COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       2.048  -0.075   0.467  1.00  0.00           B  
HETATM    2  C   UNL     1      -2.175  -0.616  -0.376  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.413   1.709  -0.358  1.00  0.00           N  
HETATM    4  O   UNL     1      -5.920  -0.245  -0.382  1.00  0.00           O  
HETATM    5  S   UNL     1      -4.653   0.145   0.130  1.00  0.00           S  
HETATM    6  C   UNL     1      -1.359  -1.726  -0.175  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.528  -0.789  -0.646  1.00  0.00           N  
HETATM    8  O   UNL     1      -4.326   0.102   1.512  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.020  -1.557   0.093  1.00  0.00           C  
HETATM   10  O   UNL     1       2.767   1.162   0.574  1.00  0.00           O  
HETATM   11  C   UNL     1       0.520  -0.271   0.162  1.00  0.00           C  
HETATM   12  O   UNL     1       3.032  -1.094   0.694  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.300   0.841  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.640   0.667  -0.302  1.00  0.00           C  
HETATM   15  C   UNL     1       4.033   0.905  -0.068  1.00  0.00           C  
HETATM   16  C   UNL     1       4.212  -0.621   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1       5.163   1.618   0.677  1.00  0.00           C  
HETATM   18  C   UNL     1       3.991   1.355  -1.530  1.00  0.00           C  
HETATM   19  C   UNL     1       4.294  -1.220  -1.392  1.00  0.00           C  
HETATM   20  C   UNL     1       5.467  -0.969   0.816  1.00  0.00           C  
HETATM   21  H   UNL     1      -3.807   2.284   0.135  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.878   2.051  -1.138  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.777  -2.720  -0.228  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.812  -1.457  -1.289  1.00  0.00           H  
HETATM   25  H   UNL     1       0.613  -2.418   0.250  1.00  0.00           H  
HETATM   26  H   UNL     1       0.116   1.836   0.012  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.275   1.527  -0.459  1.00  0.00           H  
HETATM   28  H   UNL     1       5.190   1.276   1.711  1.00  0.00           H  
HETATM   29  H   UNL     1       6.115   1.393   0.195  1.00  0.00           H  
HETATM   30  H   UNL     1       4.990   2.694   0.654  1.00  0.00           H  
HETATM   31  H   UNL     1       3.807   2.429  -1.574  1.00  0.00           H  
HETATM   32  H   UNL     1       4.945   1.131  -2.007  1.00  0.00           H  
HETATM   33  H   UNL     1       3.192   0.828  -2.050  1.00  0.00           H  
HETATM   34  H   UNL     1       3.401  -0.949  -1.955  1.00  0.00           H  
HETATM   35  H   UNL     1       5.176  -0.832  -1.902  1.00  0.00           H  
HETATM   36  H   UNL     1       4.363  -2.305  -1.321  1.00  0.00           H  
HETATM   37  H   UNL     1       5.549  -2.052   0.911  1.00  0.00           H  
HETATM   38  H   UNL     1       6.347  -0.583   0.301  1.00  0.00           H  
HETATM   39  H   UNL     1       5.400  -0.522   1.808  1.00  0.00           H  
CONECT    1   12   10   11                                            
CONECT    2   14   14    6    7                                       
CONECT    3    5   21   22                                            
CONECT    4    5    5                                                 
CONECT    5    3    4    4    7                                       
CONECT    5    8    8                                                 
CONECT    6    2    9    9   23                                       
CONECT    7    2    5   24                                            
CONECT    8    5    5                                                 
CONECT    9    6    6   11   25                                       
CONECT   10    1   15                                                 
CONECT   11    1    9   13   13                                       
CONECT   12    1   16                                                 
CONECT   13   11   11   14   26                                       
CONECT   14    2    2   13   27                                       
CONECT   15   10   17   16   18                                       
CONECT   16   12   15   20   19                                       
CONECT   17   15   28   29   30                                       
CONECT   18   15   31   32   33                                       
CONECT   19   16   34   35   36                                       
CONECT   20   16   37   38   39                                       
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
