COMPND    HMDB0035170
HETATM    1  C1  UNL     1       4.915  -0.051   0.097  1.00  0.00           C  
HETATM    2  N1  UNL     1       3.468  -0.015   0.120  1.00  0.00           N  
HETATM    3  C2  UNL     1       2.839   0.814   0.968  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.439   0.827   0.968  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.723   0.020   0.129  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.719   0.051   0.148  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.408  -1.104  -0.151  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.793  -1.087  -0.137  1.00  0.00           C  
HETATM    9  N2  UNL     1      -3.500   0.029   0.162  1.00  0.00           N1+
HETATM   10  C8  UNL     1      -4.950   0.004   0.166  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.826   1.145   0.452  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.445   1.194   0.454  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.382  -0.817  -0.726  1.00  0.00           C  
HETATM   14  C12 UNL     1       2.776  -0.812  -0.708  1.00  0.00           C  
HETATM   15  O1  UNL     1       3.408  -1.573  -1.486  1.00  0.00           O  
HETATM   16  H1  UNL     1       5.206  -1.116   0.026  1.00  0.00           H  
HETATM   17  H2  UNL     1       5.306   0.515  -0.796  1.00  0.00           H  
HETATM   18  H3  UNL     1       5.381   0.413   0.978  1.00  0.00           H  
HETATM   19  H4  UNL     1       3.430   1.439   1.618  1.00  0.00           H  
HETATM   20  H5  UNL     1       0.992   1.516   1.674  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.900  -2.027  -0.398  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.316  -1.984  -0.369  1.00  0.00           H  
HETATM   23  H8  UNL     1      -5.320  -0.606   1.004  1.00  0.00           H  
HETATM   24  H9  UNL     1      -5.276  -0.482  -0.778  1.00  0.00           H  
HETATM   25  H10 UNL     1      -5.330   1.030   0.180  1.00  0.00           H  
HETATM   26  H11 UNL     1      -3.424   2.033   0.690  1.00  0.00           H  
HETATM   27  H12 UNL     1      -0.939   2.127   0.697  1.00  0.00           H  
HETATM   28  H13 UNL     1       0.883  -1.484  -1.419  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   14
CONECT    3    4    4   19
CONECT    4    5   20
CONECT    5    6   13   13
CONECT    6    7    7   12
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   10   11
CONECT   10   23   24   25
CONECT   11   12   12   26
CONECT   12   27
CONECT   13   14   28
CONECT   14   15   15
END