COMPND    HMDB0253015
HETATM    1  N1  UNL     1       2.401   1.442   2.436  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.094   0.013   2.430  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.829  -0.359   1.011  1.00  0.00           C  
HETATM    4  O1  UNL     1       2.879  -0.144   0.115  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.692  -0.850   0.650  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.528  -1.181  -0.745  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.926  -1.295  -1.149  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.657  -0.048  -0.930  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.743   0.909  -1.897  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.431   2.090  -1.701  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.041   2.291  -0.488  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.988   1.350   0.538  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.284   0.189   0.278  1.00  0.00           C  
HETATM   14  C11 UNL     1       1.265  -2.417  -1.069  1.00  0.00           C  
HETATM   15  O2  UNL     1       1.236  -2.859  -2.246  1.00  0.00           O  
HETATM   16  O3  UNL     1       2.006  -3.150  -0.154  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.394   1.624   2.697  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.085   1.926   1.586  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.257  -0.240   3.101  1.00  0.00           H  
HETATM   20  H4  UNL     1       3.045  -0.519   2.707  1.00  0.00           H  
HETATM   21  H5  UNL     1       2.812   0.481  -0.668  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.937  -0.307  -1.322  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.923  -1.500  -2.250  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.425  -2.152  -0.680  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.250   0.721  -2.845  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.483   2.841  -2.496  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.583   3.206  -0.315  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.471   1.509   1.497  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.238  -0.556   1.080  1.00  0.00           H  
HETATM   30  H14 UNL     1       1.982  -3.015   0.829  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   19   20
CONECT    3    4    5    5
CONECT    4   21
CONECT    5    6
CONECT    6    7   14   22
CONECT    7    8   23   24
CONECT    8    9    9   13
CONECT    9   10   25
CONECT   10   11   11   26
CONECT   11   12   27
CONECT   12   13   13   28
CONECT   13   29
CONECT   14   15   15   16
CONECT   16   30
END