@MOLECULE 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1822 -3.0440 -0.5402 O.2 1 UNL1111111111 -0.5115 2 C 3.2005 -2.6350 -0.0359 C.2 1 UNL1111111111 0.6728 3 O 4.0174 -3.4995 0.6268 O.3 1 UNL1111111111 -0.5485 4 C 3.7198 -1.2813 -0.0250 C.ar 1 UNL1111111111 -0.3318 5 S 5.2926 -0.8810 0.6568 S.2 1 UNL1111111111 0.2797 6 C 5.0874 0.8132 0.2685 C.ar 1 UNL1111111111 -0.0994 7 C 5.9726 1.8627 0.5126 C.ar 1 UNL1111111111 -0.1584 8 C 5.5997 3.1425 0.1295 C.ar 1 UNL1111111111 -0.1112 9 C 4.3591 3.3788 -0.4883 C.ar 1 UNL1111111111 -0.1725 10 C 3.4807 2.3365 -0.7332 C.ar 1 UNL1111111111 -0.0997 11 C 3.8434 1.0362 -0.3570 C.ar 1 UNL1111111111 -0.0964 12 C 3.0749 -0.1825 -0.5217 C.ar 1 UNL1111111111 0.1076 13 C 1.7284 -0.1841 -1.1475 C.3 1 UNL1111111111 -0.2961 14 C 0.6685 0.0835 -0.0706 C.3 1 UNL1111111111 -0.2746 15 C -0.7280 -0.0181 -0.6866 C.3 1 UNL1111111111 -0.0357 16 O -1.5868 0.2749 0.4216 O.3 1 UNL1111111111 -0.3324 17 C -2.9223 0.2017 0.2120 C.ar 1 UNL1111111111 0.2888 18 C -3.5343 -0.0380 -1.0182 C.ar 1 UNL1111111111 -0.3542 19 C -4.9304 -0.0670 -1.0843 C.ar 1 UNL1111111111 0.1207 20 C -5.6089 -0.3125 -2.3864 C.3 1 UNL1111111111 -0.4546 21 C -5.6585 0.1398 0.0841 C.ar 1 UNL1111111111 -0.1393 22 CL -7.3683 0.1069 0.0036 Cl 1 UNL1111111111 -0.0935 23 C -5.0531 0.3746 1.3229 C.ar 1 UNL1111111111 0.1147 24 C -5.8664 0.5836 2.5513 C.3 1 UNL1111111111 -0.4525 25 C -3.6651 0.4085 1.3860 C.ar 1 UNL1111111111 -0.3039 26 H 3.6732 -4.4280 0.6310 H 1 UNL1111111111 0.3569 27 H 6.9340 1.6881 0.9929 H 1 UNL1111111111 0.1636 28 H 6.2723 3.9814 0.3083 H 1 UNL1111111111 0.1538 29 H 4.0931 4.3956 -0.7736 H 1 UNL1111111111 0.1573 30 H 2.5178 2.5194 -1.2080 H 1 UNL1111111111 0.1590 31 H 1.6630 0.5712 -1.9574 H 1 UNL1111111111 0.1558 32 H 1.5241 -1.1642 -1.6432 H 1 UNL1111111111 0.1893 33 H 0.7647 -0.6485 0.7588 H 1 UNL1111111111 0.1673 34 H 0.8150 1.0784 0.3928 H 1 UNL1111111111 0.1562 35 H -0.8942 0.7279 -1.4814 H 1 UNL1111111111 0.1266 36 H -0.9432 -1.0357 -1.0591 H 1 UNL1111111111 0.1384 37 H -2.9518 -0.1994 -1.9175 H 1 UNL1111111111 0.1708 38 H -6.2542 -1.2052 -2.3432 H 1 UNL1111111111 0.1726 39 H -6.2558 0.5344 -2.6682 H 1 UNL1111111111 0.1712 40 H -4.9032 -0.4670 -3.2133 H 1 UNL1111111111 0.1572 41 H -6.5262 -0.2769 2.7498 H 1 UNL1111111111 0.1723 42 H -5.2499 0.7282 3.4491 H 1 UNL1111111111 0.1602 43 H -6.5148 1.4700 2.4583 H 1 UNL1111111111 0.1714 44 H -3.1440 0.5891 2.3225 H 1 UNL1111111111 0.1818 @BOND 1 1 2 2 2 2 4 1 3 3 2 1 4 3 26 1 5 4 5 ar 6 4 12 ar 7 5 6 ar 8 6 11 ar 9 6 7 ar 10 7 8 ar 11 7 27 1 12 8 9 ar 13 8 28 1 14 9 29 1 15 10 9 ar 16 10 30 1 17 11 10 ar 18 12 11 ar 19 13 14 1 20 13 12 1 21 13 31 1 22 13 32 1 23 14 15 1 24 14 33 1 25 14 34 1 26 15 16 1 27 15 35 1 28 15 36 1 29 16 17 1 30 17 25 ar 31 17 18 ar 32 18 19 ar 33 18 37 1 34 19 21 ar 35 19 20 1 36 20 38 1 37 20 39 1 38 20 40 1 39 21 22 1 40 23 24 1 41 23 21 ar 42 24 41 1 43 24 42 1 44 24 43 1 45 25 23 ar 46 25 44 1