@MOLECULE (2s)-2-[(2r)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxysuccinic acid 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.6682 0.2869 1.4227 Cl 1 UNL1111111111 -0.0424 2 CL 4.9524 -2.2457 -0.4102 Cl 1 UNL1111111111 -0.0632 3 O -4.3804 1.1696 -0.5939 O.3 1 UNL1111111111 -0.5852 4 O -1.9570 -1.2568 1.3490 O.3 1 UNL1111111111 -0.5227 5 O -4.3568 -2.3127 -1.0702 O.3 1 UNL1111111111 -0.5559 6 O -4.5557 -2.1252 1.1487 O.2 1 UNL1111111111 -0.4842 7 O 0.2744 -1.3276 -1.3945 O.3 1 UNL1111111111 -0.5625 8 O 0.6070 -2.8322 0.2211 O.2 1 UNL1111111111 -0.5101 9 C -3.2096 0.9607 0.1875 C.3 1 UNL1111111111 0.1692 10 C -2.4443 2.2754 0.3804 C.3 1 UNL1111111111 -0.3345 11 C -2.4208 -0.0876 -0.6113 C.3 1 UNL1111111111 -0.3284 12 C -2.0875 2.9308 -0.9565 C.3 1 UNL1111111111 -0.2567 13 C -2.4550 -1.4629 0.0570 C.3 1 UNL1111111111 0.2713 14 C -1.3350 4.2565 -0.7783 C.3 1 UNL1111111111 -0.2759 15 C -0.0803 4.1445 0.0993 C.3 1 UNL1111111111 -0.2662 16 C 0.9135 3.1030 -0.4286 C.3 1 UNL1111111111 -0.2586 17 C -1.6220 -2.5209 -0.6873 C.3 1 UNL1111111111 -0.4088 18 C 2.0417 2.8782 0.5916 C.3 1 UNL1111111111 -0.2845 19 C -3.8973 -1.9749 0.1577 C.2 1 UNL1111111111 0.5736 20 C 2.7510 1.5908 0.3227 C.ar 1 UNL1111111111 -0.0071 21 C -0.1557 -2.2724 -0.5201 C.2 1 UNL1111111111 0.6777 22 C 2.2129 0.3613 0.7055 C.ar 1 UNL1111111111 -0.0154 23 C 3.9946 1.5970 -0.3188 C.ar 1 UNL1111111111 -0.1407 24 C 2.8855 -0.8392 0.5111 C.ar 1 UNL1111111111 -0.2069 25 C 4.6825 0.4090 -0.5566 C.ar 1 UNL1111111111 -0.1676 26 C 4.1153 -0.7858 -0.1303 C.ar 1 UNL1111111111 0.0154 27 H -3.5471 0.5614 1.1757 H 1 UNL1111111111 0.1386 28 H -1.5269 2.0740 0.9706 H 1 UNL1111111111 0.1654 29 H -3.0415 2.9734 0.9952 H 1 UNL1111111111 0.1392 30 H -2.8409 -0.1524 -1.6411 H 1 UNL1111111111 0.1902 31 H -1.3638 0.2309 -0.7369 H 1 UNL1111111111 0.1876 32 H -3.0113 3.1034 -1.5447 H 1 UNL1111111111 0.1420 33 H -1.4833 2.2377 -1.5740 H 1 UNL1111111111 0.1409 34 H -1.0557 4.6498 -1.7746 H 1 UNL1111111111 0.1343 35 H -2.0155 5.0113 -0.3385 H 1 UNL1111111111 0.1329 36 H 0.4122 5.1334 0.1638 H 1 UNL1111111111 0.1315 37 H -0.3766 3.8913 1.1363 H 1 UNL1111111111 0.1409 38 H 1.3330 3.4263 -1.3992 H 1 UNL1111111111 0.1381 39 H 0.3893 2.1509 -0.6367 H 1 UNL1111111111 0.1524 40 H -1.8572 -3.5441 -0.3199 H 1 UNL1111111111 0.1854 41 H -1.9003 -2.5194 -1.7684 H 1 UNL1111111111 0.2073 42 H 1.6313 2.8824 1.6252 H 1 UNL1111111111 0.1644 43 H 2.7435 3.7365 0.5677 H 1 UNL1111111111 0.1505 44 H -4.8873 1.9319 -0.2685 H 1 UNL1111111111 0.3168 45 H -2.0438 -2.0550 1.9176 H 1 UNL1111111111 0.3361 46 H 4.4318 2.5444 -0.6362 H 1 UNL1111111111 0.1643 47 H -5.3144 -2.5628 -1.0838 H 1 UNL1111111111 0.3603 48 H 2.4657 -1.7922 0.8620 H 1 UNL1111111111 0.2169 49 H 5.6492 0.4250 -1.0613 H 1 UNL1111111111 0.1762 50 H 1.2418 -1.1229 -1.3198 H 1 UNL1111111111 0.3582 @BOND 1 1 22 1 2 2 26 1 3 3 9 1 4 3 44 1 5 4 13 1 6 4 45 1 7 5 19 1 8 5 47 1 9 6 19 2 10 7 21 1 11 7 50 1 12 8 21 2 13 9 10 1 14 9 11 1 15 9 27 1 16 10 12 1 17 10 28 1 18 10 29 1 19 11 13 1 20 11 30 1 21 11 31 1 22 12 14 1 23 12 32 1 24 12 33 1 25 13 17 1 26 13 19 1 27 14 15 1 28 14 34 1 29 14 35 1 30 15 16 1 31 15 36 1 32 15 37 1 33 16 18 1 34 16 38 1 35 16 39 1 36 17 21 1 37 17 40 1 38 17 41 1 39 18 20 1 40 18 42 1 41 18 43 1 42 20 22 ar 43 20 23 ar 44 22 24 ar 45 23 25 ar 46 23 46 1 47 24 26 ar 48 24 48 1 49 25 26 ar 50 25 49 1