@MOLECULE 6-amino-5-methyl-2-sulfanylpyrimidine-4-carboxylic acid 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.9719 1.2839 0.0026 S.2 1 UNL1 -0.3770 2 O 1.8014 2.3944 -0.0260 O.3 1 UNL1 -0.5582 3 OXT 3.2221 0.6845 0.0402 O.2 1 UNL1 -0.4457 4 N -0.3559 0.9826 -0.0038 N.ar 1 UNL1 -0.4449 5 N -1.6325 -1.0229 0.0071 N.ar 1 UNL1 -0.5419 6 N -0.6479 -3.0899 0.0055 N.pl3 1 UNL1 -0.5618 7 C 0.8232 -1.1063 -0.0098 C.ar 1 UNL1 -0.1561 8 CA 0.8239 0.2665 -0.0051 C.ar 1 UNL1 0.1115 9 C -0.4952 -1.7355 0.0009 C.ar 1 UNL1 0.4407 10 C 2.0269 -1.9659 -0.0240 C.3 1 UNL1 -0.4424 11 C -1.6175 0.3358 0.0028 C.ar 1 UNL1 0.4489 12 C 2.0860 1.0684 0.0055 C.2 1 UNL1 0.6208 13 H 2.9786 -1.4058 -0.0540 H 1 UNL1 0.1969 14 H 2.0506 -2.6230 -0.9083 H 1 UNL1 0.1633 15 H 2.0907 -2.5961 0.8779 H 1 UNL1 0.1645 16 H -0.3235 2.0114 -0.0029 H 1 UNL1 0.3605 17 H 0.1310 -3.7095 0.0026 H 1 UNL1 0.3130 18 H -1.5740 -3.4845 0.0150 H 1 UNL1 0.3309 19 H 2.6071 2.9765 -0.0054 H 1 UNL1 0.3771 @BOND 1 14 10 1 2 13 10 1 3 2 19 1 4 2 12 1 5 10 7 1 6 10 15 1 7 7 8 ar 8 7 9 ar 9 8 4 ar 10 8 12 1 11 4 16 1 12 4 11 ar 13 9 6 1 14 9 5 ar 15 1 11 2 16 17 6 1 17 11 5 ar 18 6 18 1 19 12 3 2