@MOLECULE purine 13 14 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.1101 -0.6797 0.0002 N.ar 1 UNL111111111 -0.4400 2 C -2.0417 0.6868 -0.0001 C.ar 1 UNL111111111 0.2329 3 N -0.9155 1.4229 -0.0001 N.ar 1 UNL111111111 -0.4299 4 C 0.2226 0.6920 0.0001 C.ar 1 UNL111111111 0.2295 5 C -0.9886 -1.4080 -0.0001 C.ar 1 UNL111111111 0.1471 6 C 0.2552 -0.7536 0.0000 C.ar 1 UNL111111111 -0.0949 7 N 1.5468 1.1083 0.0000 N.ar 1 UNL111111111 -0.4059 8 N 1.5837 -1.1731 -0.0000 N.ar 1 UNL111111111 -0.3345 9 C 2.3307 -0.0709 -0.0000 C.ar 1 UNL111111111 0.1504 10 H -3.0031 1.2285 -0.0001 H 1 UNL111111111 0.2068 11 H -1.0833 -2.5016 -0.0003 H 1 UNL111111111 0.1979 12 H 3.4119 -0.0381 -0.0000 H 1 UNL111111111 0.2019 13 H 1.8585 2.0566 0.0001 H 1 UNL111111111 0.3387 @BOND 1 1 2 ar 2 2 3 ar 3 3 4 ar 4 1 5 ar 5 5 6 ar 6 6 4 ar 7 4 7 ar 8 6 8 ar 9 8 9 ar 10 9 7 ar 11 2 10 1 12 5 11 1 13 9 12 1 14 7 13 1