COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.800  -0.936  -0.292  1.00  0.00           O  
HETATM    2  C   UNL     1       2.813  -0.538   0.244  1.00  0.00           C  
HETATM    3  C   UNL     1       3.649  -1.481   1.070  1.00  0.00           C  
HETATM    4  C   UNL     1       4.842  -1.963   0.242  1.00  0.00           C  
HETATM    5  C   UNL     1       5.621  -3.014   1.035  1.00  0.00           C  
HETATM    6  O   UNL     1       4.373  -2.538  -0.979  1.00  0.00           O  
HETATM    7  N   UNL     1       2.834  -2.635   1.472  1.00  0.00           N  
HETATM    8  N   UNL     1       3.193   0.747   0.097  1.00  0.00           N  
HETATM    9  S   UNL     1       2.278   1.782  -0.817  1.00  0.00           S  
HETATM   10  O   UNL     1       2.916   3.049  -0.748  1.00  0.00           O  
HETATM   11  O   UNL     1       2.013   1.110  -2.040  1.00  0.00           O  
HETATM   12  C   UNL     1       0.726   1.962  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1       0.551   2.963   0.937  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.665   3.110   1.580  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.711   2.259   1.288  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.541   1.249   0.342  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.315   1.108  -0.306  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.661   0.330   0.024  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.869   0.490   0.668  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.935  -0.379   0.361  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.242  -0.506   0.797  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.796  -1.534   0.140  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.864  -2.098  -0.738  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.726  -1.436  -0.641  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.462  -1.544  -1.263  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.471  -0.684  -0.933  1.00  0.00           C  
HETATM   27  H   UNL     1       4.009  -0.963   1.959  1.00  0.00           H  
HETATM   28  H   UNL     1       5.495  -1.119   0.019  1.00  0.00           H  
HETATM   29  H   UNL     1       6.471  -3.358   0.445  1.00  0.00           H  
HETATM   30  H   UNL     1       5.979  -2.576   1.966  1.00  0.00           H  
HETATM   31  H   UNL     1       4.969  -3.859   1.257  1.00  0.00           H  
HETATM   32  H   UNL     1       3.785  -3.296  -0.857  1.00  0.00           H  
HETATM   33  H   UNL     1       2.487  -3.131   0.664  1.00  0.00           H  
HETATM   34  H   UNL     1       3.353  -3.250   2.080  1.00  0.00           H  
HETATM   35  H   UNL     1       4.003   1.065   0.525  1.00  0.00           H  
HETATM   36  H   UNL     1       1.367   3.631   1.168  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.795   3.893   2.313  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.659   2.375   1.791  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.178   0.327  -1.039  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.997   1.274   1.400  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.729   0.112   1.537  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.709  -1.841   0.256  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.287  -2.312  -2.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.512  -0.775  -1.419  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    8    3                                       
CONECT    3    4    2    7   27                                       
CONECT    4    5    6    3   28                                       
CONECT    5    4   29   30   31                                       
CONECT    6    4   32                                                 
CONECT    7    3   33   34                                            
CONECT    8    9    2   35                                            
CONECT    9   12   10   10   11                                       
CONECT    9   11    8                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13   13   17    9                                       
CONECT   13   14   12   12   36                                       
CONECT   14   15   15   13   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16   12   39                                       
CONECT   18   19   19   26   16                                       
CONECT   19   20   18   18   40                                       
CONECT   20   21   21   24   19                                       
CONECT   21   22   20   20   41                                       
CONECT   22   21   23   42                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   20   25                                       
CONECT   25   24   26   26   43                                       
CONECT   26   25   25   18   44                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
