COMPND    HMDB0041200
HETATM    1  O1  UNL     1       0.117   4.453  -1.558  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.828   3.631  -1.505  1.00  0.00           C  
HETATM    3  O2  UNL     1      -2.098   3.923  -1.923  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.559   2.281  -0.966  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.695   1.909  -0.524  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.985   0.664  -0.016  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.068  -0.250   0.042  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.448  -1.373   0.563  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.773  -1.199   0.832  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.761  -2.005   1.359  1.00  0.00           C  
HETATM   11  C8  UNL     1       4.063  -1.576   1.533  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.419  -0.292   1.172  1.00  0.00           C  
HETATM   13  C10 UNL     1       3.433   0.519   0.643  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.135   0.080   0.474  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.323   0.118  -0.399  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.425  -0.845  -0.335  1.00  0.00           C  
HETATM   17  C14 UNL     1      -3.727  -0.657  -0.725  1.00  0.00           C  
HETATM   18  C15 UNL     1      -4.386  -1.844  -0.473  1.00  0.00           C  
HETATM   19  C16 UNL     1      -3.473  -2.700   0.054  1.00  0.00           C  
HETATM   20  O3  UNL     1      -2.344  -2.076   0.115  1.00  0.00           O  
HETATM   21  N2  UNL     1      -1.529   1.356  -0.883  1.00  0.00           N  
HETATM   22  H1  UNL     1      -2.651   4.600  -1.416  1.00  0.00           H  
HETATM   23  H2  UNL     1       1.503   2.619  -0.572  1.00  0.00           H  
HETATM   24  H3  UNL     1      -0.057  -2.265   0.750  1.00  0.00           H  
HETATM   25  H4  UNL     1       2.482  -3.025   1.647  1.00  0.00           H  
HETATM   26  H5  UNL     1       4.815  -2.235   1.950  1.00  0.00           H  
HETATM   27  H6  UNL     1       5.422   0.097   1.285  1.00  0.00           H  
HETATM   28  H7  UNL     1       3.678   1.533   0.349  1.00  0.00           H  
HETATM   29  H8  UNL     1      -4.104   0.266  -1.142  1.00  0.00           H  
HETATM   30  H9  UNL     1      -5.451  -1.984  -0.689  1.00  0.00           H  
HETATM   31  H10 UNL     1      -3.707  -3.725   0.354  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   22
CONECT    4    5    5   21
CONECT    5    6   23
CONECT    6    7    7   14
CONECT    7    8   15
CONECT    8    9   24
CONECT    9   10   10   14
CONECT   10   11   25
CONECT   11   12   12   26
CONECT   12   13   27
CONECT   13   14   14   28
CONECT   15   16   21   21
CONECT   16   17   17   20
CONECT   17   18   29
CONECT   18   19   19   30
CONECT   19   20   31
END