COMPND    HMDB0031731
HETATM    1  C1  UNL     1      -2.701  -1.506   0.657  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.614  -0.481  -0.442  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.994   0.819   0.014  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.961   1.756  -1.165  1.00  0.00           C  
HETATM    5  O1  UNL     1      -2.779   1.435   0.995  1.00  0.00           O  
HETATM    6  C5  UNL     1      -0.588   0.631   0.538  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.298   0.061  -0.524  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.678  -0.162  -0.134  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.005  -1.398   0.413  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.263  -1.722   0.816  1.00  0.00           C  
HETATM   11  C10 UNL     1       4.283  -0.800   0.688  1.00  0.00           C  
HETATM   12  C11 UNL     1       3.990   0.435   0.149  1.00  0.00           C  
HETATM   13  C12 UNL     1       2.707   0.739  -0.251  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.472  -1.226   1.421  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.721  -1.729   1.126  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.075  -2.443   0.195  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.113  -0.918  -1.308  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.669  -0.282  -0.763  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.142   2.515  -1.062  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.762   1.219  -2.120  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.895   2.319  -1.294  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.357   2.300   1.196  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.248   1.628   0.884  1.00  0.00           H  
HETATM   24  H11 UNL     1      -0.632  -0.031   1.428  1.00  0.00           H  
HETATM   25  H12 UNL     1       0.304   0.812  -1.369  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.126  -0.903  -0.872  1.00  0.00           H  
HETATM   27  H14 UNL     1       1.231  -2.157   0.533  1.00  0.00           H  
HETATM   28  H15 UNL     1       3.505  -2.695   1.243  1.00  0.00           H  
HETATM   29  H16 UNL     1       5.284  -1.075   1.015  1.00  0.00           H  
HETATM   30  H17 UNL     1       4.809   1.161   0.052  1.00  0.00           H  
HETATM   31  H18 UNL     1       2.491   1.699  -0.668  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4    5    6
CONECT    4   19   20   21
CONECT    5   22
CONECT    6    7   23   24
CONECT    7    8   25   26
CONECT    8    9    9   13
CONECT    9   10   27
CONECT   10   11   11   28
CONECT   11   12   29
CONECT   12   13   13   30
CONECT   13   31
END