@MOLECULE 4-bromo-3-(carboxymethoxy)-5-phenyl-2-thiophenecarboxylic acid 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.4465 -0.3807 -0.2785 C.ar 1 UNL1111111111 -0.1315 2 C -4.9688 0.3052 0.8372 C.ar 1 UNL1111111111 -0.1502 3 C -3.6212 0.6462 0.9260 C.ar 1 UNL1111111111 -0.1284 4 C -2.7491 0.3007 -0.1102 C.ar 1 UNL1111111111 -0.0286 5 C -3.2291 -0.3838 -1.2316 C.ar 1 UNL1111111111 -0.1247 6 C -4.5764 -0.7237 -1.3124 C.ar 1 UNL1111111111 -0.1499 7 C -1.3407 0.6351 -0.0308 C.ar 1 UNL1111111111 -0.1041 8 C -0.2765 -0.2128 0.1124 C.ar 1 UNL1111111111 -0.1615 9 C 0.9936 0.4591 0.1262 C.ar 1 UNL1111111111 0.2853 10 C 0.8808 1.8263 -0.0106 C.ar 1 UNL1111111111 -0.4336 11 S -0.7995 2.2810 -0.1515 S.2 1 UNL1111111111 0.3963 12 C 1.9237 2.8239 -0.0020 C.2 1 UNL1111111111 0.6947 13 O 3.0878 2.7185 -0.3061 O.2 1 UNL1111111111 -0.5264 14 O 1.4468 4.0346 0.4032 O.3 1 UNL1111111111 -0.5503 15 O 2.0643 -0.3060 0.4140 O.3 1 UNL1111111111 -0.2694 16 C 3.1707 -0.1978 -0.4913 C.3 1 UNL1111111111 -0.1332 17 C 4.0534 -1.3553 -0.0949 C.2 1 UNL1111111111 0.6221 18 O 4.1978 -1.8834 0.9697 O.2 1 UNL1111111111 -0.4479 19 O 4.7686 -1.7469 -1.1854 O.3 1 UNL1111111111 -0.5674 20 BR -0.4019 -2.0661 0.2812 Br 1 UNL1111111111 0.0302 21 H -6.4993 -0.6505 -0.3420 H 1 UNL1111111111 0.1518 22 H -5.6493 0.5714 1.6444 H 1 UNL1111111111 0.1539 23 H -3.2492 1.1689 1.8072 H 1 UNL1111111111 0.1620 24 H -2.5489 -0.6508 -2.0394 H 1 UNL1111111111 0.1605 25 H -4.9493 -1.2608 -2.1827 H 1 UNL1111111111 0.1542 26 H 2.1460 4.7369 0.4242 H 1 UNL1111111111 0.3592 27 H 3.7086 0.7649 -0.3378 H 1 UNL1111111111 0.2062 28 H 2.8256 -0.2658 -1.5402 H 1 UNL1111111111 0.1722 29 H 5.3986 -2.4861 -0.9994 H 1 UNL1111111111 0.3585 @BOND 1 1 2 ar 2 1 6 ar 3 1 21 1 4 2 3 ar 5 2 22 1 6 3 4 ar 7 3 23 1 8 4 5 ar 9 4 7 1 10 5 6 ar 11 5 24 1 12 6 25 1 13 7 8 ar 14 7 11 ar 15 8 9 ar 16 8 20 1 17 9 10 ar 18 9 15 1 19 10 11 ar 20 10 12 1 21 12 13 2 22 12 14 1 23 14 26 1 24 15 16 1 25 16 17 1 26 16 27 1 27 16 28 1 28 17 18 2 29 17 19 1 30 19 29 1