COMPND    HMDB0246984
HETATM    1  O1  UNL     1       0.165   1.969  -1.716  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.086   1.037  -0.904  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.230   0.492  -0.355  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.492   0.939  -0.669  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.635   0.390  -0.117  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.550  -0.648   0.787  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.290  -1.106   1.111  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.143  -0.550   0.552  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.086  -0.990   0.863  1.00  0.00           N  
HETATM   10  C8  UNL     1      -1.216  -0.473   0.340  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.469  -0.957   0.687  1.00  0.00           C  
HETATM   12  C10 UNL     1      -3.637  -0.432   0.154  1.00  0.00           C  
HETATM   13  C11 UNL     1      -3.568   0.601  -0.747  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.329   1.089  -1.099  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.172   0.568  -0.570  1.00  0.00           C  
HETATM   16  H1  UNL     1       2.607   1.758  -1.380  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.604   0.761  -0.382  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.454  -1.080   1.222  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.209  -1.919   1.819  1.00  0.00           H  
HETATM   20  H5  UNL     1      -0.142  -1.779   1.551  1.00  0.00           H  
HETATM   21  H6  UNL     1      -2.486  -1.766   1.395  1.00  0.00           H  
HETATM   22  H7  UNL     1      -4.608  -0.825   0.438  1.00  0.00           H  
HETATM   23  H8  UNL     1      -4.478   1.022  -1.172  1.00  0.00           H  
HETATM   24  H9  UNL     1      -2.277   1.901  -1.807  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   15
CONECT    3    4    4    8
CONECT    4    5   16
CONECT    5    6    6   17
CONECT    6    7   18
CONECT    7    8    8   19
CONECT    8    9
CONECT    9   10   20
CONECT   10   11   11   15
CONECT   11   12   21
CONECT   12   13   13   22
CONECT   13   14   23
CONECT   14   15   15   24
END