COMPND    HMDB0015412
HETATM    1  C1  UNL     1       5.038  -0.701   1.210  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.806  -0.006   1.721  1.00  0.00           C  
HETATM    3  N1  UNL     1       2.814   0.217   0.720  1.00  0.00           N  
HETATM    4  C3  UNL     1       2.851   1.377   0.010  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.921   1.652  -0.969  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.908   0.737  -1.259  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.031   1.043  -2.267  1.00  0.00           N  
HETATM    8  S1  UNL     1      -1.285  -0.052  -2.647  1.00  0.00           S  
HETATM    9  O1  UNL     1      -0.726  -1.366  -3.116  1.00  0.00           O  
HETATM   10  O2  UNL     1      -2.096   0.509  -3.774  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.321  -0.317  -1.272  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.108  -1.368  -0.411  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.961  -1.543   0.685  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.019  -0.702   0.946  1.00  0.00           C  
HETATM   15  N3  UNL     1      -4.879  -0.896   2.070  1.00  0.00           N  
HETATM   16  C10 UNL     1      -4.224   0.349   0.076  1.00  0.00           C  
HETATM   17  C11 UNL     1      -3.391   0.534  -1.008  1.00  0.00           C  
HETATM   18  N4  UNL     1       0.912  -0.381  -0.541  1.00  0.00           N  
HETATM   19  C12 UNL     1       1.821  -0.626   0.402  1.00  0.00           C  
HETATM   20  O3  UNL     1       1.773  -1.710   1.054  1.00  0.00           O  
HETATM   21  H1  UNL     1       4.869  -1.745   0.920  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.519  -0.088   0.426  1.00  0.00           H  
HETATM   23  H3  UNL     1       5.771  -0.724   2.062  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.128   0.979   2.118  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.420  -0.574   2.605  1.00  0.00           H  
HETATM   26  H6  UNL     1       3.627   2.087   0.227  1.00  0.00           H  
HETATM   27  H7  UNL     1       1.952   2.582  -1.538  1.00  0.00           H  
HETATM   28  H8  UNL     1       0.058   1.954  -2.774  1.00  0.00           H  
HETATM   29  H9  UNL     1      -1.296  -2.067  -0.562  1.00  0.00           H  
HETATM   30  H10 UNL     1      -2.814  -2.370   1.385  1.00  0.00           H  
HETATM   31  H11 UNL     1      -5.773  -1.431   1.917  1.00  0.00           H  
HETATM   32  H12 UNL     1      -4.668  -0.539   3.018  1.00  0.00           H  
HETATM   33  H13 UNL     1      -5.057   1.024   0.268  1.00  0.00           H  
HETATM   34  H14 UNL     1      -3.539   1.353  -1.700  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3   24   25
CONECT    3    4   19
CONECT    4    5    5   26
CONECT    5    6   27
CONECT    6    7   18   18
CONECT    7    8   28
CONECT    8    9    9   10   10
CONECT    8   11
CONECT   11   12   12   17
CONECT   12   13   29
CONECT   13   14   14   30
CONECT   14   15   16
CONECT   15   31   32
CONECT   16   17   17   33
CONECT   17   34
CONECT   18   19
CONECT   19   20   20
END