COMPND    HMDB0256008
HETATM    1  O1  UNL     1       0.039  -1.744   0.737  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.410  -0.546   0.164  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.391   0.336  -0.253  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.783   0.314  -0.236  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.441  -0.465  -1.192  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.812  -0.550  -1.255  1.00  0.00           C  
HETATM    7 CL1  UNL     1       4.627  -1.534  -2.464  1.00  0.00          CL  
HETATM    8  C5  UNL     1       4.548   0.169  -0.330  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.915   0.952   0.632  1.00  0.00           C  
HETATM   10 CL2  UNL     1       4.803   1.877   1.821  1.00  0.00          CL  
HETATM   11  C7  UNL     1       2.539   1.012   0.664  1.00  0.00           C  
HETATM   12  O2  UNL     1       1.864   1.779   1.605  1.00  0.00           O  
HETATM   13  C8  UNL     1      -1.840  -0.354   0.065  1.00  0.00           C  
HETATM   14  C9  UNL     1      -2.375   0.785  -0.480  1.00  0.00           C  
HETATM   15  O3  UNL     1      -1.678   1.854  -0.986  1.00  0.00           O  
HETATM   16  C10 UNL     1      -3.784   0.846  -0.516  1.00  0.00           C  
HETATM   17 CL3  UNL     1      -4.469   2.320  -1.222  1.00  0.00          CL  
HETATM   18  C11 UNL     1      -4.607  -0.139  -0.051  1.00  0.00           C  
HETATM   19  C12 UNL     1      -4.061  -1.278   0.495  1.00  0.00           C  
HETATM   20 CL4  UNL     1      -5.098  -2.552   1.097  1.00  0.00          CL  
HETATM   21  C13 UNL     1      -2.692  -1.361   0.541  1.00  0.00           C  
HETATM   22 CL5  UNL     1      -2.024  -2.818   1.239  1.00  0.00          CL  
HETATM   23  H1  UNL     1       0.300  -1.827   1.695  1.00  0.00           H  
HETATM   24  H2  UNL     1       1.884  -1.039  -1.931  1.00  0.00           H  
HETATM   25  H3  UNL     1       5.644   0.130  -0.344  1.00  0.00           H  
HETATM   26  H4  UNL     1       0.877   1.853   1.667  1.00  0.00           H  
HETATM   27  H5  UNL     1      -0.728   2.003  -1.053  1.00  0.00           H  
HETATM   28  H6  UNL     1      -5.701  -0.025  -0.110  1.00  0.00           H  
CONECT    1    2   23
CONECT    2    3    3   13
CONECT    3    4
CONECT    4    5    5   11
CONECT    5    6   24
CONECT    6    7    8    8
CONECT    8    9   25
CONECT    9   10   11   11
CONECT   11   12
CONECT   12   26
CONECT   13   14   14   21
CONECT   14   15   16
CONECT   15   27
CONECT   16   17   18   18
CONECT   18   19   28
CONECT   19   20   21   21
CONECT   21   22
END