COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       4.956   0.335  -0.321  1.00  0.00           S  
HETATM    2  O   UNL     1       5.706   0.158   0.873  1.00  0.00           O  
HETATM    3  O   UNL     1       4.881   1.537  -1.075  1.00  0.00           O  
HETATM    4  N   UNL     1       5.505  -0.822  -1.372  1.00  0.00           N  
HETATM    5  C   UNL     1       3.293  -0.076   0.093  1.00  0.00           C  
HETATM    6  C   UNL     1       2.251   0.423  -0.666  1.00  0.00           C  
HETATM    7  C   UNL     1       0.946   0.099  -0.348  1.00  0.00           C  
HETATM    8  C   UNL     1       0.682  -0.720   0.742  1.00  0.00           C  
HETATM    9  C   UNL     1       1.732  -1.214   1.506  1.00  0.00           C  
HETATM   10  C   UNL     1       3.034  -0.891   1.179  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.636  -1.045   1.071  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.742  -0.522   0.264  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.855  -1.570   0.188  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.991  -1.028  -0.687  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.419   0.340  -0.142  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.188   1.243  -0.040  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.611   2.621   0.472  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.243   0.671   0.862  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.342  -2.773  -0.386  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.101  -1.928  -0.648  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.374   0.931  -1.025  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.487   3.503   0.451  1.00  0.00           O  
HETATM   23  H   UNL     1       6.275  -1.363  -1.138  1.00  0.00           H  
HETATM   24  H   UNL     1       5.054  -0.960  -2.219  1.00  0.00           H  
HETATM   25  H   UNL     1       2.457   1.060  -1.514  1.00  0.00           H  
HETATM   26  H   UNL     1       0.133   0.485  -0.944  1.00  0.00           H  
HETATM   27  H   UNL     1       1.530  -1.851   2.355  1.00  0.00           H  
HETATM   28  H   UNL     1       3.850  -1.275   1.772  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.819  -1.616   1.833  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.384  -0.301  -0.742  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.233  -1.776   1.190  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.644  -0.920  -1.714  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.864   0.216   0.846  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.732   1.346  -1.025  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.398   3.021  -0.168  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.983   2.531   1.493  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.631  -3.079   0.194  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.788  -2.773  -0.999  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.132   0.331  -1.060  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.796   4.358   0.781  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    5                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   23   24                                            
CONECT    5    1    6   10   10                                       
CONECT    6    5    7    7   25                                       
CONECT    7    6    6    8   26                                       
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   10   27                                       
CONECT   10    5    5    9   28                                       
CONECT   11    8   12   29                                            
CONECT   12   11   13   18   30                                       
CONECT   13   12   14   19   31                                       
CONECT   14   13   15   20   32                                       
CONECT   15   14   16   21   33                                       
CONECT   16   15   17   18   34                                       
CONECT   17   16   22   35   36                                       
CONECT   18   12   16                                                 
CONECT   19   13   37                                                 
CONECT   20   14   38                                                 
CONECT   21   15   39                                                 
CONECT   22   17   40                                                 
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
