COMPND    HMDB0013840
HETATM    1  C1  UNL     1       0.855   1.658  -0.586  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.064   0.358   0.013  1.00  0.00           N  
HETATM    3  C2  UNL     1       2.217  -0.186   0.419  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.559   0.447   0.338  1.00  0.00           C  
HETATM    5  O1  UNL     1       4.553  -0.370   0.840  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.944  -1.437   0.926  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.592  -1.605   0.802  1.00  0.00           C  
HETATM    8  O2  UNL     1      -0.103  -2.613   1.141  1.00  0.00           O  
HETATM    9  N2  UNL     1       0.061  -0.496   0.239  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.312  -0.289  -0.051  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.020  -1.153  -0.870  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.350  -0.965  -1.160  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.997   0.115  -0.621  1.00  0.00           C  
HETATM   14  C10 UNL     1      -3.341   0.995   0.192  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.994   0.782   0.471  1.00  0.00           C  
HETATM   16  H1  UNL     1       1.724   1.928  -1.222  1.00  0.00           H  
HETATM   17  H2  UNL     1      -0.031   1.683  -1.245  1.00  0.00           H  
HETATM   18  H3  UNL     1       0.814   2.459   0.207  1.00  0.00           H  
HETATM   19  H4  UNL     1       3.787   0.592  -0.756  1.00  0.00           H  
HETATM   20  H5  UNL     1       3.546   1.454   0.775  1.00  0.00           H  
HETATM   21  H6  UNL     1       4.582  -1.185   0.297  1.00  0.00           H  
HETATM   22  H7  UNL     1       2.634  -2.163   1.344  1.00  0.00           H  
HETATM   23  H8  UNL     1      -1.502  -2.003  -1.292  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.903  -1.634  -1.796  1.00  0.00           H  
HETATM   25  H10 UNL     1      -5.050   0.300  -0.826  1.00  0.00           H  
HETATM   26  H11 UNL     1      -3.829   1.848   0.625  1.00  0.00           H  
HETATM   27  H12 UNL     1      -1.502   1.479   1.106  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    9
CONECT    3    4    6    6
CONECT    4    5   19   20
CONECT    5   21
CONECT    6    7   22
CONECT    7    8    8    9
CONECT    9   10
CONECT   10   11   11   15
CONECT   11   12   23
CONECT   12   13   13   24
CONECT   13   14   25
CONECT   14   15   15   26
CONECT   15   27
END