COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.979  -1.663  -0.014  1.00  0.00           O  
HETATM    2  C   UNL     1       3.338  -0.510   0.001  1.00  0.00           C  
HETATM    3  N   UNL     1       4.652  -0.212   0.009  1.00  0.00           N  
HETATM    4  C   UNL     1       5.679  -1.109   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1       5.550  -2.611  -0.012  1.00  0.00           C  
HETATM    6  C   UNL     1       6.833  -0.407   0.016  1.00  0.00           C  
HETATM    7  C   UNL     1       6.509   0.957   0.029  1.00  0.00           C  
HETATM    8  C   UNL     1       7.496   2.096   0.044  1.00  0.00           C  
HETATM    9  N   UNL     1       5.208   1.073   0.020  1.00  0.00           N  
HETATM   10  C   UNL     1       2.315   0.597   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       0.909  -0.007  -0.016  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.085   1.069  -0.015  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.447   0.761  -0.030  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.861  -0.565  -0.041  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.209  -0.866  -0.055  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.391   1.780  -0.029  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.738   1.472  -0.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.146   0.151  -0.059  1.00  0.00           C  
HETATM   19  S   UNL     1      -5.865  -0.237  -0.078  1.00  0.00           S  
HETATM   20  O   UNL     1      -6.526   0.896  -0.623  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.975  -1.542  -0.630  1.00  0.00           O  
HETATM   22  N   UNL     1      -6.358  -0.354   1.498  1.00  0.00           N  
HETATM   23  H   UNL     1       5.523  -2.962  -1.043  1.00  0.00           H  
HETATM   24  H   UNL     1       6.403  -3.054   0.501  1.00  0.00           H  
HETATM   25  H   UNL     1       4.630  -2.902   0.495  1.00  0.00           H  
HETATM   26  H   UNL     1       7.829  -0.824   0.016  1.00  0.00           H  
HETATM   27  H   UNL     1       7.737   2.381  -0.980  1.00  0.00           H  
HETATM   28  H   UNL     1       7.059   2.948   0.565  1.00  0.00           H  
HETATM   29  H   UNL     1       8.405   1.783   0.557  1.00  0.00           H  
HETATM   30  H   UNL     1       2.438   1.204   0.899  1.00  0.00           H  
HETATM   31  H   UNL     1       2.453   1.221  -0.881  1.00  0.00           H  
HETATM   32  H   UNL     1       0.786  -0.614  -0.913  1.00  0.00           H  
HETATM   33  H   UNL     1       0.771  -0.631   0.867  1.00  0.00           H  
HETATM   34  H   UNL     1       0.203   1.995  -0.004  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.130  -1.360  -0.038  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.531  -1.897  -0.063  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.073   2.812  -0.016  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.472   2.264  -0.042  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.723  -0.212   2.217  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.283  -0.563   1.703  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   10    3    1    1                                       
CONECT    3    9    2    4                                            
CONECT    4    3    6    6    5                                       
CONECT    5    4   23   24   25                                       
CONECT    6    7    4    4   26                                       
CONECT    7    8    9    9    6                                       
CONECT    8    7   27   28   29                                       
CONECT    9    7    7    3                                            
CONECT   10   11    2   30   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   34                                            
CONECT   13   12   16   16   14                                       
CONECT   14   13   15   15   35                                       
CONECT   15   14   14   18   36                                       
CONECT   16   13   13   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   15   19                                       
CONECT   19   18   22   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   39   40                                            
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
