COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.451   0.076  -0.787  1.00  0.00           C  
HETATM    2  C   UNL     1       4.353  -1.442  -0.679  1.00  0.00           C  
HETATM    3  C   UNL     1       5.339  -0.514  -0.017  1.00  0.00           C  
HETATM    4  C   UNL     1       5.626   0.712  -0.589  1.00  0.00           C  
HETATM    5  C   UNL     1       6.530   1.563   0.018  1.00  0.00           C  
HETATM    6  C   UNL     1       7.147   1.189   1.197  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.982  -1.439  -0.219  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.430   1.015  -0.061  1.00  0.00           O  
HETATM    9  S   UNL     1      -5.724  -0.155   0.331  1.00  0.00           S  
HETATM   10  N   UNL     1      -5.929  -0.298   1.968  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.017   0.175   0.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.135  -0.874  -0.141  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.797  -0.623  -0.366  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.565   1.482   0.005  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.230   1.747  -0.219  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.334   0.693  -0.403  1.00  0.00           C  
HETATM   17  C   UNL     1       0.098   0.970  -0.643  1.00  0.00           C  
HETATM   18  O   UNL     1       0.476   2.112  -0.820  1.00  0.00           O  
HETATM   19  N   UNL     1       0.986  -0.044  -0.666  1.00  0.00           N  
HETATM   20  C   UNL     1       0.677  -1.482  -0.574  1.00  0.00           C  
HETATM   21  C   UNL     1       2.038  -2.207  -0.620  1.00  0.00           C  
HETATM   22  N   UNL     1       3.002  -1.161  -0.176  1.00  0.00           N  
HETATM   23  C   UNL     1       5.952  -0.885   1.164  1.00  0.00           C  
HETATM   24  C   UNL     1       6.860  -0.036   1.769  1.00  0.00           C  
HETATM   25  H   UNL     1       2.739   0.139  -1.837  1.00  0.00           H  
HETATM   26  H   UNL     1       2.805   0.954  -0.246  1.00  0.00           H  
HETATM   27  H   UNL     1       4.378  -1.289  -1.758  1.00  0.00           H  
HETATM   28  H   UNL     1       4.618  -2.475  -0.452  1.00  0.00           H  
HETATM   29  H   UNL     1       5.143   1.004  -1.510  1.00  0.00           H  
HETATM   30  H   UNL     1       6.754   2.520  -0.429  1.00  0.00           H  
HETATM   31  H   UNL     1       7.854   1.854   1.671  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.808  -0.481   2.333  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.169  -0.197   2.563  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.494  -1.892  -0.112  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.109  -1.443  -0.511  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.260   2.297   0.147  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.879   2.768  -0.251  1.00  0.00           H  
HETATM   38  H   UNL     1       0.167  -1.698   0.365  1.00  0.00           H  
HETATM   39  H   UNL     1       0.058  -1.788  -1.418  1.00  0.00           H  
HETATM   40  H   UNL     1       2.047  -3.054   0.067  1.00  0.00           H  
HETATM   41  H   UNL     1       2.266  -2.533  -1.635  1.00  0.00           H  
HETATM   42  H   UNL     1       5.725  -1.841   1.614  1.00  0.00           H  
HETATM   43  H   UNL     1       7.343  -0.329   2.690  1.00  0.00           H  
CONECT    1   19   22   25   26                                       
CONECT    2   22    3   27   28                                       
CONECT    3    4    2   23   23                                       
CONECT    4    5    5    3   29                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5   24   24   31                                       
CONECT    7    9    9                                                 
CONECT    8    9    9                                                 
CONECT    9   11   10    8    8                                       
CONECT    9    7    7                                                 
CONECT   10    9   32   33                                            
CONECT   11   14   14   12    9                                       
CONECT   12   13   13   11   34                                       
CONECT   13   16   12   12   35                                       
CONECT   14   15   11   11   36                                       
CONECT   15   16   16   14   37                                       
CONECT   16   17   15   15   13                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17    1                                            
CONECT   20   21   19   38   39                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21    1    2                                            
CONECT   23    3    3   24   42                                       
CONECT   24    6    6   23   43                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
