COMPND    HMDB0244656
HETATM    1  O1  UNL     1       0.885  -0.338   0.708  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.131  -0.091  -0.495  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.119   0.352  -1.383  1.00  0.00           N  
HETATM    4  C2  UNL     1      -1.233   0.569  -1.088  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.009   1.370  -1.959  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.331   1.573  -1.710  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.001   1.039  -0.635  1.00  0.00           C  
HETATM    8  N2  UNL     1      -5.316   1.256  -0.422  1.00  0.00           N  
HETATM    9  C6  UNL     1      -5.959   0.718   0.633  1.00  0.00           C  
HETATM   10  C7  UNL     1      -5.269  -0.079   1.531  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.933  -0.297   1.313  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.258   0.258   0.220  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.909   0.037  -0.012  1.00  0.00           C  
HETATM   14  O2  UNL     1       2.431  -0.270  -0.908  1.00  0.00           O  
HETATM   15  N3  UNL     1       3.503  -0.676  -0.200  1.00  0.00           N  
HETATM   16  C11 UNL     1       3.686  -0.906   1.210  1.00  0.00           C  
HETATM   17  O3  UNL     1       2.861  -1.305   2.022  1.00  0.00           O  
HETATM   18  C12 UNL     1       5.130  -0.543   1.459  1.00  0.00           C  
HETATM   19  C13 UNL     1       5.808  -1.066   0.223  1.00  0.00           C  
HETATM   20  C14 UNL     1       4.777  -0.968  -0.815  1.00  0.00           C  
HETATM   21  O4  UNL     1       4.935  -1.108  -2.056  1.00  0.00           O  
HETATM   22  H1  UNL     1       0.418   0.536  -2.397  1.00  0.00           H  
HETATM   23  H2  UNL     1      -1.484   1.799  -2.813  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.920   2.194  -2.389  1.00  0.00           H  
HETATM   25  H4  UNL     1      -7.029   0.920   0.769  1.00  0.00           H  
HETATM   26  H5  UNL     1      -5.817  -0.492   2.364  1.00  0.00           H  
HETATM   27  H6  UNL     1      -3.368  -0.908   1.988  1.00  0.00           H  
HETATM   28  H7  UNL     1      -1.374  -0.598   0.698  1.00  0.00           H  
HETATM   29  H8  UNL     1       5.240   0.579   1.404  1.00  0.00           H  
HETATM   30  H9  UNL     1       5.522  -0.971   2.381  1.00  0.00           H  
HETATM   31  H10 UNL     1       6.020  -2.154   0.375  1.00  0.00           H  
HETATM   32  H11 UNL     1       6.746  -0.514  -0.020  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   14
CONECT    3    4   22
CONECT    4    5    5   13
CONECT    5    6   23
CONECT    6    7    7   24
CONECT    7    8   12
CONECT    8    9    9
CONECT    9   10   25
CONECT   10   11   11   26
CONECT   11   12   27
CONECT   12   13   13
CONECT   13   28
CONECT   14   15
CONECT   15   16   20
CONECT   16   17   17   18
CONECT   18   19   29   30
CONECT   19   20   31   32
CONECT   20   21   21
END