COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.438  -2.161   0.196  1.00  0.00           O  
HETATM    2  S   UNL     1      -5.557  -1.086  -0.726  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.396  -1.223  -2.131  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.453   0.192  -0.191  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.081   0.265  -0.137  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.469   1.419   0.340  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.260   2.482   0.756  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.633   2.395   0.698  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.255   1.241   0.220  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.723   0.958   0.080  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.040  -0.367  -0.463  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.075   1.507   0.401  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.325   0.398   0.756  1.00  0.00           C  
HETATM   14  N   UNL     1       0.997   0.466   0.700  1.00  0.00           N  
HETATM   15  C   UNL     1       1.743  -0.581   1.035  1.00  0.00           C  
HETATM   16  C   UNL     1       1.115  -1.758   1.448  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.266  -1.786   1.492  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.948  -0.704   1.149  1.00  0.00           N  
HETATM   19  N   UNL     1       3.126  -0.506   0.975  1.00  0.00           N  
HETATM   20  C   UNL     1       3.937  -1.697   1.240  1.00  0.00           C  
HETATM   21  C   UNL     1       4.176  -2.453  -0.069  1.00  0.00           C  
HETATM   22  C   UNL     1       5.022  -3.697   0.208  1.00  0.00           C  
HETATM   23  O   UNL     1       5.246  -4.403  -1.014  1.00  0.00           O  
HETATM   24  C   UNL     1       3.747   0.704   0.661  1.00  0.00           C  
HETATM   25  C   UNL     1       4.091   1.589   1.665  1.00  0.00           C  
HETATM   26  C   UNL     1       4.709   2.794   1.359  1.00  0.00           C  
HETATM   27  C   UNL     1       4.989   3.128   0.054  1.00  0.00           C  
HETATM   28  C   UNL     1       4.652   2.254  -0.978  1.00  0.00           C  
HETATM   29  C   UNL     1       4.031   1.028  -0.678  1.00  0.00           C  
HETATM   30  N   UNL     1       4.794   2.297  -2.341  1.00  0.00           N  
HETATM   31  N   UNL     1       4.262   1.116  -2.872  1.00  0.00           N  
HETATM   32  C   UNL     1       3.813   0.364  -1.908  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.481  -0.571  -0.464  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.795   3.383   1.129  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.234   3.230   1.025  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.187   1.050   1.062  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.159   1.709  -0.578  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.918  -0.745  -0.633  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.632   2.345   0.194  1.00  0.00           H  
HETATM   40  H   UNL     1       1.694  -2.627   1.722  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.783  -2.681   1.806  1.00  0.00           H  
HETATM   42  H   UNL     1       4.894  -1.398   1.667  1.00  0.00           H  
HETATM   43  H   UNL     1       3.412  -2.345   1.942  1.00  0.00           H  
HETATM   44  H   UNL     1       3.219  -2.752  -0.496  1.00  0.00           H  
HETATM   45  H   UNL     1       4.701  -1.806  -0.771  1.00  0.00           H  
HETATM   46  H   UNL     1       5.979  -3.398   0.636  1.00  0.00           H  
HETATM   47  H   UNL     1       4.497  -4.345   0.911  1.00  0.00           H  
HETATM   48  H   UNL     1       5.777  -5.205  -0.913  1.00  0.00           H  
HETATM   49  H   UNL     1       3.878   1.341   2.694  1.00  0.00           H  
HETATM   50  H   UNL     1       4.973   3.476   2.154  1.00  0.00           H  
HETATM   51  H   UNL     1       5.469   4.068  -0.172  1.00  0.00           H  
HETATM   52  H   UNL     1       5.193   3.021  -2.849  1.00  0.00           H  
HETATM   53  H   UNL     1       3.353  -0.605  -2.028  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    2    3   11                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   33                                       
CONECT    6   12    5    5    7                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   11   36   37                                       
CONECT   11    2   10   38                                            
CONECT   12   13    6   39                                            
CONECT   13   18   18   14   12                                       
CONECT   14   15   15   13                                            
CONECT   15   16   19   14   14                                       
CONECT   16   17   17   15   40                                       
CONECT   17   16   16   18   41                                       
CONECT   18   17   13   13                                            
CONECT   19   24   15   20                                            
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   46   47                                       
CONECT   23   22   48                                                 
CONECT   24   25   25   29   19                                       
CONECT   25   26   24   24   49                                       
CONECT   26   27   27   25   50                                       
CONECT   27   26   26   28   51                                       
CONECT   28   27   30   29   29                                       
CONECT   29   28   28   24   32                                       
CONECT   30   28   31   52                                            
CONECT   31   30   32   32                                            
CONECT   32   29   31   31   53                                       
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
