COMPND    HMDB0013031
HETATM    1  C1  UNL     1      -2.389   2.111   0.547  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.540   1.099  -0.166  1.00  0.00           C  
HETATM    3  O1  UNL     1      -0.322   0.994   0.504  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.635   0.303  -0.285  1.00  0.00           C  
HETATM    5  N1  UNL     1      -0.112  -0.464  -1.219  1.00  0.00           N  
HETATM    6  C4  UNL     1      -1.152  -1.261  -0.598  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.713  -2.084   0.566  1.00  0.00           C  
HETATM    8  N2  UNL     1       0.491  -1.642   1.217  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.356  -0.675   0.592  1.00  0.00           C  
HETATM   10  N3  UNL     1       2.611  -0.677   0.753  1.00  0.00           N  
HETATM   11  C7  UNL     1       3.454   0.266   0.095  1.00  0.00           C  
HETATM   12  N4  UNL     1       4.856   0.240   0.304  1.00  0.00           N  
HETATM   13  N5  UNL     1       2.929   1.134  -0.684  1.00  0.00           N  
HETATM   14  C8  UNL     1       1.540   1.231  -0.952  1.00  0.00           C  
HETATM   15  O2  UNL     1       1.120   2.099  -1.746  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.248  -0.263  -0.196  1.00  0.00           C  
HETATM   17  O3  UNL     1      -2.807  -0.586   1.015  1.00  0.00           O  
HETATM   18  H1  UNL     1      -3.168   1.576   1.157  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.909   2.776  -0.168  1.00  0.00           H  
HETATM   20  H3  UNL     1      -1.779   2.762   1.209  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.337   1.388  -1.215  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.431  -0.967  -1.931  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.558  -1.936  -1.386  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.614  -3.159   0.273  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.517  -2.085   1.356  1.00  0.00           H  
HETATM   26  H9  UNL     1       0.756  -2.022   2.155  1.00  0.00           H  
HETATM   27  H10 UNL     1       5.475   0.883  -0.220  1.00  0.00           H  
HETATM   28  H11 UNL     1       5.270  -0.440   0.998  1.00  0.00           H  
HETATM   29  H12 UNL     1      -2.981  -0.207  -1.005  1.00  0.00           H  
HETATM   30  H13 UNL     1      -3.780  -0.396   0.992  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   16   21
CONECT    3    4
CONECT    4    5    9   14
CONECT    5    6   22
CONECT    6    7   16   23
CONECT    7    8   24   25
CONECT    8    9   26
CONECT    9   10   10
CONECT   10   11
CONECT   11   12   13   13
CONECT   12   27   28
CONECT   13   14
CONECT   14   15   15
CONECT   16   17   29
CONECT   17   30
END