COMPND    HMDB0039948
HETATM    1  N1  UNL     1       4.702  -0.605  -0.150  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.483   0.080  -0.100  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.470   1.296   0.179  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.206  -0.603  -0.371  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.026   0.373  -0.245  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.215  -0.279  -0.504  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.555  -1.235   0.508  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.034  -1.194   0.727  1.00  0.00           C  
HETATM    9  O2  UNL     1      -2.345  -0.763   2.024  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.559  -0.259  -0.314  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.959  -0.996  -1.431  1.00  0.00           O  
HETATM   12  C7  UNL     1      -1.351   0.595  -0.648  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.330   1.823   0.191  1.00  0.00           C  
HETATM   14  O4  UNL     1      -0.243   2.653  -0.056  1.00  0.00           O  
HETATM   15  H1  UNL     1       5.346  -0.480  -0.949  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.970  -1.247   0.615  1.00  0.00           H  
HETATM   17  H3  UNL     1       2.097  -1.433   0.373  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.162  -0.984  -1.410  1.00  0.00           H  
HETATM   19  H5  UNL     1       1.243   1.150  -1.006  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.008   0.834   0.740  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.025  -0.986   1.432  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.245  -2.274   0.249  1.00  0.00           H  
HETATM   23  H9  UNL     1      -2.472  -2.216   0.563  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.738  -1.521   2.532  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.405   0.370   0.064  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.691  -0.503  -1.915  1.00  0.00           H  
HETATM   27  H13 UNL     1      -1.423   0.885  -1.715  1.00  0.00           H  
HETATM   28  H14 UNL     1      -1.461   1.625   1.276  1.00  0.00           H  
HETATM   29  H15 UNL     1      -2.237   2.422  -0.107  1.00  0.00           H  
HETATM   30  H16 UNL     1      -0.475   3.475  -0.550  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3    3    4
CONECT    4    5   17   18
CONECT    5    6   19   20
CONECT    6    7   12
CONECT    7    8   21   22
CONECT    8    9   10   23
CONECT    9   24
CONECT   10   11   12   25
CONECT   11   26
CONECT   12   13   27
CONECT   13   14   28   29
CONECT   14   30
END