@MOLECULE 3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.1709 1.4917 2.6572 Cl 1 UNL1111111 -0.0170 2 CL 0.1777 1.5100 -2.6495 Cl 1 UNL1111111 -0.0166 3 O -0.9061 2.0773 0.0020 O.3 1 UNL1111111 -0.2672 4 O -5.0250 -1.5362 -0.0070 O.3 1 UNL1111111 -0.4735 5 O 5.6646 -1.9236 -0.0399 O.3 1 UNL1111111 -0.5739 6 O 3.4653 -2.2564 0.0309 O.2 1 UNL1111111 -0.4783 7 C -2.4473 -2.6209 -0.0083 C.3 1 UNL1111111 -0.0622 8 C -2.7177 -1.1422 -0.0041 C.ar 1 UNL1111111 -0.0171 9 C -1.6636 -3.0071 1.2548 C.3 1 UNL1111111 -0.4446 10 C -1.6554 -3.0001 -1.2678 C.3 1 UNL1111111 -0.4446 11 C -1.6567 -0.2424 -0.0019 C.ar 1 UNL1111111 -0.2339 12 C -4.0197 -0.6146 -0.0061 C.ar 1 UNL1111111 0.2046 13 C -1.9142 1.1254 0.0002 C.ar 1 UNL1111111 0.1688 14 C -4.2759 0.7582 -0.0029 C.ar 1 UNL1111111 -0.2378 15 C -3.2060 1.6499 -0.0003 C.ar 1 UNL1111111 -0.1682 16 C 0.3594 1.5381 0.0039 C.ar 1 UNL1111111 0.1315 17 C 2.9772 0.5624 0.0056 C.ar 1 UNL1111111 0.0378 18 C 1.0168 1.2757 1.2045 C.ar 1 UNL1111111 -0.0252 19 C 1.0213 1.2838 -1.1975 C.ar 1 UNL1111111 -0.0250 20 C 2.3215 0.7991 1.2180 C.ar 1 UNL1111111 -0.1667 21 C 2.3262 0.8074 -1.2075 C.ar 1 UNL1111111 -0.1680 22 C 4.3736 0.0225 0.0083 C.3 1 UNL1111111 -0.3574 23 C 4.3781 -1.4784 0.0025 C.2 1 UNL1111111 0.6475 24 H -3.4169 -3.1839 -0.0129 H 1 UNL1111111 0.1574 25 H -0.6747 -2.5352 1.2808 H 1 UNL1111111 0.1484 26 H -1.5091 -4.0881 1.3053 H 1 UNL1111111 0.1450 27 H -2.2005 -2.6980 2.1604 H 1 UNL1111111 0.1479 28 H -2.1747 -2.6751 -2.1747 H 1 UNL1111111 0.1476 29 H -1.5121 -4.0846 -1.3285 H 1 UNL1111111 0.1452 30 H -0.6592 -2.5384 -1.2755 H 1 UNL1111111 0.1484 31 H -0.6374 -0.6293 -0.0004 H 1 UNL1111111 0.1772 32 H -5.2967 1.1305 -0.0027 H 1 UNL1111111 0.1603 33 H -3.3648 2.7248 0.0008 H 1 UNL1111111 0.1743 34 H 2.8224 0.5900 2.1650 H 1 UNL1111111 0.1803 35 H 2.8322 0.6055 -2.1553 H 1 UNL1111111 0.1804 36 H 4.9561 0.3881 0.8882 H 1 UNL1111111 0.1956 37 H 4.9604 0.4000 -0.8653 H 1 UNL1111111 0.1962 38 H -5.9135 -1.1104 -0.0058 H 1 UNL1111111 0.3230 39 H 5.7390 -2.9107 -0.0466 H 1 UNL1111111 0.3598 @BOND 1 2 19 1 2 28 10 1 3 35 21 1 4 29 10 1 5 30 10 1 6 10 7 1 7 21 19 ar 8 21 17 ar 9 19 16 ar 10 37 22 1 11 39 5 1 12 5 23 1 13 24 7 1 14 7 8 1 15 7 9 1 16 12 4 1 17 12 8 ar 18 12 14 ar 19 4 38 1 20 8 11 ar 21 32 14 1 22 14 15 ar 23 11 31 1 24 11 13 ar 25 15 13 ar 26 15 33 1 27 13 3 1 28 3 16 1 29 23 22 1 30 23 6 2 31 16 18 ar 32 17 22 1 33 17 20 ar 34 22 36 1 35 18 20 ar 36 18 1 1 37 20 34 1 38 9 25 1 39 9 26 1 40 9 27 1