COMPND    HMDB0030906
HETATM    1  C1  UNL     1       2.811  -1.123  -0.266  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.331  -0.891  -0.190  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.520  -1.937   0.048  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.818  -1.824   0.133  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.357  -0.563  -0.036  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.836  -0.437   0.058  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.563   0.509  -0.277  1.00  0.00           N  
HETATM    8  C6  UNL     1      -0.855   1.808  -0.472  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.327   2.504  -0.680  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.353   1.591  -0.607  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.775   0.349  -0.354  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.015  -2.090  -0.783  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.286  -0.320  -0.836  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.172  -1.195   0.785  1.00  0.00           H  
HETATM   15  H4  UNL     1      -1.477  -2.668   0.325  1.00  0.00           H  
HETATM   16  H5  UNL     1      -3.146  -1.010   0.965  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.165   0.591   0.207  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.251  -0.930  -0.842  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.857   2.248  -0.467  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.342   3.565  -0.858  1.00  0.00           H  
HETATM   21  H10 UNL     1       2.394   1.821  -0.726  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    3   11
CONECT    3    4
CONECT    4    5    5   15
CONECT    5    6    7
CONECT    6   16   17   18
CONECT    7    8   11
CONECT    8    9    9   19
CONECT    9   10   20
CONECT   10   11   11   21
END