COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.325  -0.401   7.211  1.00  0.00           N  
HETATM    2  C   UNL     1       1.963   0.419   6.048  1.00  0.00           C  
HETATM    3  C   UNL     1       0.887  -0.299   5.232  1.00  0.00           C  
HETATM    4  S   UNL     1       0.440   0.714   3.795  1.00  0.00           S  
HETATM    5  C   UNL     1      -0.814  -0.352   3.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.352   0.315   1.769  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.288   0.489   0.819  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.414  -0.587   1.111  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.674   0.084   1.036  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.854  -0.851  -0.310  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.897  -0.798  -1.286  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.864   0.326  -0.494  1.00  0.00           C  
HETATM   13  N   UNL     1       0.170  -0.013  -1.473  1.00  0.00           N  
HETATM   14  C   UNL     1       1.333  -0.679  -1.220  1.00  0.00           C  
HETATM   15  N   UNL     1       2.018  -0.810  -2.318  1.00  0.00           N  
HETATM   16  C   UNL     1       1.342  -0.238  -3.343  1.00  0.00           C  
HETATM   17  C   UNL     1       1.582  -0.077  -4.718  1.00  0.00           C  
HETATM   18  N   UNL     1       2.740  -0.567  -5.297  1.00  0.00           N  
HETATM   19  N   UNL     1       0.672   0.555  -5.450  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.436   1.025  -4.907  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.703   0.898  -3.625  1.00  0.00           N  
HETATM   22  C   UNL     1       0.145   0.274  -2.814  1.00  0.00           C  
HETATM   23  H   UNL     1       3.034   0.108   7.717  1.00  0.00           H  
HETATM   24  H   UNL     1       1.512  -0.435   7.807  1.00  0.00           H  
HETATM   25  H   UNL     1       1.580   1.381   6.387  1.00  0.00           H  
HETATM   26  H   UNL     1       2.845   0.577   5.427  1.00  0.00           H  
HETATM   27  H   UNL     1       1.270  -1.261   4.893  1.00  0.00           H  
HETATM   28  H   UNL     1       0.005  -0.458   5.853  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.367  -1.313   2.778  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.632  -0.509   3.739  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.790   1.282   2.017  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.514  -1.522   1.662  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.277  -0.505   0.563  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.333  -1.808  -0.353  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.476  -1.554  -1.118  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.394   1.229  -0.796  1.00  0.00           H  
HETATM   37  H   UNL     1       1.639  -1.043  -0.251  1.00  0.00           H  
HETATM   38  H   UNL     1       2.895  -0.449  -6.247  1.00  0.00           H  
HETATM   39  H   UNL     1       3.397  -1.027  -4.752  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.149   1.534  -5.539  1.00  0.00           H  
CONECT    1    2   23   24                                            
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   29   30                                       
CONECT    6    5    7    8   31                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   32                                       
CONECT    9    8   33                                                 
CONECT   10    8   11   12   34                                       
CONECT   11   10   35                                                 
CONECT   12    7   10   13   36                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   38   39                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22                                            
CONECT   22   13   16   21   21                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
