COMPND    HMDB0003040
HETATM    1  O1  UNL     1       5.499  -0.831  -0.788  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.521  -0.135  -0.393  1.00  0.00           C  
HETATM    3  N1  UNL     1       4.665   1.150  -0.021  1.00  0.00           N  
HETATM    4  C2  UNL     1       3.626   1.871   0.393  1.00  0.00           C  
HETATM    5  N2  UNL     1       2.399   1.348   0.456  1.00  0.00           N  
HETATM    6  C3  UNL     1       2.168   0.059   0.099  1.00  0.00           C  
HETATM    7  C4  UNL     1       3.254  -0.686  -0.332  1.00  0.00           C  
HETATM    8  N3  UNL     1       2.804  -1.907  -0.627  1.00  0.00           N  
HETATM    9  C5  UNL     1       1.472  -1.918  -0.387  1.00  0.00           C  
HETATM   10  N4  UNL     1       1.076  -0.713   0.060  1.00  0.00           N  
HETATM   11  C6  UNL     1      -0.276  -0.341   0.423  1.00  0.00           C  
HETATM   12  O2  UNL     1      -0.741   0.767  -0.236  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.084   0.652  -0.445  1.00  0.00           C  
HETATM   14  C8  UNL     1      -2.904   1.653   0.375  1.00  0.00           C  
HETATM   15  O3  UNL     1      -2.503   2.928   0.005  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.533  -0.717  -0.067  1.00  0.00           C  
HETATM   17  O4  UNL     1      -3.395  -1.280  -1.001  1.00  0.00           O  
HETATM   18  C10 UNL     1      -1.225  -1.476   0.039  1.00  0.00           C  
HETATM   19  O5  UNL     1      -1.255  -2.470   0.998  1.00  0.00           O  
HETATM   20  H1  UNL     1       3.802   2.897   0.679  1.00  0.00           H  
HETATM   21  H2  UNL     1       1.599   1.937   0.785  1.00  0.00           H  
HETATM   22  H3  UNL     1       0.820  -2.789  -0.537  1.00  0.00           H  
HETATM   23  H4  UNL     1      -0.302  -0.187   1.515  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.296   0.798  -1.523  1.00  0.00           H  
HETATM   25  H6  UNL     1      -2.679   1.499   1.447  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.959   1.451   0.165  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.175   3.321  -0.623  1.00  0.00           H  
HETATM   28  H9  UNL     1      -2.997  -0.702   0.961  1.00  0.00           H  
HETATM   29  H10 UNL     1      -3.473  -2.256  -0.841  1.00  0.00           H  
HETATM   30  H11 UNL     1      -0.941  -1.854  -0.969  1.00  0.00           H  
HETATM   31  H12 UNL     1      -0.968  -2.068   1.859  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    7
CONECT    3    4    4
CONECT    4    5   20
CONECT    5    6   21
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   22
CONECT   10   11
CONECT   11   12   18   23
CONECT   12   13
CONECT   13   14   16   24
CONECT   14   15   25   26
CONECT   15   27
CONECT   16   17   18   28
CONECT   17   29
CONECT   18   19   30
CONECT   19   31
END