COMPND    HMDB0240567
HETATM    1  O1  UNL     1      -2.751   2.238   1.488  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.937   1.456   0.937  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.675   1.810   0.919  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.245   1.051   0.363  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.564   1.451   0.361  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.550   0.674  -0.215  1.00  0.00           C  
HETATM    7  O3  UNL     1       3.867   1.115  -0.195  1.00  0.00           O  
HETATM    8  S1  UNL     1       4.969   0.776   1.022  1.00  0.00           S  
HETATM    9  O4  UNL     1       4.463  -0.220   2.022  1.00  0.00           O  
HETATM   10  O5  UNL     1       6.236   0.245   0.371  1.00  0.00           O  
HETATM   11  O6  UNL     1       5.433   2.174   1.856  1.00  0.00           O  
HETATM   12  C5  UNL     1       2.155  -0.500  -0.777  1.00  0.00           C  
HETATM   13  C6  UNL     1       0.840  -0.965  -0.809  1.00  0.00           C  
HETATM   14  C7  UNL     1      -0.117  -0.166  -0.226  1.00  0.00           C  
HETATM   15  C8  UNL     1      -1.443  -0.571  -0.225  1.00  0.00           C  
HETATM   16  C9  UNL     1      -1.883  -1.751  -0.782  1.00  0.00           C  
HETATM   17  C10 UNL     1      -3.228  -2.126  -0.762  1.00  0.00           C  
HETATM   18  C11 UNL     1      -4.131  -1.282  -0.164  1.00  0.00           C  
HETATM   19  O7  UNL     1      -5.485  -1.639  -0.133  1.00  0.00           O  
HETATM   20  C12 UNL     1      -3.706  -0.096   0.399  1.00  0.00           C  
HETATM   21  C13 UNL     1      -2.376   0.270   0.377  1.00  0.00           C  
HETATM   22  H1  UNL     1       1.881   2.394   0.812  1.00  0.00           H  
HETATM   23  H2  UNL     1       5.188   2.964   1.314  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.898  -1.136  -1.238  1.00  0.00           H  
HETATM   25  H4  UNL     1       0.615  -1.909  -1.276  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.161  -2.404  -1.249  1.00  0.00           H  
HETATM   27  H6  UNL     1      -3.502  -3.067  -1.220  1.00  0.00           H  
HETATM   28  H7  UNL     1      -6.091  -1.347  -0.905  1.00  0.00           H  
HETATM   29  H8  UNL     1      -4.419   0.562   0.867  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4
CONECT    4    5    5   14
CONECT    5    6   22
CONECT    6    7   12   12
CONECT    7    8
CONECT    8    9    9   10   10
CONECT    8   11
CONECT   11   23
CONECT   12   13   24
CONECT   13   14   14   25
CONECT   14   15
CONECT   15   16   16   21
CONECT   16   17   26
CONECT   17   18   18   27
CONECT   18   19   20
CONECT   19   28
CONECT   20   21   21   29
END