COMPND    HMDB0062766
HETATM    1  C1  UNL     1       4.375   0.424   0.886  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.089  -0.854   0.152  1.00  0.00           C  
HETATM    3  N1  UNL     1       2.765  -1.346   0.345  1.00  0.00           N  
HETATM    4  C3  UNL     1       1.605  -0.611  -0.014  1.00  0.00           C  
HETATM    5  N2  UNL     1       1.782   0.604  -0.559  1.00  0.00           N  
HETATM    6  C4  UNL     1       0.695   1.307  -0.902  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.817   2.570  -1.470  1.00  0.00           O  
HETATM    8  N3  UNL     1      -0.533   0.806  -0.702  1.00  0.00           N  
HETATM    9  C5  UNL     1      -0.729  -0.393  -0.164  1.00  0.00           C  
HETATM   10  N4  UNL     1      -2.045  -0.917   0.044  1.00  0.00           N  
HETATM   11  C6  UNL     1      -3.166  -0.093  -0.353  1.00  0.00           C  
HETATM   12  C7  UNL     1      -4.428  -0.888  -0.031  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.116   1.193   0.436  1.00  0.00           C  
HETATM   14  N5  UNL     1       0.372  -1.100   0.180  1.00  0.00           N  
HETATM   15  H1  UNL     1       5.470   0.487   1.047  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.090   1.327   0.306  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.900   0.379   1.871  1.00  0.00           H  
HETATM   18  H4  UNL     1       4.851  -1.605   0.442  1.00  0.00           H  
HETATM   19  H5  UNL     1       4.246  -0.689  -0.948  1.00  0.00           H  
HETATM   20  H6  UNL     1       2.638  -2.287   0.768  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.051   2.625  -2.463  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.137  -1.865   0.471  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.130   0.179  -1.427  1.00  0.00           H  
HETATM   24  H10 UNL     1      -4.209  -1.961  -0.211  1.00  0.00           H  
HETATM   25  H11 UNL     1      -4.688  -0.768   1.049  1.00  0.00           H  
HETATM   26  H12 UNL     1      -5.270  -0.603  -0.678  1.00  0.00           H  
HETATM   27  H13 UNL     1      -3.189   2.082  -0.220  1.00  0.00           H  
HETATM   28  H14 UNL     1      -2.157   1.260   0.973  1.00  0.00           H  
HETATM   29  H15 UNL     1      -3.946   1.158   1.171  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   18   19
CONECT    3    4   20
CONECT    4    5    5   14
CONECT    5    6
CONECT    6    7    8    8
CONECT    7   21
CONECT    8    9
CONECT    9   10   14   14
CONECT   10   11   22
CONECT   11   12   13   23
CONECT   12   24   25   26
CONECT   13   27   28   29
END