COMPND    HMDB0029707
HETATM    1  C1  UNL     1      -1.306  -2.533  -0.407  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.279  -1.493  -0.209  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.055  -1.804  -0.170  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.042  -0.857   0.013  1.00  0.00           C  
HETATM    5  N1  UNL     1       3.340  -1.207   0.046  1.00  0.00           N  
HETATM    6  C5  UNL     1       4.327  -0.286   0.225  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.987   1.026   0.376  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.647   1.395   0.344  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.645   0.454   0.161  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.314   0.817   0.128  1.00  0.00           C  
HETATM   11  N2  UNL     1      -0.327   1.992   0.243  1.00  0.00           N  
HETATM   12  C10 UNL     1      -1.653   1.805   0.138  1.00  0.00           C  
HETATM   13  N3  UNL     1      -2.678   2.812   0.208  1.00  0.00           N  
HETATM   14  N4  UNL     1      -1.834   0.487  -0.044  1.00  0.00           N  
HETATM   15  C11 UNL     1      -3.143  -0.137  -0.205  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.656  -0.180  -0.060  1.00  0.00           C  
HETATM   17  H1  UNL     1      -0.833  -3.498  -0.769  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.767  -2.851   0.575  1.00  0.00           H  
HETATM   19  H3  UNL     1      -2.051  -2.298  -1.176  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.398  -2.831  -0.283  1.00  0.00           H  
HETATM   21  H5  UNL     1       5.344  -0.636   0.240  1.00  0.00           H  
HETATM   22  H6  UNL     1       4.777   1.750   0.518  1.00  0.00           H  
HETATM   23  H7  UNL     1       2.361   2.411   0.459  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.920   3.371  -0.656  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.199   3.024   1.065  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.291  -1.016   0.420  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.377  -0.310  -1.296  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.923   0.594   0.117  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3   16
CONECT    3    4   20
CONECT    4    5    5    9
CONECT    5    6
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10
CONECT   10   11   16   16
CONECT   11   12   12
CONECT   12   13   14
CONECT   13   24   25
CONECT   14   15   16
CONECT   15   26   27   28
END