COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.309  -1.624   0.454  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.873  -1.613   1.766  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.602  -1.162   2.080  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.758  -0.717   1.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.201  -0.730  -0.267  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.478  -1.191  -0.565  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.397  -0.230   1.383  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.642   0.512   0.354  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.087   0.497  -0.985  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.300  -0.257  -1.342  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.559  -0.490  -2.507  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.906  -0.437   2.476  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.498   1.225   0.695  1.00  0.00           C  
HETATM   14  C   UNL     1       0.206   1.920  -0.284  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.228   1.908  -1.607  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.374   1.197  -1.963  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.795   1.186  -3.252  1.00  0.00           O  
HETATM   18  O   UNL     1       0.467   2.591  -2.554  1.00  0.00           O  
HETATM   19  N   UNL     1       1.352   2.634   0.062  1.00  0.00           N  
HETATM   20  S   UNL     1       2.368   2.051   1.233  1.00  0.00           S  
HETATM   21  O   UNL     1       3.502   2.908   1.243  1.00  0.00           O  
HETATM   22  O   UNL     1       1.564   1.812   2.380  1.00  0.00           O  
HETATM   23  C   UNL     1       2.941   0.476   0.689  1.00  0.00           C  
HETATM   24  C   UNL     1       4.094   0.384  -0.068  1.00  0.00           C  
HETATM   25  C   UNL     1       4.545  -0.849  -0.496  1.00  0.00           C  
HETATM   26  C   UNL     1       3.839  -1.998  -0.164  1.00  0.00           C  
HETATM   27  C   UNL     1       2.681  -1.903   0.597  1.00  0.00           C  
HETATM   28  C   UNL     1       2.239  -0.667   1.026  1.00  0.00           C  
HETATM   29  N   UNL     1       4.293  -3.247  -0.595  1.00  0.00           N  
HETATM   30  C   UNL     1       5.571  -3.358  -1.301  1.00  0.00           C  
HETATM   31  C   UNL     1       3.489  -4.446  -0.341  1.00  0.00           C  
HETATM   32  H   UNL     1      -7.303  -1.977   0.222  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.529  -1.957   2.552  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.268  -1.156   3.107  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.824  -1.203  -1.588  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.156   1.239   1.719  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.424   0.466  -3.780  1.00  0.00           H  
HETATM   38  H   UNL     1       1.161   2.072  -2.983  1.00  0.00           H  
HETATM   39  H   UNL     1       1.555   3.472  -0.382  1.00  0.00           H  
HETATM   40  H   UNL     1       4.642   1.278  -0.327  1.00  0.00           H  
HETATM   41  H   UNL     1       5.445  -0.919  -1.088  1.00  0.00           H  
HETATM   42  H   UNL     1       2.130  -2.795   0.857  1.00  0.00           H  
HETATM   43  H   UNL     1       1.341  -0.592   1.622  1.00  0.00           H  
HETATM   44  H   UNL     1       6.372  -3.520  -0.580  1.00  0.00           H  
HETATM   45  H   UNL     1       5.532  -4.199  -1.994  1.00  0.00           H  
HETATM   46  H   UNL     1       5.761  -2.439  -1.855  1.00  0.00           H  
HETATM   47  H   UNL     1       2.625  -4.181   0.269  1.00  0.00           H  
HETATM   48  H   UNL     1       3.151  -4.864  -1.289  1.00  0.00           H  
HETATM   49  H   UNL     1       4.094  -5.183   0.186  1.00  0.00           H  
CONECT    1    2    2    6   32                                       
CONECT    2    3    1    1   33                                       
CONECT    3    4    4    2   34                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    1   35                                       
CONECT    7   12   12    8    4                                       
CONECT    8   13    7    9    9                                       
CONECT    9    8    8   16   10                                       
CONECT   10    9    5   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    7    7                                                 
CONECT   13   14   14    8   36                                       
CONECT   14   19   13   13   15                                       
CONECT   15   14   18   16   16                                       
CONECT   16   15   15    9   17                                       
CONECT   17   16   37                                                 
CONECT   18   15   38                                                 
CONECT   19   20   14   39                                            
CONECT   20   21   21   22   22                                       
CONECT   20   19   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   28   28   24                                       
CONECT   24   23   25   25   40                                       
CONECT   25   24   24   26   41                                       
CONECT   26   27   27   25   29                                       
CONECT   27   28   26   26   42                                       
CONECT   28   23   23   27   43                                       
CONECT   29   26   31   30                                            
CONECT   30   29   44   45   46                                       
CONECT   31   29   47   48   49                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   30                                                      
CONECT   45   30                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
