COMPND    HMDB0012245
HETATM    1  C1  UNL     1       3.454   0.994   0.257  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.440   0.077   1.290  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.646  -0.922   0.984  1.00  0.00           O  
HETATM    4  C3  UNL     1       2.133  -0.697  -0.222  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.183  -1.639  -0.884  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.128  -1.387  -0.328  1.00  0.00           N  
HETATM    7  C5  UNL     1      -0.793  -0.155  -0.412  1.00  0.00           C  
HETATM    8  N2  UNL     1      -0.313   0.940  -1.012  1.00  0.00           N  
HETATM    9  C6  UNL     1      -1.006   2.093  -1.057  1.00  0.00           C  
HETATM   10  N3  UNL     1      -2.234   2.224  -0.500  1.00  0.00           N  
HETATM   11  C7  UNL     1      -2.766   1.154   0.116  1.00  0.00           C  
HETATM   12  N4  UNL     1      -3.927   0.979   0.742  1.00  0.00           N  
HETATM   13  C8  UNL     1      -3.978  -0.298   1.193  1.00  0.00           C  
HETATM   14  N5  UNL     1      -2.826  -0.885   0.825  1.00  0.00           N  
HETATM   15  C9  UNL     1      -2.054  -0.021   0.160  1.00  0.00           C  
HETATM   16  C10 UNL     1       2.612   0.490  -0.711  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.010   1.915   0.217  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.991   0.136   2.237  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.205  -1.512  -1.984  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.526  -2.663  -0.633  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.580  -2.191   0.159  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.604   2.983  -1.550  1.00  0.00           H  
HETATM   23  H7  UNL     1      -4.820  -0.700   1.738  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.569  -1.877   1.030  1.00  0.00           H  
HETATM   25  H9  UNL     1       2.398   0.963  -1.657  1.00  0.00           H  
CONECT    1    2    2   16   17
CONECT    2    3   18
CONECT    3    4
CONECT    4    5   16   16
CONECT    5    6   19   20
CONECT    6    7   21
CONECT    7    8    8   15
CONECT    8    9
CONECT    9   10   10   22
CONECT   10   11
CONECT   11   12   15   15
CONECT   12   13   13
CONECT   13   14   23
CONECT   14   15   24
CONECT   16   25
END