COMPND    HMDB0059747
HETATM    1  C1  UNL     1      -2.071  -2.106   3.816  1.00  0.00           C  
HETATM    2  O1  UNL     1      -2.942  -2.301   2.712  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.695  -1.779   1.469  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.562  -1.035   1.264  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.259  -0.478   0.015  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.034   0.298  -0.113  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.395   0.886  -1.207  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.631   1.659  -1.303  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.918   2.171  -2.431  1.00  0.00           O  
HETATM   10  N1  UNL     1       2.531   1.881  -0.237  1.00  0.00           N  
HETATM   11  C8  UNL     1       3.747   2.666  -0.412  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.601   2.025  -1.443  1.00  0.00           C  
HETATM   13  O3  UNL     1       4.217   0.974  -1.995  1.00  0.00           O  
HETATM   14  O4  UNL     1       5.828   2.609  -1.783  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.126  -0.682  -1.049  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.256  -1.442  -0.787  1.00  0.00           C  
HETATM   17  C12 UNL     1      -3.562  -1.992   0.433  1.00  0.00           C  
HETATM   18  O5  UNL     1      -4.733  -2.751   0.610  1.00  0.00           O  
HETATM   19  H1  UNL     1      -1.055  -2.472   3.493  1.00  0.00           H  
HETATM   20  H2  UNL     1      -2.012  -1.036   4.095  1.00  0.00           H  
HETATM   21  H3  UNL     1      -2.403  -2.677   4.704  1.00  0.00           H  
HETATM   22  H4  UNL     1      -0.851  -0.844   2.058  1.00  0.00           H  
HETATM   23  H5  UNL     1       0.611   0.426   0.757  1.00  0.00           H  
HETATM   24  H6  UNL     1      -0.250   0.762  -2.092  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.313   1.471   0.691  1.00  0.00           H  
HETATM   26  H8  UNL     1       4.248   2.772   0.559  1.00  0.00           H  
HETATM   27  H9  UNL     1       3.426   3.672  -0.809  1.00  0.00           H  
HETATM   28  H10 UNL     1       6.529   2.062  -2.278  1.00  0.00           H  
HETATM   29  H11 UNL     1      -1.920  -0.269  -2.014  1.00  0.00           H  
HETATM   30  H12 UNL     1      -3.943  -1.608  -1.618  1.00  0.00           H  
HETATM   31  H13 UNL     1      -5.321  -2.863  -0.198  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5   22
CONECT    5    6   15   15
CONECT    6    7    7   23
CONECT    7    8   24
CONECT    8    9    9   10
CONECT   10   11   25
CONECT   11   12   26   27
CONECT   12   13   13   14
CONECT   14   28
CONECT   15   16   29
CONECT   16   17   17   30
CONECT   17   18
CONECT   18   31
END