COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.024  -2.551  -1.188  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.658  -1.740  -0.359  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.525  -0.825   0.118  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.840  -0.807  -0.339  1.00  0.00           C  
HETATM    5  S   UNL     1      -5.084   0.326   0.179  1.00  0.00           S  
HETATM    6  C   UNL     1      -6.240  -0.453  -0.900  1.00  0.00           C  
HETATM    7  S   UNL     1      -7.927   0.009  -1.114  1.00  0.00           S  
HETATM    8  C   UNL     1      -8.107   1.373  -0.014  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.069   1.782   0.701  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.162   2.800   1.535  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.354   3.479   1.694  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.466   3.082   0.963  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.337   2.016   0.091  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.613  -1.455  -1.530  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.340  -1.619  -1.219  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.387  -1.761   0.088  1.00  0.00           N  
HETATM   17  C   UNL     1       0.554  -2.760  -0.426  1.00  0.00           C  
HETATM   18  C   UNL     1       1.898  -2.569   0.229  1.00  0.00           C  
HETATM   19  N   UNL     1       2.819  -1.734  -0.163  1.00  0.00           N  
HETATM   20  N   UNL     1       2.339  -3.231   1.321  1.00  0.00           N  
HETATM   21  C   UNL     1       3.598  -2.772   1.597  1.00  0.00           C  
HETATM   22  C   UNL     1       3.885  -1.833   0.657  1.00  0.00           C  
HETATM   23  C   UNL     1       5.144  -1.054   0.554  1.00  0.00           C  
HETATM   24  C   UNL     1       6.172  -1.265   1.471  1.00  0.00           C  
HETATM   25  C   UNL     1       7.341  -0.540   1.372  1.00  0.00           C  
HETATM   26  C   UNL     1       5.303  -0.116  -0.464  1.00  0.00           C  
HETATM   27  C   UNL     1       6.475   0.606  -0.557  1.00  0.00           C  
HETATM   28  C   UNL     1       7.495   0.398   0.361  1.00  0.00           C  
HETATM   29  O   UNL     1       8.648   1.111   0.266  1.00  0.00           O  
HETATM   30  C   UNL     1       8.739   2.060  -0.798  1.00  0.00           C  
HETATM   31  C   UNL     1      10.078   2.749  -0.744  1.00  0.00           C  
HETATM   32  O   UNL     1      10.387   3.687  -1.653  1.00  0.00           O  
HETATM   33  O   UNL     1      10.873   2.458   0.118  1.00  0.00           O  
HETATM   34  H   UNL     1      11.258   4.101  -1.578  1.00  0.00           H  
HETATM   35  H   UNL     1       8.634   1.545  -1.753  1.00  0.00           H  
HETATM   36  H   UNL     1       7.945   2.799  -0.695  1.00  0.00           H  
HETATM   37  H   UNL     1       6.599   1.333  -1.346  1.00  0.00           H  
HETATM   38  H   UNL     1       4.510   0.046  -1.178  1.00  0.00           H  
HETATM   39  H   UNL     1       6.053  -1.994   2.259  1.00  0.00           H  
HETATM   40  H   UNL     1       8.138  -0.702   2.083  1.00  0.00           H  
HETATM   41  H   UNL     1       4.238  -3.091   2.406  1.00  0.00           H  
HETATM   42  H   UNL     1       1.853  -3.907   1.818  1.00  0.00           H  
HETATM   43  H   UNL     1       0.180  -3.760  -0.204  1.00  0.00           H  
HETATM   44  H   UNL     1       0.656  -2.642  -1.505  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.094  -1.115   0.749  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.233  -0.179   0.780  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.115  -2.086  -2.249  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.180   1.685  -0.496  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.409   3.598   1.069  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.420   4.310   2.380  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.295   3.105   2.102  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   16    3                                       
CONECT    3    2    4   46                                            
CONECT    4    3   15   15    5                                       
CONECT    5    4    6                                                 
CONECT    6    5   14   14    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   13    9    9                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   51                                       
CONECT   11   10   10   12   50                                       
CONECT   12   11   13   13   49                                       
CONECT   13    8   12   12   48                                       
CONECT   14    6    6   15   47                                       
CONECT   15    4    4   14                                            
CONECT   16    2   17   45                                            
CONECT   17   16   18   43   44                                       
CONECT   18   17   20   19   19                                       
CONECT   19   18   18   22                                            
CONECT   20   18   21   42                                            
CONECT   21   20   22   22   41                                       
CONECT   22   19   21   21   23                                       
CONECT   23   22   26   24   24                                       
CONECT   24   23   23   25   39                                       
CONECT   25   24   28   28   40                                       
CONECT   26   23   27   27   38                                       
CONECT   27   26   26   28   37                                       
CONECT   28   25   25   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   35   36                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   34                                                 
CONECT   33   31   31                                                 
CONECT   34   32                                                      
CONECT   35   30                                                      
CONECT   36   30                                                      
CONECT   37   27                                                      
CONECT   38   26                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   21                                                      
CONECT   42   20                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   16                                                      
CONECT   46    3                                                      
CONECT   47   14                                                      
CONECT   48   13                                                      
CONECT   49   12                                                      
CONECT   50   11                                                      
CONECT   51   10                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
