COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.312   1.372  -0.824  1.00  0.00           C  
HETATM    2  C   UNL     1       1.098   0.281  -1.160  1.00  0.00           C  
HETATM    3  C   UNL     1       0.522  -0.977  -1.281  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.084   3.583   0.003  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.440  -0.826   0.783  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.930  -0.803   1.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.446  -2.519  -1.195  1.00  0.00           C  
HETATM    8  C   UNL     1       1.380  -2.162  -1.647  1.00  0.00           C  
HETATM    9  C   UNL     1       3.271   0.219  -0.334  1.00  0.00           C  
HETATM   10  C   UNL     1       5.198  -0.023   0.785  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.469  -1.509   2.013  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.640  -0.147   0.281  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.091   0.055  -0.417  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.400   1.419  -0.135  1.00  0.00           O  
HETATM   15  B   UNL     1      -2.207   2.186  -0.219  1.00  0.00           B  
HETATM   16  C   UNL     1      -1.622  -0.070  -0.722  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.050   1.197  -0.605  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.833  -1.149  -1.067  1.00  0.00           C  
HETATM   19  O   UNL     1       2.431   0.443  -1.372  1.00  0.00           O  
HETATM   20  S   UNL     1       2.848  -0.146   1.296  1.00  0.00           S  
HETATM   21  N   UNL     1       4.456  -0.260   1.834  1.00  0.00           N  
HETATM   22  N   UNL     1       4.585   0.229  -0.353  1.00  0.00           N  
HETATM   23  N   UNL     1       6.590  -0.035   0.868  1.00  0.00           N  
HETATM   24  H   UNL     1       0.755   2.352  -0.729  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.916   4.020   0.233  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.933  -0.449   1.671  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.118  -1.849   0.589  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.689  -2.712  -2.240  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.738  -3.269  -0.842  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.356  -2.567  -0.596  1.00  0.00           H  
HETATM   31  H   UNL     1       1.765  -2.625  -0.739  1.00  0.00           H  
HETATM   32  H   UNL     1       0.781  -2.887  -2.198  1.00  0.00           H  
HETATM   33  H   UNL     1       2.212  -1.830  -2.268  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.429  -1.462   2.118  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.671  -0.263  -1.283  1.00  0.00           H  
HETATM   36  H   UNL     1       7.125   0.144   0.079  1.00  0.00           H  
HETATM   37  H   UNL     1       7.024  -0.222   1.715  1.00  0.00           H  
CONECT    1   17    2    2   24                                       
CONECT    2    1    1    3   19                                       
CONECT    3   18   18    2    8                                       
CONECT    4   15   25                                                 
CONECT    5    6   13   26   27                                       
CONECT    6   12   12    5   11                                       
CONECT    7   18   28   29   30                                       
CONECT    8    3   31   32   33                                       
CONECT    9   20   22   22   19                                       
CONECT   10   21   21   23   22                                       
CONECT   11    6   34                                                 
CONECT   12    6    6                                                 
CONECT   13    5   14   16   35                                       
CONECT   14   15   13                                                 
CONECT   15    4   14   17                                            
CONECT   16   13   17   17   18                                       
CONECT   17   15   16   16    1                                       
CONECT   18   16    7    3    3                                       
CONECT   19    9    2                                                 
CONECT   20   21    9                                                 
CONECT   21   20   10   10                                            
CONECT   22   10    9    9                                            
CONECT   23   10   36   37                                            
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
