COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.475   1.944   1.260  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.528   1.365  -1.340  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.603  -0.633  -0.922  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.149  -0.954  -0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       0.130   0.898   0.741  1.00  0.00           C  
HETATM    6  C   UNL     1       1.428   0.471   0.480  1.00  0.00           C  
HETATM    7  C   UNL     1       3.055  -1.339  -0.075  1.00  0.00           C  
HETATM    8  C   UNL     1       2.549   1.431   0.491  1.00  0.00           C  
HETATM    9  C   UNL     1       3.852   1.026  -0.083  1.00  0.00           C  
HETATM   10  C   UNL     1       4.099  -0.331  -0.360  1.00  0.00           C  
HETATM   11  C   UNL     1       5.323  -0.713  -0.900  1.00  0.00           C  
HETATM   12  C   UNL     1       6.045   1.578  -0.888  1.00  0.00           C  
HETATM   13  C   UNL     1       4.833   1.975  -0.351  1.00  0.00           C  
HETATM   14  O   UNL     1       2.404   2.541   0.964  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.914  -0.012   0.733  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.555   0.539   1.063  1.00  0.00           S  
HETATM   17  O   UNL     1      -3.089  -0.353   2.032  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.437   0.310  -0.320  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.626   0.317  -2.043  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.006   1.595  -1.672  1.00  0.00           C  
HETATM   21  C   UNL     1       6.288   0.244  -1.161  1.00  0.00           C  
HETATM   22  O   UNL     1       3.328  -2.524  -0.069  1.00  0.00           O  
HETATM   23  C   UNL     1       1.677  -0.890   0.202  1.00  0.00           C  
HETATM   24  C   UNL     1       0.619  -1.797   0.190  1.00  0.00           C  
HETATM   25  O   UNL     1       0.847  -3.108  -0.076  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.679  -1.350   0.466  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.713  -2.230   0.462  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.091   2.286  -0.955  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.995   1.056  -2.240  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.117  -1.549  -1.211  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.103  -0.191  -0.060  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.123  -1.566   0.341  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.676  -1.490  -1.384  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.063   1.939   0.954  1.00  0.00           H  
HETATM   35  H   UNL     1       5.520  -1.753  -1.114  1.00  0.00           H  
HETATM   36  H   UNL     1       6.806   2.316  -1.096  1.00  0.00           H  
HETATM   37  H   UNL     1       4.649   3.018  -0.140  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.567   0.456  -2.380  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.514   2.006  -0.800  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.088   2.295  -2.504  1.00  0.00           H  
HETATM   41  H   UNL     1       7.238  -0.052  -1.580  1.00  0.00           H  
HETATM   42  H   UNL     1       1.035  -3.641   0.708  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.136  -2.335  -0.401  1.00  0.00           H  
CONECT    1   16   16                                                 
CONECT    2   18   20   28   29                                       
CONECT    3   19    4   30   31                                       
CONECT    4    3   18   32   33                                       
CONECT    5   15    6    6   34                                       
CONECT    6    5    5   23    8                                       
CONECT    7   23   22   22   10                                       
CONECT    8    6    9   14   14                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9    7   11                                       
CONECT   11   10   21   21   35                                       
CONECT   12   21   13   13   36                                       
CONECT   13   12   12    9   37                                       
CONECT   14    8    8                                                 
CONECT   15   26   26   16    5                                       
CONECT   16   15   18    1    1                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16    2    4                                            
CONECT   19   20    3   38                                            
CONECT   20    2   19   39   40                                       
CONECT   21   11   11   12   41                                       
CONECT   22    7    7                                                 
CONECT   23    6    7   24   24                                       
CONECT   24   23   23   26   25                                       
CONECT   25   24   42                                                 
CONECT   26   27   15   15   24                                       
CONECT   27   26   43                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
