COMPND    HMDB0250338
HETATM    1  C1  UNL     1       1.574   3.917  -0.037  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.476   2.582  -0.400  1.00  0.00           N  
HETATM    3  C2  UNL     1       1.382   1.291  -0.749  1.00  0.00           C  
HETATM    4  O1  UNL     1       2.343   0.440  -0.708  1.00  0.00           O  
HETATM    5  O2  UNL     1       0.122   0.730  -1.224  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.273  -0.637  -1.536  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.791  -1.014  -2.750  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.946  -2.351  -3.055  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.565  -3.278  -2.104  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.048  -2.922  -0.893  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.114  -1.554  -0.575  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.608  -1.142   0.577  1.00  0.00           O  
HETATM   13  C9  UNL     1      -1.087  -0.833   1.719  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.512  -1.551   1.802  1.00  0.00           C  
HETATM   15 CL1  UNL     1      -3.445  -0.892   0.451  1.00  0.00          CL  
HETATM   16  O4  UNL     1      -1.199   0.397   2.084  1.00  0.00           O  
HETATM   17  C11 UNL     1      -1.258   1.535   2.495  1.00  0.00           C  
HETATM   18  H1  UNL     1       1.355   4.624  -0.900  1.00  0.00           H  
HETATM   19  H2  UNL     1       0.670   4.136   0.643  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.473   4.293   0.505  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.833   2.426  -0.252  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.083  -0.248  -3.484  1.00  0.00           H  
HETATM   23  H6  UNL     1       1.351  -2.637  -3.989  1.00  0.00           H  
HETATM   24  H7  UNL     1       0.704  -4.327  -2.387  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.236  -3.654  -0.173  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.522  -1.435   2.548  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.948  -1.382   2.775  1.00  0.00           H  
HETATM   28  H11 UNL     1      -2.261  -2.603   1.595  1.00  0.00           H  
HETATM   29  H12 UNL     1      -1.695   1.690   3.549  1.00  0.00           H  
HETATM   30  H13 UNL     1      -1.855   2.328   1.878  1.00  0.00           H  
HETATM   31  H14 UNL     1      -0.247   2.072   2.591  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21
CONECT    3    4    4    5
CONECT    5    6
CONECT    6    7    7   11
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   11   12
CONECT   12   13
CONECT   13   14   16   26
CONECT   14   15   27   28
CONECT   16   17
CONECT   17   29   30   31
END