@MOLECULE 3-n-ethoxycarbonylmethyl-4-chloro-benzothiazol-2-one 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.6543 -1.2533 1.4329 Cl 1 UNL111 -0.0497 2 S -2.8580 0.8766 -0.4572 S.2 1 UNL111 0.1238 3 O 1.4355 0.6299 -0.9936 O.3 1 UNL111 -0.4243 4 O -1.4295 3.0749 0.2638 O.2 1 UNL111 -0.4219 5 O 3.0746 1.5744 0.2337 O.2 1 UNL111 -0.4854 6 N -0.4886 1.0210 0.6950 N.ar 1 UNL111 -0.4351 7 C -0.7054 -0.3446 0.4438 C.ar 1 UNL111 0.1882 8 C 0.8015 1.5914 1.0628 C.3 1 UNL111 -0.1473 9 C -1.9632 -0.6060 -0.1575 C.ar 1 UNL111 -0.1997 10 C -1.4913 1.8813 0.1983 C.ar 1 UNL111 0.4971 11 C 0.1145 -1.4372 0.7316 C.ar 1 UNL111 -0.0635 12 C -2.3771 -1.8926 -0.4557 C.ar 1 UNL111 -0.0858 13 C 1.9185 1.2809 0.0817 C.2 1 UNL111 0.5755 14 C -0.2944 -2.7344 0.4417 C.ar 1 UNL111 -0.1169 15 C -1.5354 -2.9626 -0.1498 C.ar 1 UNL111 -0.1753 16 C 2.3858 0.1700 -1.9696 C.3 1 UNL111 0.0101 17 C 1.7303 -1.0632 -2.5683 C.3 1 UNL111 -0.4689 18 H 0.7035 2.7124 1.1416 H 1 UNL111 0.2118 19 H 1.0967 1.2517 2.0889 H 1 UNL111 0.1965 20 H -3.3449 -2.0804 -0.9245 H 1 UNL111 0.1688 21 H 0.3568 -3.5809 0.6759 H 1 UNL111 0.1756 22 H -1.8487 -3.9812 -0.3748 H 1 UNL111 0.1652 23 H 2.5048 0.9947 -2.6940 H 1 UNL111 0.1354 24 H 3.3565 -0.0506 -1.4893 H 1 UNL111 0.1477 25 H 2.3095 -1.4497 -3.4145 H 1 UNL111 0.1582 26 H 1.6343 -1.8665 -1.8262 H 1 UNL111 0.1582 27 H 0.7164 -0.8402 -2.9276 H 1 UNL111 0.1617 @BOND 1 1 11 1 2 2 9 ar 3 2 10 ar 4 3 13 1 5 3 16 1 6 4 10 2 7 5 13 2 8 6 7 ar 9 6 8 1 10 6 10 ar 11 7 9 ar 12 7 11 ar 13 8 13 1 14 8 18 1 15 8 19 1 16 9 12 ar 17 11 14 ar 18 12 15 ar 19 12 20 1 20 14 15 ar 21 14 21 1 22 15 22 1 23 16 17 1 24 16 23 1 25 16 24 1 26 17 25 1 27 17 26 1 28 17 27 1