COMPND    HMDB0001200
HETATM    1  N1  UNL     1       2.039   1.496  -3.320  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.674   1.626  -1.885  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.672   0.557  -1.574  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.164   0.553  -0.187  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.535   1.457   0.544  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.731  -0.507   0.222  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.044  -1.515  -0.711  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.858  -2.557  -0.394  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.399  -2.650   0.858  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.092  -1.659   1.776  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.278  -0.603   1.481  1.00  0.00           C  
HETATM   12  N2  UNL     1      -1.057   0.375   2.477  1.00  0.00           N  
HETATM   13  C10 UNL     1      -1.436   0.372   3.818  1.00  0.00           C  
HETATM   14  O2  UNL     1      -2.051  -0.546   4.349  1.00  0.00           O  
HETATM   15  C11 UNL     1       2.936   1.512  -1.109  1.00  0.00           C  
HETATM   16  O3  UNL     1       4.042   1.281  -1.714  1.00  0.00           O  
HETATM   17  O4  UNL     1       3.043   1.635   0.255  1.00  0.00           O  
HETATM   18  H1  UNL     1       1.456   0.762  -3.777  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.873   2.418  -3.784  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.264   2.627  -1.712  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.152   0.570  -2.325  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.181  -0.437  -1.761  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.600  -1.423  -1.717  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.079  -3.324  -1.149  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.062  -3.483   1.145  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.570  -1.803   2.757  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.542   1.269   2.192  1.00  0.00           H  
HETATM   28  H11 UNL     1      -1.187   1.217   4.456  1.00  0.00           H  
HETATM   29  H12 UNL     1       3.259   0.778   0.787  1.00  0.00           H  
CONECT    1    2   18   19
CONECT    2    3   15   20
CONECT    3    4   21   22
CONECT    4    5    5    6
CONECT    6    7    7   11
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   10   25
CONECT   10   11   11   26
CONECT   11   12
CONECT   12   13   27
CONECT   13   14   14   28
CONECT   15   16   16   17
CONECT   17   29
END