COMPND    HMDB0040075
HETATM    1  C1  UNL     1       3.759   0.290   0.727  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.038  -0.113  -0.541  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.562  -0.019  -0.319  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.714   0.958  -0.489  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.554   0.789  -0.220  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.535   1.930  -0.400  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.946  -0.434   0.239  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.255  -1.015   0.622  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.049  -1.441  -0.605  1.00  0.00           C  
HETATM   10  S1  UNL     1       0.566  -1.277   0.255  1.00  0.00           S  
HETATM   11  H1  UNL     1       4.836   0.053   0.616  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.569   1.351   0.948  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.371  -0.303   1.581  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.319   0.567  -1.364  1.00  0.00           H  
HETATM   15  H5  UNL     1       3.270  -1.183  -0.746  1.00  0.00           H  
HETATM   16  H6  UNL     1      -2.558   1.582  -0.553  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.435   2.519   0.555  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.225   2.613  -1.199  1.00  0.00           H  
HETATM   19  H9  UNL     1      -2.078  -1.942   1.212  1.00  0.00           H  
HETATM   20  H10 UNL     1      -2.836  -0.270   1.207  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.401  -2.236  -1.087  1.00  0.00           H  
HETATM   22  H12 UNL     1      -4.030  -1.847  -0.330  1.00  0.00           H  
HETATM   23  H13 UNL     1      -3.104  -0.573  -1.281  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4    4   10
CONECT    4    5
CONECT    5    6    7    7
CONECT    6   16   17   18
CONECT    7    8   10
CONECT    8    9   19   20
CONECT    9   21   22   23
END