COMPND    HMDB0247170
HETATM    1  O1  UNL     1      -4.994   2.415   0.335  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.318   1.360   0.172  1.00  0.00           C  
HETATM    3  N1  UNL     1      -4.778   0.032   0.011  1.00  0.00           N  
HETATM    4  C2  UNL     1      -3.819  -0.948  -0.164  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.106  -2.189  -0.319  1.00  0.00           O  
HETATM    6  C3  UNL     1      -2.448  -0.518  -0.161  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.336  -1.194  -0.302  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.030  -0.535  -0.269  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.188   0.649  -0.930  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.424   1.253  -0.817  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.415   0.653  -0.047  1.00  0.00           C  
HETATM   12  N2  UNL     1       3.614   1.254   0.075  1.00  0.00           N  
HETATM   13  C9  UNL     1       4.587   0.700   0.830  1.00  0.00           C  
HETATM   14  C10 UNL     1       4.397  -0.490   1.500  1.00  0.00           C  
HETATM   15  N3  UNL     1       3.195  -1.080   1.370  1.00  0.00           N  
HETATM   16  C11 UNL     1       2.197  -0.538   0.613  1.00  0.00           C  
HETATM   17  C12 UNL     1       0.955  -1.133   0.495  1.00  0.00           C  
HETATM   18  S1  UNL     1      -2.528   1.257   0.098  1.00  0.00           S  
HETATM   19  H1  UNL     1      -5.827  -0.150   0.032  1.00  0.00           H  
HETATM   20  H2  UNL     1      -1.360  -2.258  -0.456  1.00  0.00           H  
HETATM   21  H3  UNL     1      -0.585   1.074  -1.513  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.592   2.186  -1.340  1.00  0.00           H  
HETATM   23  H5  UNL     1       5.555   1.205   0.919  1.00  0.00           H  
HETATM   24  H6  UNL     1       5.181  -0.943   2.107  1.00  0.00           H  
HETATM   25  H7  UNL     1       0.829  -2.058   1.023  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   18
CONECT    3    4   19
CONECT    4    5    5    6
CONECT    6    7    7   18
CONECT    7    8   20
CONECT    8    9    9   17
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   11   12   16
CONECT   12   13   13
CONECT   13   14   23
CONECT   14   15   15   24
CONECT   15   16
CONECT   16   17   17
CONECT   17   25
END