COMPND    HMDB0060006
HETATM    1  O1  UNL     1       1.781  -0.496  -2.799  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.735  -0.399  -2.018  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.603  -0.129  -0.606  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.794  -0.112   0.150  1.00  0.00           C  
HETATM    5 CL1  UNL     1       5.317  -0.366  -0.673  1.00  0.00          CL  
HETATM    6  C4  UNL     1       3.746   0.100   1.504  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.539   0.295   2.113  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.385   0.279   1.365  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.379   0.066  -0.014  1.00  0.00           C  
HETATM   10  N1  UNL     1       0.179   0.169  -0.759  1.00  0.00           N  
HETATM   11  C8  UNL     1      -1.091  -0.131  -0.165  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.132  -1.053   0.840  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.353  -1.437   1.351  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.548  -0.937   0.897  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.497  -0.013  -0.112  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.284   0.398  -0.651  1.00  0.00           C  
HETATM   17  C14 UNL     1      -2.298   1.404  -1.692  1.00  0.00           C  
HETATM   18  O2  UNL     1      -1.318   1.913  -2.259  1.00  0.00           O  
HETATM   19  O3  UNL     1      -3.567   1.861  -2.113  1.00  0.00           O  
HETATM   20  H1  UNL     1       3.724  -0.536  -2.486  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.664   0.109   2.069  1.00  0.00           H  
HETATM   22  H3  UNL     1       2.440   0.468   3.191  1.00  0.00           H  
HETATM   23  H4  UNL     1       0.439   0.479   1.861  1.00  0.00           H  
HETATM   24  H5  UNL     1       0.191   0.467  -1.752  1.00  0.00           H  
HETATM   25  H6  UNL     1      -0.212  -1.528   1.225  1.00  0.00           H  
HETATM   26  H7  UNL     1      -2.372  -2.176   2.159  1.00  0.00           H  
HETATM   27  H8  UNL     1      -4.520  -1.242   1.304  1.00  0.00           H  
HETATM   28  H9  UNL     1      -4.455   0.383  -0.472  1.00  0.00           H  
HETATM   29  H10 UNL     1      -4.270   2.162  -1.459  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4    4    9
CONECT    4    5    6
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10
CONECT   10   11   24
CONECT   11   12   12   16
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15   27
CONECT   15   16   16   28
CONECT   16   17
CONECT   17   18   18   19
CONECT   19   29
END