COMPND    HMDB0140929
HETATM    1  C1  UNL     1      -1.864   2.638   0.325  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.663   1.308  -0.144  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.387   0.762  -0.032  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.663   1.476   0.514  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.900   0.903   0.604  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.094  -0.385   0.150  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.432  -0.952   0.268  1.00  0.00           C  
HETATM    8  O2  UNL     1       3.635  -2.129  -0.140  1.00  0.00           O  
HETATM    9  O3  UNL     1       4.482  -0.244   0.812  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.062  -1.122  -0.400  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.184  -0.538  -0.489  1.00  0.00           C  
HETATM   12  O4  UNL     1      -1.239  -1.222  -1.024  1.00  0.00           O  
HETATM   13  S1  UNL     1      -2.315  -2.197  -0.182  1.00  0.00           S  
HETATM   14  O5  UNL     1      -2.100  -2.129   1.314  1.00  0.00           O  
HETATM   15  O6  UNL     1      -2.316  -3.617  -0.623  1.00  0.00           O  
HETATM   16  O7  UNL     1      -3.877  -1.593  -0.449  1.00  0.00           O  
HETATM   17  H1  UNL     1      -1.644   2.670   1.402  1.00  0.00           H  
HETATM   18  H2  UNL     1      -2.854   3.021   0.063  1.00  0.00           H  
HETATM   19  H3  UNL     1      -1.108   3.268  -0.190  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.480   2.502   0.868  1.00  0.00           H  
HETATM   21  H5  UNL     1       2.709   1.500   1.043  1.00  0.00           H  
HETATM   22  H6  UNL     1       4.329   0.386   1.590  1.00  0.00           H  
HETATM   23  H7  UNL     1       1.254  -2.131  -0.746  1.00  0.00           H  
HETATM   24  H8  UNL     1      -4.489  -2.176   0.072  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3
CONECT    3    4    4   11
CONECT    4    5   20
CONECT    5    6    6   21
CONECT    6    7   10
CONECT    7    8    8    9
CONECT    9   22
CONECT   10   11   11   23
CONECT   11   12
CONECT   12   13
CONECT   13   14   14   15   15
CONECT   13   16
CONECT   16   24
END