COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.052   2.921  -2.255  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.218   2.540  -0.783  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.782   1.111  -0.582  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.379   0.462  -1.524  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.841   0.554   0.644  1.00  0.00           N  
HETATM    6  S   UNL     1      -3.362  -1.015   0.864  1.00  0.00           S  
HETATM    7  O   UNL     1      -3.510  -1.289   2.251  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.002  -1.776  -0.150  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.635  -1.087   0.524  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.723  -0.881   1.543  1.00  0.00           C  
HETATM   11  C   UNL     1       0.632  -0.935   1.283  1.00  0.00           C  
HETATM   12  C   UNL     1       1.080  -1.199  -0.010  1.00  0.00           C  
HETATM   13  C   UNL     1       0.156  -1.406  -1.033  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.196  -1.354  -0.760  1.00  0.00           C  
HETATM   15  C   UNL     1       2.534  -1.258  -0.297  1.00  0.00           C  
HETATM   16  C   UNL     1       3.282  -2.335  -0.678  1.00  0.00           C  
HETATM   17  C   UNL     1       3.525  -0.168  -0.245  1.00  0.00           C  
HETATM   18  O   UNL     1       4.540  -1.899  -0.817  1.00  0.00           O  
HETATM   19  N   UNL     1       4.664  -0.722  -0.580  1.00  0.00           N  
HETATM   20  C   UNL     1       3.285   1.253   0.110  1.00  0.00           C  
HETATM   21  C   UNL     1       4.200   1.940   0.904  1.00  0.00           C  
HETATM   22  C   UNL     1       3.971   3.261   1.231  1.00  0.00           C  
HETATM   23  C   UNL     1       2.835   3.903   0.772  1.00  0.00           C  
HETATM   24  C   UNL     1       1.923   3.226  -0.017  1.00  0.00           C  
HETATM   25  C   UNL     1       2.145   1.906  -0.355  1.00  0.00           C  
HETATM   26  C   UNL     1       2.787  -3.742  -0.900  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.005   2.817  -2.542  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.665   2.265  -2.872  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.367   3.955  -2.400  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.604   3.197  -0.166  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.264   2.644  -0.496  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.163   1.073   1.397  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.071  -0.676   2.545  1.00  0.00           H  
HETATM   34  H   UNL     1       1.343  -0.774   2.079  1.00  0.00           H  
HETATM   35  H   UNL     1       0.498  -1.611  -2.037  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.912  -1.519  -1.551  1.00  0.00           H  
HETATM   37  H   UNL     1       5.087   1.439   1.264  1.00  0.00           H  
HETATM   38  H   UNL     1       4.680   3.795   1.847  1.00  0.00           H  
HETATM   39  H   UNL     1       2.660   4.937   1.031  1.00  0.00           H  
HETATM   40  H   UNL     1       1.038   3.731  -0.372  1.00  0.00           H  
HETATM   41  H   UNL     1       1.435   1.380  -0.976  1.00  0.00           H  
HETATM   42  H   UNL     1       2.482  -3.860  -1.940  1.00  0.00           H  
HETATM   43  H   UNL     1       3.586  -4.448  -0.673  1.00  0.00           H  
HETATM   44  H   UNL     1       1.936  -3.934  -0.248  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   32                                            
CONECT    6    5    7    7    8                                       
CONECT    6    8    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10   10   14                                       
CONECT   10    9    9   11   33                                       
CONECT   11   10   12   12   34                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   35                                       
CONECT   14    9   13   13   36                                       
CONECT   15   12   16   16   17                                       
CONECT   16   15   15   18   26                                       
CONECT   17   15   19   19   20                                       
CONECT   18   16   19                                                 
CONECT   19   17   17   18                                            
CONECT   20   17   21   21   25                                       
CONECT   21   20   20   22   37                                       
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23   25   25   40                                       
CONECT   25   20   24   24   41                                       
CONECT   26   16   42   43   44                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
