COMPND    HMDB0012488
HETATM    1  C1  UNL     1       3.674   0.194  -0.097  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.096   1.374  -0.511  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.723   1.489  -0.545  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.886   0.447  -0.173  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.476   0.266  -0.102  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.733  -1.008   0.349  1.00  0.00           C  
HETATM    7  N1  UNL     1       0.457  -1.603   0.553  1.00  0.00           N  
HETATM    8  C7  UNL     1       1.471  -0.753   0.248  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.845  -0.846   0.274  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.113  -1.528   0.539  1.00  0.00           C  
HETATM   11  N2  UNL     1      -3.079  -0.707  -0.168  1.00  0.00           N  
HETATM   12  C10 UNL     1      -2.847   0.665   0.200  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.593   1.182  -0.420  1.00  0.00           C  
HETATM   14  H1  UNL     1       4.756   0.101  -0.070  1.00  0.00           H  
HETATM   15  H2  UNL     1       3.739   2.192  -0.802  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.288   2.423  -0.872  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.605  -2.577   0.896  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.310  -1.772   0.599  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.125  -2.558   0.126  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.350  -1.611   1.621  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.898  -0.846  -1.196  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.835   0.749   1.306  1.00  0.00           H  
HETATM   23  H10 UNL     1      -3.701   1.270  -0.218  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.339   2.184  -0.015  1.00  0.00           H  
HETATM   25  H12 UNL     1      -1.762   1.273  -1.521  1.00  0.00           H  
CONECT    1    2    2    9   14
CONECT    2    3   15
CONECT    3    4    4   16
CONECT    4    5    8
CONECT    5    6    6   13
CONECT    6    7   10
CONECT    7    8   17
CONECT    8    9    9
CONECT    9   18
CONECT   10   11   19   20
CONECT   11   12   21
CONECT   12   13   22   23
CONECT   13   24   25
END