COMPND    HMDB0039455
HETATM    1  O1  UNL     1      -0.384   0.139   3.269  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.371   0.580   2.700  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.657   0.336   1.292  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.918  -0.372   0.494  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.326  -1.037   0.914  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.528  -0.504   0.260  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.288   0.528   0.772  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.413   1.021   0.144  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.796   0.454  -1.054  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.069  -0.582  -1.607  1.00  0.00           C  
HETATM   11  C10 UNL     1       1.943  -1.040  -0.932  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.268  -0.567  -0.934  1.00  0.00           C  
HETATM   13  N1  UNL     1      -2.471   0.024  -1.376  1.00  0.00           N  
HETATM   14  O2  UNL     1      -2.900  -0.133  -2.671  1.00  0.00           O  
HETATM   15  C12 UNL     1      -3.251   0.792  -0.473  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.902   0.956   0.771  1.00  0.00           C  
HETATM   17  H1  UNL     1      -2.056   1.177   3.275  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.444  -1.161   1.960  1.00  0.00           H  
HETATM   19  H3  UNL     1       0.273  -2.129   0.521  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.966   0.964   1.722  1.00  0.00           H  
HETATM   21  H5  UNL     1       4.001   1.833   0.558  1.00  0.00           H  
HETATM   22  H6  UNL     1       4.684   0.806  -1.599  1.00  0.00           H  
HETATM   23  H7  UNL     1       3.368  -1.023  -2.540  1.00  0.00           H  
HETATM   24  H8  UNL     1       1.417  -1.868  -1.433  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.376  -1.682  -1.102  1.00  0.00           H  
HETATM   26  H10 UNL     1      -0.373  -0.286  -1.556  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.884  -0.032  -2.652  1.00  0.00           H  
HETATM   28  H12 UNL     1      -4.170   1.245  -0.874  1.00  0.00           H  
HETATM   29  H13 UNL     1      -3.536   1.561   1.443  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4    4   16
CONECT    4    5   12
CONECT    5    6   18   19
CONECT    6    7    7   11
CONECT    7    8   20
CONECT    8    9    9   21
CONECT    9   10   22
CONECT   10   11   11   23
CONECT   11   24
CONECT   12   13   25   26
CONECT   13   14   15
CONECT   14   27
CONECT   15   16   16   28
CONECT   16   29
END