COMPND    HMDB0015679
HETATM    1  O1  UNL     1      -0.623   1.119   1.417  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.909   0.389   0.451  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.088  -0.250  -0.319  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.496  -0.155  -0.112  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.093   0.580   0.878  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.471   0.590   0.972  1.00  0.00           C  
HETATM    7  C5  UNL     1       4.293  -0.106   0.117  1.00  0.00           C  
HETATM    8  N2  UNL     1       5.689  -0.065   0.252  1.00  0.00           N1+
HETATM    9  O2  UNL     1       6.211   0.616   1.168  1.00  0.00           O  
HETATM   10  O3  UNL     1       6.526  -0.744  -0.579  1.00  0.00           O1-
HETATM   11  C6  UNL     1       3.684  -0.835  -0.866  1.00  0.00           C  
HETATM   12  C7  UNL     1       2.321  -0.854  -0.971  1.00  0.00           C  
HETATM   13 CL1  UNL     1       1.643  -1.835  -2.287  1.00  0.00          CL  
HETATM   14  C8  UNL     1      -2.330   0.205   0.128  1.00  0.00           C  
HETATM   15  C9  UNL     1      -2.740  -0.597  -0.938  1.00  0.00           C  
HETATM   16  C10 UNL     1      -4.067  -0.801  -1.281  1.00  0.00           C  
HETATM   17 CL2  UNL     1      -4.448  -1.830  -2.640  1.00  0.00          CL  
HETATM   18  C11 UNL     1      -5.047  -0.187  -0.541  1.00  0.00           C  
HETATM   19  C12 UNL     1      -4.670   0.603   0.506  1.00  0.00           C  
HETATM   20  C13 UNL     1      -3.331   0.825   0.875  1.00  0.00           C  
HETATM   21  O4  UNL     1      -3.084   1.633   1.938  1.00  0.00           O  
HETATM   22  H1  UNL     1      -0.188  -0.867  -1.137  1.00  0.00           H  
HETATM   23  H2  UNL     1       1.507   1.145   1.578  1.00  0.00           H  
HETATM   24  H3  UNL     1       3.901   1.193   1.782  1.00  0.00           H  
HETATM   25  H4  UNL     1       4.312  -1.392  -1.554  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.959  -1.085  -1.524  1.00  0.00           H  
HETATM   27  H6  UNL     1      -6.108  -0.311  -0.766  1.00  0.00           H  
HETATM   28  H7  UNL     1      -5.452   1.097   1.101  1.00  0.00           H  
HETATM   29  H8  UNL     1      -2.279   1.917   2.355  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   14
CONECT    3    4   22
CONECT    4    5    5   12
CONECT    5    6   23
CONECT    6    7    7   24
CONECT    7    8   11
CONECT    8    9    9   10
CONECT   11   12   12   25
CONECT   12   13
CONECT   14   15   15   20
CONECT   15   16   26
CONECT   16   17   18   18
CONECT   18   19   27
CONECT   19   20   20   28
CONECT   20   21
CONECT   21   29
END