COMPND    HMDB0246373
HETATM    1  N1  UNL     1      -3.188   3.451   0.277  1.00  0.00           N1-
HETATM    2  N2  UNL     1      -3.399   2.354  -0.248  1.00  0.00           N1+
HETATM    3  N3  UNL     1      -3.706   1.357  -0.911  1.00  0.00           N  
HETATM    4  C1  UNL     1      -3.324   0.071  -0.414  1.00  0.00           C  
HETATM    5  N4  UNL     1      -4.309  -0.791  -0.145  1.00  0.00           N  
HETATM    6  C2  UNL     1      -4.000  -2.010   0.323  1.00  0.00           C  
HETATM    7  N5  UNL     1      -2.718  -2.347   0.513  1.00  0.00           N  
HETATM    8  C3  UNL     1      -1.737  -1.458   0.234  1.00  0.00           C  
HETATM    9  C4  UNL     1      -0.364  -1.522   0.328  1.00  0.00           C  
HETATM   10  C5  UNL     1       0.123  -0.315  -0.094  1.00  0.00           C  
HETATM   11  C6  UNL     1       1.535   0.087  -0.171  1.00  0.00           C  
HETATM   12  C7  UNL     1       2.553  -0.766   0.197  1.00  0.00           C  
HETATM   13  C8  UNL     1       3.890  -0.384   0.124  1.00  0.00           C  
HETATM   14  C9  UNL     1       4.219   0.871  -0.324  1.00  0.00           C  
HETATM   15  C10 UNL     1       3.214   1.747  -0.701  1.00  0.00           C  
HETATM   16  C11 UNL     1       1.881   1.342  -0.619  1.00  0.00           C  
HETATM   17  N6  UNL     1      -0.914   0.450  -0.432  1.00  0.00           N  
HETATM   18  N7  UNL     1      -2.025  -0.239  -0.233  1.00  0.00           N  
HETATM   19  H1  UNL     1      -4.801  -2.706   0.540  1.00  0.00           H  
HETATM   20  H2  UNL     1       0.213  -2.391   0.680  1.00  0.00           H  
HETATM   21  H3  UNL     1       2.294  -1.747   0.548  1.00  0.00           H  
HETATM   22  H4  UNL     1       4.698  -1.048   0.412  1.00  0.00           H  
HETATM   23  H5  UNL     1       5.260   1.211  -0.397  1.00  0.00           H  
HETATM   24  H6  UNL     1       3.497   2.731  -1.051  1.00  0.00           H  
HETATM   25  H7  UNL     1       1.106   2.052  -0.922  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3
CONECT    3    4
CONECT    4    5    5   18
CONECT    5    6
CONECT    6    7    7   19
CONECT    7    8
CONECT    8    9    9   18
CONECT    9   10   20
CONECT   10   11   17   17
CONECT   11   12   12   16
CONECT   12   13   21
CONECT   13   14   14   22
CONECT   14   15   23
CONECT   15   16   16   24
CONECT   16   25
CONECT   17   18
END