@MOLECULE 2-[(r)-methylsulfinyl]-1-(2-pyridinyl)ethanone 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5075 0.1094 0.3112 S.O 1 UNL1111111111 1.2061 2 O -0.1549 -2.1543 0.5966 O.2 1 UNL1111111111 -0.4230 3 O -3.7456 0.0302 -0.4954 O.2 1 UNL1111111111 -0.8051 4 N 1.2025 0.9522 0.0333 N.ar 1 UNL1111111111 -0.3730 5 C -1.1889 -0.5631 -0.8258 C.3 1 UNL1111111111 -0.6293 6 C -0.0745 -1.1246 -0.0268 C.2 1 UNL1111111111 0.4864 7 C 1.2435 -0.3922 -0.0374 C.ar 1 UNL1111111111 0.0434 8 C 2.4388 -1.1156 -0.1035 C.ar 1 UNL1111111111 -0.1883 9 C -2.0138 1.8546 0.3000 C.3 1 UNL1111111111 -0.6943 10 C 3.6398 -0.4063 -0.1102 C.ar 1 UNL1111111111 -0.0897 11 C 3.6095 0.9842 -0.0414 C.ar 1 UNL1111111111 -0.2186 12 C 2.3649 1.6270 0.0348 C.ar 1 UNL1111111111 0.0471 13 H -1.6766 -1.3567 -1.4325 H 1 UNL1111111111 0.2095 14 H -0.8597 0.2025 -1.5476 H 1 UNL1111111111 0.1888 15 H 2.4230 -2.2048 -0.1376 H 1 UNL1111111111 0.1821 16 H -0.9413 1.9706 0.5071 H 1 UNL1111111111 0.1969 17 H -2.5658 2.4034 1.0684 H 1 UNL1111111111 0.1738 18 H -2.2183 2.3490 -0.6548 H 1 UNL1111111111 0.1786 19 H 4.5913 -0.9366 -0.1655 H 1 UNL1111111111 0.1651 20 H 4.5285 1.5651 -0.0450 H 1 UNL1111111111 0.1704 21 H 2.2829 2.7184 0.0972 H 1 UNL1111111111 0.1731 @BOND 1 1 3 2 2 1 5 1 3 1 9 1 4 2 6 2 5 4 7 ar 6 4 12 ar 7 5 6 1 8 5 13 1 9 5 14 1 10 6 7 1 11 7 8 ar 12 8 10 ar 13 8 15 1 14 9 16 1 15 9 17 1 16 9 18 1 17 10 11 ar 18 10 19 1 19 11 12 ar 20 11 20 1 21 12 21 1