COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.605  -1.173   1.037  1.00  0.00           O  
HETATM    2  C   UNL     1       2.266  -0.582   0.033  1.00  0.00           C  
HETATM    3  N   UNL     1       3.186   0.057  -0.716  1.00  0.00           N  
HETATM    4  C   UNL     1       4.509   0.135  -0.279  1.00  0.00           C  
HETATM    5  C   UNL     1       5.563   0.157  -1.192  1.00  0.00           C  
HETATM    6  C   UNL     1       6.857   0.235  -0.720  1.00  0.00           C  
HETATM    7  N   UNL     1       7.102   0.289   0.576  1.00  0.00           N  
HETATM    8  C   UNL     1       6.132   0.272   1.471  1.00  0.00           C  
HETATM    9  C   UNL     1       4.811   0.200   1.080  1.00  0.00           C  
HETATM   10  C   UNL     1       0.817  -0.569  -0.380  1.00  0.00           C  
HETATM   11  N   UNL     1       0.026  -1.335   0.588  1.00  0.00           N  
HETATM   12  S   UNL     1      -1.246  -2.260   0.070  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.815  -2.825   1.243  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.760  -2.996  -1.044  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.466  -1.165  -0.574  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.781  -1.201  -1.891  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.742  -0.349  -2.436  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.404   0.552  -1.672  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.126   0.646  -0.283  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.656   1.453   0.634  1.00  0.00           N  
HETATM   21  S   UNL     1      -3.955   1.095   1.990  1.00  0.00           S  
HETATM   22  N   UNL     1      -2.962  -0.050   1.594  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.124  -0.249   0.288  1.00  0.00           C  
HETATM   24  C   UNL     1       0.319   0.852  -0.422  1.00  0.00           C  
HETATM   25  C   UNL     1       0.226   1.516  -1.631  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.230   2.821  -1.670  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.594   3.461  -0.500  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.502   2.797   0.708  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.050   1.491   0.747  1.00  0.00           C  
HETATM   30  H   UNL     1       2.928   0.463  -1.558  1.00  0.00           H  
HETATM   31  H   UNL     1       5.369   0.112  -2.253  1.00  0.00           H  
HETATM   32  H   UNL     1       7.679   0.252  -1.419  1.00  0.00           H  
HETATM   33  H   UNL     1       6.376   0.318   2.522  1.00  0.00           H  
HETATM   34  H   UNL     1       4.022   0.187   1.817  1.00  0.00           H  
HETATM   35  H   UNL     1       0.717  -1.019  -1.368  1.00  0.00           H  
HETATM   36  H   UNL     1       0.248  -1.299   1.531  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.275  -1.906  -2.535  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.963  -0.409  -3.491  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.143   1.200  -2.119  1.00  0.00           H  
HETATM   40  H   UNL     1       0.511   1.016  -2.545  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.302   3.339  -2.615  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.950   4.480  -0.531  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.786   3.297   1.622  1.00  0.00           H  
HETATM   44  H   UNL     1       0.022   0.972   1.691  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   30                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   33                                       
CONECT    9    4    8    8   34                                       
CONECT   10    2   11   24   35                                       
CONECT   11   10   12   36                                            
CONECT   12   11   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   16   23                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   19   39                                       
CONECT   19   18   20   20   23                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   23                                            
CONECT   23   15   19   22   22                                       
CONECT   24   10   25   25   29                                       
CONECT   25   24   24   26   40                                       
CONECT   26   25   27   27   41                                       
CONECT   27   26   26   28   42                                       
CONECT   28   27   29   29   43                                       
CONECT   29   24   28   28   44                                       
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
