COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.524  -1.372   0.008  1.00  0.00           O  
HETATM    2  C   UNL     1       3.436  -0.163   0.027  1.00  0.00           C  
HETATM    3  N   UNL     1       4.551   0.594  -0.008  1.00  0.00           N  
HETATM    4  S   UNL     1       6.040  -0.127  -0.077  1.00  0.00           S  
HETATM    5  O   UNL     1       6.021  -1.072   0.984  1.00  0.00           O  
HETATM    6  C   UNL     1       6.060  -0.971  -1.682  1.00  0.00           C  
HETATM    7  O   UNL     1       6.956   0.960  -0.074  1.00  0.00           O  
HETATM    8  C   UNL     1       2.081   0.493   0.084  1.00  0.00           C  
HETATM    9  C   UNL     1       1.980   1.348   1.349  1.00  0.00           C  
HETATM   10  C   UNL     1       0.994  -0.583   0.108  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.292   0.037   0.044  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.374  -0.877   0.060  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.598  -0.438   0.007  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.831  -1.260   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.929  -0.387  -0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.219  -0.910  -0.064  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.411  -2.277  -0.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.327  -3.135   0.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.040  -2.634   0.076  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.426   1.005  -0.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.023   0.980  -0.067  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.087   2.228  -0.188  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.362   3.404  -0.226  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.979   3.377  -0.189  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.307   2.172  -0.098  1.00  0.00           C  
HETATM   26  H   UNL     1       4.480   1.562   0.008  1.00  0.00           H  
HETATM   27  H   UNL     1       7.015  -1.479  -1.814  1.00  0.00           H  
HETATM   28  H   UNL     1       5.252  -1.702  -1.718  1.00  0.00           H  
HETATM   29  H   UNL     1       5.924  -0.240  -2.479  1.00  0.00           H  
HETATM   30  H   UNL     1       1.946   1.126  -0.794  1.00  0.00           H  
HETATM   31  H   UNL     1       2.115   0.715   2.226  1.00  0.00           H  
HETATM   32  H   UNL     1       2.755   2.115   1.332  1.00  0.00           H  
HETATM   33  H   UNL     1       1.000   1.822   1.390  1.00  0.00           H  
HETATM   34  H   UNL     1       1.120  -1.246  -0.748  1.00  0.00           H  
HETATM   35  H   UNL     1       1.074  -1.160   1.029  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.070  -0.248  -0.118  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.413  -2.678  -0.008  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.489  -4.202   0.117  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.197  -3.307   0.131  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.166   2.258  -0.218  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.879   4.350  -0.286  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.423   4.302  -0.214  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.228   2.156  -0.069  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    4    2   26                                            
CONECT    4    5    5    6    7                                       
CONECT    4    7    3                                                 
CONECT    5    4    4                                                 
CONECT    6    4   27   28   29                                       
CONECT    7    4    4                                                 
CONECT    8    2    9   10   30                                       
CONECT    9    8   31   32   33                                       
CONECT   10    8   11   34   35                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13                                            
CONECT   13   21   12   12   14                                       
CONECT   14   13   15   15   19                                       
CONECT   15   20   14   14   16                                       
CONECT   16   15   17   17   36                                       
CONECT   17   16   16   18   37                                       
CONECT   18   19   19   17   38                                       
CONECT   19   14   18   18   39                                       
CONECT   20   21   21   22   15                                       
CONECT   21   25   13   20   20                                       
CONECT   22   23   23   20   40                                       
CONECT   23   24   22   22   41                                       
CONECT   24   25   25   23   42                                       
CONECT   25   24   24   21   43                                       
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
