@MOLECULE 4-bromo-2-octenoic acid 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 BR -0.4825 1.7464 0.0306 Br 1 UNL1111111111 -0.1138 2 O 4.4737 -1.0330 -0.9359 O.3 1 UNL1111111111 -0.5518 3 O 3.8299 -1.0130 1.1984 O.2 1 UNL1111111111 -0.5019 4 C -2.6412 -0.8919 -0.3004 C.3 1 UNL1111111111 -0.2723 5 C -1.2848 -1.0111 0.4037 C.3 1 UNL1111111111 -0.2914 6 C -3.6753 -1.8083 0.3669 C.3 1 UNL1111111111 -0.2499 7 C -0.2077 -0.1887 -0.2923 C.3 1 UNL1111111111 -0.0918 8 C -5.0382 -1.6691 -0.3107 C.3 1 UNL1111111111 -0.4394 9 C 1.1484 -0.4815 0.2414 C.2 1 UNL1111111111 -0.0618 10 C 2.2177 -0.6212 -0.5516 C.2 1 UNL1111111111 -0.2747 11 C 3.5325 -0.8990 0.0362 C.2 1 UNL1111111111 0.6421 12 H -2.5445 -1.1519 -1.3714 H 1 UNL1111111111 0.1392 13 H -3.0037 0.1538 -0.2767 H 1 UNL1111111111 0.1506 14 H -1.3842 -0.7280 1.4711 H 1 UNL1111111111 0.1608 15 H -0.9707 -2.0783 0.4156 H 1 UNL1111111111 0.1575 16 H -3.3380 -2.8613 0.3220 H 1 UNL1111111111 0.1347 17 H -3.7628 -1.5627 1.4426 H 1 UNL1111111111 0.1374 18 H -0.2745 -0.2992 -1.3978 H 1 UNL1111111111 0.1683 19 H -5.4165 -0.6424 -0.2456 H 1 UNL1111111111 0.1456 20 H -4.9883 -1.9354 -1.3725 H 1 UNL1111111111 0.1433 21 H -5.7830 -2.3229 0.1570 H 1 UNL1111111111 0.1430 22 H 1.2288 -0.5725 1.3331 H 1 UNL1111111111 0.1810 23 H 2.1888 -0.5352 -1.6389 H 1 UNL1111111111 0.1897 24 H 5.3795 -1.2144 -0.5819 H 1 UNL1111111111 0.3554 @BOND 1 1 7 1 2 2 11 1 3 2 24 1 4 3 11 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 13 1 9 5 7 1 10 5 14 1 11 5 15 1 12 6 8 1 13 6 16 1 14 6 17 1 15 7 9 1 16 7 18 1 17 8 19 1 18 8 20 1 19 8 21 1 20 9 10 2 21 9 22 1 22 10 11 1 23 10 23 1