COMPND    HMDB0094768
HETATM    1  C1  UNL     1      -4.086   1.065   1.248  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.310  -0.103   0.713  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.856   0.181  -0.721  1.00  0.00           C  
HETATM    4  O1  UNL     1      -4.014   0.386  -1.466  1.00  0.00           O  
HETATM    5  C4  UNL     1      -2.139  -1.040  -1.261  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.950  -1.388  -0.454  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.250  -1.413  -0.978  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.470  -1.758  -0.203  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.416  -0.622  -0.230  1.00  0.00           C  
HETATM   10  O2  UNL     1       2.911  -0.161  -1.438  1.00  0.00           O  
HETATM   11  N1  UNL     1       2.798  -0.042   0.844  1.00  0.00           N  
HETATM   12  C9  UNL     1       3.717   1.057   0.771  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.847   0.842   1.702  1.00  0.00           C  
HETATM   14  O3  UNL     1       4.893  -0.178   2.400  1.00  0.00           O  
HETATM   15  O4  UNL     1       5.856   1.769   1.804  1.00  0.00           O  
HETATM   16  H1  UNL     1      -4.456   1.693   0.400  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.418   1.680   1.914  1.00  0.00           H  
HETATM   18  H3  UNL     1      -4.960   0.695   1.814  1.00  0.00           H  
HETATM   19  H4  UNL     1      -2.401  -0.249   1.328  1.00  0.00           H  
HETATM   20  H5  UNL     1      -3.956  -0.990   0.698  1.00  0.00           H  
HETATM   21  H6  UNL     1      -2.248   1.095  -0.783  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.866   1.030  -2.182  1.00  0.00           H  
HETATM   23  H8  UNL     1      -1.805  -0.813  -2.291  1.00  0.00           H  
HETATM   24  H9  UNL     1      -2.884  -1.854  -1.319  1.00  0.00           H  
HETATM   25  H10 UNL     1      -1.037  -1.635   0.601  1.00  0.00           H  
HETATM   26  H11 UNL     1       0.371  -1.173  -2.027  1.00  0.00           H  
HETATM   27  H12 UNL     1       1.228  -1.984   0.854  1.00  0.00           H  
HETATM   28  H13 UNL     1       1.916  -2.690  -0.616  1.00  0.00           H  
HETATM   29  H14 UNL     1       2.532   0.710  -1.794  1.00  0.00           H  
HETATM   30  H15 UNL     1       4.117   1.206  -0.273  1.00  0.00           H  
HETATM   31  H16 UNL     1       3.247   2.021   1.053  1.00  0.00           H  
HETATM   32  H17 UNL     1       5.817   2.661   1.349  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   19   20
CONECT    3    4    5   21
CONECT    4   22
CONECT    5    6   23   24
CONECT    6    7    7   25
CONECT    7    8   26
CONECT    8    9   27   28
CONECT    9   10   11   11
CONECT   10   29
CONECT   11   12
CONECT   12   13   30   31
CONECT   13   14   14   15
CONECT   15   32
END