2.041   0.469  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.124  -0.547   0.751  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.043  -1.623   0.927  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.502  -1.051   0.870  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.566  -1.439   0.961  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.592  -0.502  -0.688  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.714  -0.859  -0.623  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.043  -1.971  -0.045  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.714  -0.591  -2.018  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.101   0.491   0.113  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.828   2.505  -0.379  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.611   3.657  -1.122  1.00  0.00           C  
HETATM   23  C   UNL     1       0.580   4.346  -1.015  1.00  0.00           C  
HETATM   24  C   UNL     1       1.350   2.739   0.579  1.00  0.00           C  
HETATM   25  C   UNL     1       1.564   3.886  -0.158  1.00  0.00           C  
HETATM   26 CL   UNL     1       3.063   4.749  -0.011  1.00  0.00          Cl  
HETATM   27  O   UNL     1       0.123  -1.344   0.302  1.00  0.00           O  
HETATM   28  C   UNL     1       4.076  -1.594   0.220  1.00  0.00           C  
HETATM   29  C   UNL     1       6.051  -1.104   1.469  1.00  0.00           C  
HETATM   30  C   UNL     1       6.056  -2.996  -0.007  1.00  0.00           C  
HETATM   31  C   UNL     1       4.729  -2.710  -0.365  1.00  0.00           C  
HETATM   32  N   UNL     1       2.780  -3.201  -1.594  1.00  0.00           N  
HETATM   33  C   UNL     1       2.137  -2.168  -1.069  1.00  0.00           C  
HETATM   34  H   UNL     1       2.517   0.581   0.586  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.373   1.677  -1.597  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.938   2.406  -0.075  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.567  -0.590   1.842  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.970   1.126   2.119  1.00  0.00           H  
HETATM   39  H   UNL     1       0.425   0.960   2.284  1.00  0.00           H  
HETATM   40  H   UNL     1       4.500  -4.350  -1.746  1.00  0.00           H  
HETATM   41  H   UNL     1       7.715  -2.420   1.170  1.00  0.00           H  
HETATM   42  H   UNL     1       4.277   0.055   1.595  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.948   0.365   1.322  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.390  -2.629   0.690  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.529  -1.569   1.887  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.544   0.505  -1.102  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.084  -1.209  -1.355  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.379   4.016  -1.791  1.00  0.00           H  
HETATM   49  H   UNL     1       0.743   5.241  -1.597  1.00  0.00           H  
HETATM   50  H   UNL     1       2.119   2.380   1.247  1.00  0.00           H  
HETATM   51  H   UNL     1       6.581  -0.489   2.181  1.00  0.00           H  
HETATM   52  H   UNL     1       6.567  -3.841  -0.443  1.00  0.00           H  
HETATM   53  H   UNL     1       1.115  -1.979  -1.362  1.00  0.00           H  
CONECT    1    7    6   34                                            
CONECT    2   17   13   16                                            
CONECT    3   20   21   35   36                                       
CONECT    4    5   20   37   38                                       
CONECT    5    6    4   11   39                                       
CONECT    6    1    5   27   27                                       
CONECT    7   28   28   33    1                                       
CONECT    8   31   31   32   40                                       
CONECT    9   30   30   29   41                                       
CONECT   10   29   29   28   42                                       
CONECT   11    5   24   24   21                                       
CONECT   12   13   16   14   43                                       
CONECT   13    2   12   44   45                                       
CONECT   14   12   15   15   15                                       
CONECT   15   14   14   14                                            
CONECT   16    2   12   46   47                                       
CONECT   17   19   19   20    2                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20    4   17    3                                            
CONECT   21   11    3   22   22                                       
CONECT   22   21   21   23   48                                       
CONECT   23   25   25   22   49                                       
CONECT   24   11   11   25   50                                       
CONECT   25   24   26   23   23                                       
CONECT   26   25                                                      
CONECT   27    6    6                                                 
CONECT   28   31   10    7    7                                       
CONECT   29    9   10   10   51                                       
CONECT   30    9    9   31   52                                       
CONECT   31   30    8    8   28                                       
CONECT   32    8   33   33                                            
CONECT   33   32   32    7   53                                       
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
