COMPND    HMDB0002215
HETATM    1  C1  UNL     1      -3.686   0.831   0.572  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.235   0.526   0.307  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.684   1.594  -0.352  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.156  -0.758  -0.484  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.757  -1.754   0.310  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.749  -1.158  -0.845  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.186  -0.297  -1.915  1.00  0.00           C  
HETATM    8  N1  UNL     1       1.121   0.240  -1.597  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.762   0.019  -0.521  1.00  0.00           C  
HETATM   10  N2  UNL     1       2.978   0.606  -0.395  1.00  0.00           N  
HETATM   11  C7  UNL     1       3.660   0.375   0.740  1.00  0.00           C  
HETATM   12  N3  UNL     1       4.948   0.989   0.888  1.00  0.00           N  
HETATM   13  N4  UNL     1       3.179  -0.400   1.719  1.00  0.00           N  
HETATM   14  C8  UNL     1       1.980  -1.000   1.635  1.00  0.00           C  
HETATM   15  O3  UNL     1       1.494  -1.731   2.525  1.00  0.00           O  
HETATM   16  C9  UNL     1       1.239  -0.785   0.472  1.00  0.00           C  
HETATM   17  N5  UNL     1       0.086  -1.325   0.320  1.00  0.00           N  
HETATM   18  H1  UNL     1      -4.250   0.996  -0.385  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.732   1.789   1.161  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.186   0.025   1.145  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.761   0.346   1.298  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.108   2.096   0.250  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.767  -0.653  -1.396  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.731  -1.695   0.148  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.852  -2.206  -1.269  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.035  -0.877  -2.878  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.831   0.546  -2.212  1.00  0.00           H  
HETATM   28  H11 UNL     1       3.390   1.219  -1.136  1.00  0.00           H  
HETATM   29  H12 UNL     1       5.438   1.425   0.085  1.00  0.00           H  
HETATM   30  H13 UNL     1       5.431   1.016   1.812  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    4   21
CONECT    3   22
CONECT    4    5    6   23
CONECT    5   24
CONECT    6    7   17   25
CONECT    7    8   26   27
CONECT    8    9    9
CONECT    9   10   16
CONECT   10   11   28
CONECT   11   12   13   13
CONECT   12   29   30
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   17
END