COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -2.540  -3.332   0.276  1.00  0.00           B  
HETATM    2  O   UNL     1      -2.634  -2.512   1.432  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.947  -4.691   0.335  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.986  -2.736  -1.067  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.638  -1.327  -0.868  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.371  -0.982  -0.567  1.00  0.00           C  
HETATM    7  O   UNL     1       0.503  -1.826  -0.558  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.043   0.427  -0.247  1.00  0.00           C  
HETATM    9  N   UNL     1       1.199   0.787  -0.086  1.00  0.00           N  
HETATM   10  O   UNL     1       2.225  -0.190  -0.086  1.00  0.00           O  
HETATM   11  C   UNL     1       3.458   0.506   0.109  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.125   1.426  -0.110  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.829   2.759  -0.009  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.470   3.455   0.127  1.00  0.00           S  
HETATM   15  C   UNL     1      -3.377   1.918   0.037  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.744   1.704   0.082  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.400   1.040  -0.089  1.00  0.00           N  
HETATM   18  C   UNL     1       3.663   1.509  -1.028  1.00  0.00           C  
HETATM   19  C   UNL     1       3.417   1.250   1.445  1.00  0.00           C  
HETATM   20  C   UNL     1       4.596  -0.482   0.119  1.00  0.00           C  
HETATM   21  O   UNL     1       4.374  -1.661  -0.027  1.00  0.00           O  
HETATM   22  O   UNL     1       5.856  -0.053   0.289  1.00  0.00           O  
HETATM   23  H   UNL     1      -2.311  -1.636   1.180  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.251  -4.853   1.238  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.749  -2.816  -1.842  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.099  -3.290  -1.372  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.320  -0.642  -0.954  1.00  0.00           H  
HETATM   28  H   UNL     1       0.131   3.254  -0.011  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.350   2.457   0.175  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.097   0.803   0.020  1.00  0.00           H  
HETATM   31  H   UNL     1       4.603   2.039  -0.879  1.00  0.00           H  
HETATM   32  H   UNL     1       3.692   0.978  -1.980  1.00  0.00           H  
HETATM   33  H   UNL     1       2.840   2.223  -1.035  1.00  0.00           H  
HETATM   34  H   UNL     1       2.594   1.965   1.438  1.00  0.00           H  
HETATM   35  H   UNL     1       3.271   0.535   2.255  1.00  0.00           H  
HETATM   36  H   UNL     1       4.358   1.781   1.594  1.00  0.00           H  
HETATM   37  H   UNL     1       6.586  -0.687   0.295  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   23                                                 
CONECT    3    1   24                                                 
CONECT    4    1    5   25   26                                       
CONECT    5    4    6   27                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   12                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   18   19   20                                       
CONECT   12    8   13   13   17                                       
CONECT   13   12   12   14   28                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   17   17                                       
CONECT   16   15   29   30                                            
CONECT   17   12   15   15                                            
CONECT   18   11   31   32   33                                       
CONECT   19   11   34   35   36                                       
CONECT   20   11   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   37                                                 
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28   13                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   22                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
