COMPND    HMDB0040551
HETATM    1  N1  UNL     1       3.710   0.158  -1.270  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.288   0.146  -0.977  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.978  -1.069  -0.163  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.526  -1.215   0.219  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.317  -1.294  -1.026  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.799  -1.446  -0.682  1.00  0.00           C  
HETATM    7  N2  UNL     1      -2.186  -0.270   0.104  1.00  0.00           N  
HETATM    8  C6  UNL     1      -2.658   0.872  -0.446  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.934   1.793   0.530  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.615   1.179   1.719  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.159  -0.087   1.414  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.926   1.424  -0.367  1.00  0.00           C  
HETATM   13  O1  UNL     1       2.825   2.281  -0.166  1.00  0.00           O  
HETATM   14  O2  UNL     1       0.627   1.752   0.009  1.00  0.00           O  
HETATM   15  H1  UNL     1       3.968   1.128  -1.608  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.245  -0.110  -0.422  1.00  0.00           H  
HETATM   17  H3  UNL     1       1.767   0.080  -1.956  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.207  -1.954  -0.826  1.00  0.00           H  
HETATM   19  H5  UNL     1       2.643  -1.194   0.712  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.226  -0.375   0.847  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.482  -2.187   0.799  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.016  -2.108  -1.699  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.186  -0.343  -1.579  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.395  -1.454  -1.602  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.992  -2.352  -0.104  1.00  0.00           H  
HETATM   26  H12 UNL     1      -2.798   1.033  -1.524  1.00  0.00           H  
HETATM   27  H13 UNL     1      -3.321   2.787   0.392  1.00  0.00           H  
HETATM   28  H14 UNL     1      -2.713   1.632   2.719  1.00  0.00           H  
HETATM   29  H15 UNL     1      -1.825  -0.828   2.137  1.00  0.00           H  
HETATM   30  H16 UNL     1       0.464   2.020   0.973  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   12   17
CONECT    3    4   18   19
CONECT    4    5   20   21
CONECT    5    6   22   23
CONECT    6    7   24   25
CONECT    7    8   11
CONECT    8    9    9   26
CONECT    9   10   27
CONECT   10   11   11   28
CONECT   11   29
CONECT   12   13   13   14
CONECT   14   30
END