COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.827  -0.527  -0.484  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.776   0.064  -0.075  1.00  0.00           N  
HETATM    3  C   UNL     1       2.199  -0.842  -0.885  1.00  0.00           C  
HETATM    4  C   UNL     1       1.812   0.369  -0.313  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.498  -0.272  -0.040  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.719  -0.856   0.104  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.918   0.349  -0.067  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.202   2.020   1.228  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.619   1.388  -1.563  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.557  -2.961   0.486  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.963  -2.498   0.358  1.00  0.00           C  
HETATM   12  O   UNL     1       8.189  -0.061  -0.128  1.00  0.00           O  
HETATM   13  S   UNL     1       6.931   0.552   0.116  1.00  0.00           S  
HETATM   14  O   UNL     1       6.585   1.785  -0.500  1.00  0.00           O  
HETATM   15  C   UNL     1       6.586   0.611   1.896  1.00  0.00           C  
HETATM   16  C   UNL     1       4.467  -0.234  -0.431  1.00  0.00           C  
HETATM   17  N   UNL     1       4.065   0.913   0.095  1.00  0.00           N  
HETATM   18  C   UNL     1       2.786   1.230   0.170  1.00  0.00           C  
HETATM   19  C   UNL     1       3.547  -1.143  -0.942  1.00  0.00           C  
HETATM   20  N   UNL     1       0.456   0.714  -0.229  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.095  -1.521   0.171  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.327  -2.194   0.330  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.556  -2.134   0.360  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.082  -0.839   0.125  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.750   0.153  -1.245  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.819   1.373  -0.655  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.604   2.208   0.619  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.754   0.583   1.208  1.00  0.00           C  
HETATM   29  H   UNL     1       6.128  -1.362  -0.875  1.00  0.00           H  
HETATM   30  H   UNL     1       1.462  -1.532  -1.270  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.272   1.212  -0.230  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.488   2.620   0.664  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.217   2.369   2.260  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.041   2.296  -1.392  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.942   1.350  -2.603  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.628  -4.022   0.672  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.627  -3.510   0.529  1.00  0.00           H  
HETATM   38  H   UNL     1       6.715  -0.383   2.324  1.00  0.00           H  
HETATM   39  H   UNL     1       7.274   1.306   2.377  1.00  0.00           H  
HETATM   40  H   UNL     1       5.561   0.946   2.056  1.00  0.00           H  
HETATM   41  H   UNL     1       2.494   2.170   0.614  1.00  0.00           H  
HETATM   42  H   UNL     1       3.881  -2.077  -1.369  1.00  0.00           H  
HETATM   43  H   UNL     1       0.186   1.642  -0.304  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.107  -0.055  -2.101  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.402  -0.704  -1.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.676   1.772  -1.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.033   0.343  -0.370  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.350   1.918   1.359  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.744   3.262   0.377  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.625  -0.072   1.200  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.144   0.377   2.088  1.00  0.00           H  
CONECT    1   13   16   29                                            
CONECT    2    6    6    5                                            
CONECT    3   19   19    4   30                                       
CONECT    4    3   18   18   20                                       
CONECT    5    2   20   21   21                                       
CONECT    6    2    2   24   22                                       
CONECT    7   25   28   24   31                                       
CONECT    8   27   28   32   33                                       
CONECT    9   26   25   34   35                                       
CONECT   10   23   23   22   36                                       
CONECT   11   22   22   21   37                                       
CONECT   12   13   13                                                 
CONECT   13    1   12   12   14                                       
CONECT   13   14   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   38   39   40                                       
CONECT   16    1   19   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18    4    4   17   41                                       
CONECT   19    3    3   16   42                                       
CONECT   20    4    5   43                                            
CONECT   21    5    5   11                                            
CONECT   22    6   10   11   11                                       
CONECT   23   10   10   24                                            
CONECT   24    6    7   23                                            
CONECT   25    7    9   44   45                                       
CONECT   26    9   27   46   47                                       
CONECT   27    8   26   48   49                                       
CONECT   28    7    8   50   51                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
