@MOLECULE 2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylate 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3564 -0.5456 1.1485 O.2 1 UNL1111111111 -0.4908 2 C -2.7731 0.0861 0.3063 C.2 1 UNL1111111111 0.6828 3 C -1.3663 0.1337 -0.0387 C.2 1 UNL1111111111 -0.4168 4 C -0.8908 1.0070 -0.9666 C.2 1 UNL1111111111 0.1907 5 N 0.3969 1.0317 -1.4496 N.pl3 1 UNL1111111111 -0.4898 6 S -0.3328 -0.9799 0.8353 S.3 1 UNL1111111111 0.0860 7 C 1.0633 -1.1371 -0.3764 C.3 1 UNL1111111111 0.0441 8 C 0.6360 -1.9314 -1.6069 C.3 1 UNL1111111111 -0.4608 9 C 2.1989 -1.8586 0.3353 C.3 1 UNL1111111111 -0.4613 10 CA 1.4882 0.2922 -0.8086 C.3 1 UNL1111111111 -0.0303 11 C 2.0233 1.1370 0.3470 C.2 1 UNL1111111111 0.5945 12 O 1.5586 2.1503 0.7893 O.2 1 UNL1111111111 -0.4706 13 OXT 3.2153 0.6568 0.7762 O.3 1 UNL1111111111 -0.5572 14 O -3.4953 0.9286 -0.5064 O.3 1 UNL1111111111 -0.6000 15 H -4.4572 0.9367 -0.2906 H 1 UNL1111111111 0.3585 16 H 0.6920 1.8569 -1.9608 H 1 UNL1111111111 0.3132 17 H -1.5714 1.7281 -1.4645 H 1 UNL1111111111 0.1896 18 HA 2.3198 0.1877 -1.5686 H 1 UNL1111111111 0.1815 19 H -0.1623 -1.4361 -2.1775 H 1 UNL1111111111 0.1655 20 H 1.4742 -2.0869 -2.2973 H 1 UNL1111111111 0.1483 21 H 0.2579 -2.9284 -1.3381 H 1 UNL1111111111 0.1668 22 H 1.9665 -2.9202 0.5029 H 1 UNL1111111111 0.1641 23 H 3.1274 -1.8247 -0.2511 H 1 UNL1111111111 0.1577 24 H 2.4440 -1.4306 1.3194 H 1 UNL1111111111 0.1739 25 HXT 3.6038 1.1770 1.5256 H 1 UNL1111111111 0.3603 @BOND 1 1 2 2 2 2 3 1 3 2 14 1 4 3 4 2 5 3 6 1 6 4 5 1 7 4 17 1 8 5 10 1 9 5 16 1 10 6 7 1 11 7 8 1 12 7 9 1 13 7 10 1 14 8 19 1 15 8 20 1 16 8 21 1 17 9 22 1 18 9 23 1 19 9 24 1 20 10 11 1 21 10 18 1 22 11 12 2 23 11 13 1 24 13 25 1 25 14 15 1