COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.929   3.847   0.610  1.00  0.00           C  
HETATM    2  C   UNL     1       3.372   1.662  -0.146  1.00  0.00           C  
HETATM    3  C   UNL     1       2.213   1.759   0.608  1.00  0.00           C  
HETATM    4  C   UNL     1       1.316   0.709   0.628  1.00  0.00           C  
HETATM    5  C   UNL     1       1.575  -0.443  -0.106  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.883  -0.565   0.456  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.938   0.793   0.718  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.979   1.552   0.229  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.982   0.947  -0.535  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.920  -0.426  -0.796  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.872  -1.172  -0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.098   1.750  -1.061  1.00  0.00           C  
HETATM   13  C   UNL     1       0.768  -2.581  -1.051  1.00  0.00           C  
HETATM   14  C   UNL     1       2.249  -2.970  -1.149  1.00  0.00           C  
HETATM   15  C   UNL     1       3.041  -1.772  -1.673  1.00  0.00           C  
HETATM   16  C   UNL     1       2.732  -0.541  -0.862  1.00  0.00           C  
HETATM   17  C   UNL     1       3.627   0.516  -0.882  1.00  0.00           C  
HETATM   18  N   UNL     1       0.653  -1.499  -0.064  1.00  0.00           N  
HETATM   19  O   UNL     1       4.258   2.694  -0.168  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.039  -0.824   2.207  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.008  -2.867   1.143  1.00  0.00           O  
HETATM   22  S   UNL     1      -0.544  -1.526   1.080  1.00  0.00           S  
HETATM   23  H   UNL     1       2.984   4.264   0.260  1.00  0.00           H  
HETATM   24  H   UNL     1       3.834   3.563   1.658  1.00  0.00           H  
HETATM   25  H   UNL     1       4.716   4.593   0.505  1.00  0.00           H  
HETATM   26  H   UNL     1       2.011   2.654   1.178  1.00  0.00           H  
HETATM   27  H   UNL     1       0.412   0.783   1.215  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.162   1.258   1.308  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.020   2.611   0.435  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.691  -0.900  -1.385  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.823  -2.232  -0.500  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.871   1.280  -1.650  1.00  0.00           H  
HETATM   33  H   UNL     1       0.412  -2.235  -2.021  1.00  0.00           H  
HETATM   34  H   UNL     1       0.182  -3.440  -0.726  1.00  0.00           H  
HETATM   35  H   UNL     1       2.620  -3.250  -0.163  1.00  0.00           H  
HETATM   36  H   UNL     1       2.361  -3.809  -1.835  1.00  0.00           H  
HETATM   37  H   UNL     1       4.107  -1.988  -1.607  1.00  0.00           H  
HETATM   38  H   UNL     1       2.775  -1.592  -2.714  1.00  0.00           H  
HETATM   39  H   UNL     1       4.531   0.443  -1.469  1.00  0.00           H  
HETATM   40  O   UNL     1      -5.149   2.940  -0.832  1.00  0.00           O  
CONECT    1   19   23   24   25                                       
CONECT    2    3    3   17   19                                       
CONECT    3    4    2    2   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5   18    4    4   16                                       
CONECT    6   22   11   11    7                                       
CONECT    7    6    8    8   28                                       
CONECT    8    7    7    9   29                                       
CONECT    9   10   10    8   12                                       
CONECT   10   11    9    9   30                                       
CONECT   11    6    6   10   31                                       
CONECT   12    9   32   40   40                                       
CONECT   13   14   18   33   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   37   38                                       
CONECT   16    5   15   17   17                                       
CONECT   17   16   16    2   39                                       
CONECT   18   13   22    5                                            
CONECT   19    2    1                                                 
CONECT   20   22   22                                                 
CONECT   21   22   22                                                 
CONECT   22   21   21   18   20                                       
CONECT   22   20    6                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   12   12                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
