COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.331   3.043  -0.266  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.543   1.866  -0.031  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.641   1.283  -0.543  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.916  -0.046  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.052  -0.650  -0.831  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.004   0.147  -1.686  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.303  -1.980  -0.572  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.435  -2.725   0.214  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.732  -4.178   0.483  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.314  -2.154   0.745  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.038  -0.805   0.495  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.846  -0.161   1.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.628   1.148   0.769  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.410   1.842   1.323  1.00  0.00           C  
HETATM   15  N   UNL     1       0.665   1.810   0.328  1.00  0.00           N  
HETATM   16  C   UNL     1       0.793   2.896  -0.647  1.00  0.00           C  
HETATM   17  C   UNL     1       1.699   3.989  -0.078  1.00  0.00           C  
HETATM   18  O   UNL     1       3.021   3.473   0.088  1.00  0.00           O  
HETATM   19  C   UNL     1       1.536   0.783   0.310  1.00  0.00           C  
HETATM   20  S   UNL     1       1.387  -0.486   1.450  1.00  0.00           S  
HETATM   21  N   UNL     1       2.526   0.753  -0.605  1.00  0.00           N  
HETATM   22  C   UNL     1       3.500  -0.252  -0.552  1.00  0.00           C  
HETATM   23  C   UNL     1       3.931  -0.863  -1.721  1.00  0.00           C  
HETATM   24  C   UNL     1       4.892  -1.854  -1.668  1.00  0.00           C  
HETATM   25  C   UNL     1       5.425  -2.239  -0.447  1.00  0.00           C  
HETATM   26  O   UNL     1       6.367  -3.218  -0.395  1.00  0.00           O  
HETATM   27  C   UNL     1       4.995  -1.628   0.722  1.00  0.00           C  
HETATM   28  C   UNL     1       4.038  -0.634   0.670  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.247   1.804  -1.092  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.701   0.075  -2.730  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.013  -0.248  -1.571  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.985   1.191  -1.373  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.186  -2.447  -0.984  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.335  -4.264   1.387  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.278  -4.600  -0.360  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.796  -4.721   0.619  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.643  -2.740   1.356  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.153  -0.716   1.664  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.657   2.877   1.558  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.082   1.332   2.229  1.00  0.00           H  
HETATM   41  H   UNL     1       1.227   2.507  -1.569  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.192   3.313  -0.857  1.00  0.00           H  
HETATM   43  H   UNL     1       1.723   4.835  -0.765  1.00  0.00           H  
HETATM   44  H   UNL     1       1.312   4.315   0.887  1.00  0.00           H  
HETATM   45  H   UNL     1       3.651   4.113   0.446  1.00  0.00           H  
HETATM   46  H   UNL     1       2.563   1.429  -1.300  1.00  0.00           H  
HETATM   47  H   UNL     1       3.516  -0.564  -2.672  1.00  0.00           H  
HETATM   48  H   UNL     1       5.228  -2.330  -2.578  1.00  0.00           H  
HETATM   49  H   UNL     1       6.004  -4.109  -0.297  1.00  0.00           H  
HETATM   50  H   UNL     1       5.410  -1.928   1.673  1.00  0.00           H  
HETATM   51  H   UNL     1       3.703  -0.159   1.580  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   13    3    1    1                                       
CONECT    3    4    2   29                                            
CONECT    4   11   11    5    3                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5   30   31   32                                       
CONECT    7    8    5    5   33                                       
CONECT    8    9   10   10    7                                       
CONECT    9    8   34   35   36                                       
CONECT   10    8    8   11   37                                       
CONECT   11   10   12    4    4                                       
CONECT   12   11   13   13   38                                       
CONECT   13   12   12   14    2                                       
CONECT   14   15   13   39   40                                       
CONECT   15   19   14   16                                            
CONECT   16   15   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   45                                                 
CONECT   19   21   20   20   15                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   46                                            
CONECT   22   28   28   23   21                                       
CONECT   23   24   24   22   47                                       
CONECT   24   25   23   23   48                                       
CONECT   25   26   27   27   24                                       
CONECT   26   25   49                                                 
CONECT   27   25   25   28   50                                       
CONECT   28   27   22   22   51                                       
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
