COMPND    HMDB0301880
HETATM    1  O1  UNL     1      -6.100   0.017   0.064  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.704   0.087   0.003  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.094   1.314  -0.106  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.722   1.413  -0.168  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.906   0.307  -0.126  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.453   0.367  -0.189  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.180   1.576  -0.296  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.579   1.664  -0.359  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.264   0.473  -0.306  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.636   0.519  -0.364  1.00  0.00           C  
HETATM   11  O2  UNL     1       4.395   1.664  -0.473  1.00  0.00           O  
HETATM   12  C10 UNL     1       4.330  -0.686  -0.311  1.00  0.00           C  
HETATM   13  C11 UNL     1       3.691  -1.909  -0.202  1.00  0.00           C  
HETATM   14  O3  UNL     1       4.430  -3.093  -0.151  1.00  0.00           O  
HETATM   15  C12 UNL     1       2.314  -1.924  -0.145  1.00  0.00           C  
HETATM   16  C13 UNL     1       1.582  -0.744  -0.195  1.00  0.00           C  
HETATM   17  O4  UNL     1       0.289  -0.720  -0.145  1.00  0.00           O1+
HETATM   18  C14 UNL     1      -2.559  -0.928  -0.015  1.00  0.00           C  
HETATM   19  C15 UNL     1      -3.924  -1.029   0.047  1.00  0.00           C  
HETATM   20 CL1  UNL     1       0.000   0.000   0.000  1.00  0.00          CL1-
HETATM   21  H1  UNL     1      -6.556   0.052   0.965  1.00  0.00           H  
HETATM   22  H2  UNL     1      -4.702   2.196  -0.141  1.00  0.00           H  
HETATM   23  H3  UNL     1      -2.297   2.404  -0.252  1.00  0.00           H  
HETATM   24  H4  UNL     1      -0.330   2.520  -0.340  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.082   2.613  -0.444  1.00  0.00           H  
HETATM   26  H6  UNL     1       4.094   2.602  -0.524  1.00  0.00           H  
HETATM   27  H7  UNL     1       5.422  -0.670  -0.356  1.00  0.00           H  
HETATM   28  H8  UNL     1       4.698  -3.400   0.784  1.00  0.00           H  
HETATM   29  H9  UNL     1       1.764  -2.868  -0.058  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.970  -1.833   0.022  1.00  0.00           H  
HETATM   31  H11 UNL     1      -4.434  -1.987   0.133  1.00  0.00           H  
CONECT    1    2   21
CONECT    2    3    3   19
CONECT    3    4   22
CONECT    4    5    5   23
CONECT    5    6   18
CONECT    6    7    7   17
CONECT    7    8   24
CONECT    8    9    9   25
CONECT    9   10   16
CONECT   10   11   12   12
CONECT   11   26
CONECT   12   13   27
CONECT   13   14   15   15
CONECT   14   28
CONECT   15   16   29
CONECT   16   17   17
CONECT   18   19   19   30
CONECT   19   31
END