COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.691   2.927  -0.564  1.00  0.00           C  
HETATM    2  N   UNL     1       6.296   1.554  -0.222  1.00  0.00           N  
HETATM    3  C   UNL     1       6.862   1.150   1.072  1.00  0.00           C  
HETATM    4  C   UNL     1       4.834   1.411  -0.225  1.00  0.00           C  
HETATM    5  C   UNL     1       4.467  -0.070  -0.114  1.00  0.00           C  
HETATM    6  N   UNL     1       3.009  -0.213  -0.117  1.00  0.00           N  
HETATM    7  C   UNL     1       2.452  -1.437  -0.027  1.00  0.00           C  
HETATM    8  O   UNL     1       3.159  -2.423   0.056  1.00  0.00           O  
HETATM    9  C   UNL     1       0.984  -1.581  -0.031  1.00  0.00           C  
HETATM   10  C   UNL     1       0.160  -0.453  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.224  -0.645  -0.007  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.140   0.514   0.023  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.635   2.196   0.065  1.00  0.00           S  
HETATM   14  C   UNL     1      -3.307   2.733   0.077  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.135   1.681   0.050  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.514   1.777   0.049  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.192   0.580  -0.355  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.578  -0.618   0.376  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.201  -0.747  -0.003  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.489   0.436   0.015  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.731  -1.946  -0.040  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.926  -2.988  -0.066  1.00  0.00           N  
HETATM   23  C   UNL     1       0.391  -2.856  -0.069  1.00  0.00           C  
HETATM   24  N   UNL     1       1.193  -3.983  -0.103  1.00  0.00           N  
HETATM   25  H   UNL     1       7.779   3.005  -0.554  1.00  0.00           H  
HETATM   26  H   UNL     1       6.318   3.176  -1.557  1.00  0.00           H  
HETATM   27  H   UNL     1       6.271   3.618   0.166  1.00  0.00           H  
HETATM   28  H   UNL     1       6.502   1.822   1.851  1.00  0.00           H  
HETATM   29  H   UNL     1       6.554   0.130   1.301  1.00  0.00           H  
HETATM   30  H   UNL     1       7.950   1.199   1.024  1.00  0.00           H  
HETATM   31  H   UNL     1       4.414   1.954   0.621  1.00  0.00           H  
HETATM   32  H   UNL     1       4.431   1.816  -1.154  1.00  0.00           H  
HETATM   33  H   UNL     1       4.887  -0.614  -0.960  1.00  0.00           H  
HETATM   34  H   UNL     1       4.870  -0.476   0.814  1.00  0.00           H  
HETATM   35  H   UNL     1       2.445   0.573  -0.184  1.00  0.00           H  
HETATM   36  H   UNL     1       0.582   0.541   0.024  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.800  -2.100  -0.044  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.622   3.766   0.103  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.249   0.658  -0.104  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.082   0.445  -1.431  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.646  -0.461   1.453  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.117  -1.525   0.105  1.00  0.00           H  
HETATM   43  H   UNL     1       2.156  -3.896  -0.020  1.00  0.00           H  
HETATM   44  H   UNL     1       0.793  -4.860  -0.210  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    3    4                                            
CONECT    3    2   28   29   30                                       
CONECT    4    2    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5    7   35                                            
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   23                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   21   21                                       
CONECT   12   11   13   20   20                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   38                                       
CONECT   15   14   14   16   20                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   39   40                                       
CONECT   18   17   19   41   42                                       
CONECT   19   18   20                                                 
CONECT   20   12   12   15   19                                       
CONECT   21   11   11   22   37                                       
CONECT   22   21   23   23                                            
CONECT   23    9   22   22   24                                       
CONECT   24   23   43   44                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   21                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
