@MOLECULE 1,3-thiazinane-2-carboxylic acid 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4056 -1.3235 0.2875 S.3 1 UNL1111111111 0.0297 2 O 2.5065 -0.8387 -0.5291 O.3 1 UNL1111111111 -0.5474 3 O 2.3964 1.0578 0.6371 O.2 1 UNL1111111111 -0.4708 4 N -0.2980 1.3607 0.0730 N.3 1 UNL1111111111 -0.5456 5 C -2.5623 0.4360 0.2684 C.3 1 UNL1111111111 -0.2748 6 C -1.6781 1.4891 -0.4309 C.3 1 UNL1111111111 -0.0958 7 C 0.3902 0.1856 -0.4584 C.3 1 UNL1111111111 -0.0860 8 C -2.1624 -0.9812 -0.1179 C.3 1 UNL1111111111 -0.3188 9 C 1.8323 0.2203 -0.0123 C.2 1 UNL1111111111 0.6168 10 H -2.4879 0.5764 1.3695 H 1 UNL1111111111 0.1704 11 H -3.6244 0.6160 0.0135 H 1 UNL1111111111 0.1391 12 H -1.7550 1.3909 -1.5349 H 1 UNL1111111111 0.1166 13 H -2.0441 2.5083 -0.1704 H 1 UNL1111111111 0.1435 14 H 0.3432 0.0871 -1.5751 H 1 UNL1111111111 0.1630 15 H -2.7648 -1.7274 0.4351 H 1 UNL1111111111 0.1632 16 H -2.3385 -1.1674 -1.1923 H 1 UNL1111111111 0.1530 17 H 0.2461 2.2171 -0.0236 H 1 UNL1111111111 0.2852 18 H 3.4560 -0.8745 -0.2478 H 1 UNL1111111111 0.3585 @BOND 1 1 7 1 2 1 8 1 3 2 9 1 4 2 18 1 5 3 9 2 6 4 6 1 7 4 7 1 8 4 17 1 9 5 6 1 10 5 8 1 11 5 10 1 12 5 11 1 13 6 12 1 14 6 13 1 15 7 9 1 16 7 14 1 17 8 15 1 18 8 16 1