COMPND    HMDB0251165
HETATM    1  C1  UNL     1      -3.518  -0.198   0.109  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.878   0.857   0.726  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.518   1.006   0.744  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.680   0.054   0.113  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.325  -0.981  -0.491  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.722  -1.131  -0.509  1.00  0.00           C  
HETATM    7  S1  UNL     1      -0.038  -1.920  -1.139  1.00  0.00           S  
HETATM    8  C7  UNL     1       1.274  -0.966  -0.621  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.668  -1.081  -0.767  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.504  -0.134  -0.228  1.00  0.00           C  
HETATM   11  C10 UNL     1       2.937   0.916   0.450  1.00  0.00           C  
HETATM   12  C11 UNL     1       1.581   1.006   0.579  1.00  0.00           C  
HETATM   13  C12 UNL     1       0.680   0.063   0.045  1.00  0.00           C  
HETATM   14  H1  UNL     1      -4.585  -0.317   0.093  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.542   1.577   1.205  1.00  0.00           H  
HETATM   16  H3  UNL     1      -1.118   1.870   1.256  1.00  0.00           H  
HETATM   17  H4  UNL     1      -3.098  -1.996  -1.022  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.002  -1.939  -1.314  1.00  0.00           H  
HETATM   19  H6  UNL     1       4.565  -0.238  -0.349  1.00  0.00           H  
HETATM   20  H7  UNL     1       3.592   1.685   0.889  1.00  0.00           H  
HETATM   21  H8  UNL     1       1.219   1.864   1.127  1.00  0.00           H  
CONECT    1    2    2    6   14
CONECT    2    3   15
CONECT    3    4    4   16
CONECT    4    5   13
CONECT    5    6    6    7
CONECT    6   17
CONECT    7    8
CONECT    8    9    9   13
CONECT    9   10   18
CONECT   10   11   11   19
CONECT   11   12   20
CONECT   12   13   13   21
END