@MOLECULE [(2-methyl-8-{[(4-methylphenyl)sulfonyl]amino}-6-quinolinyl)oxy]acetic acid 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.7754 -2.1069 -1.5132 S.O2 1 UNL1111111111 2.3648 2 O 3.3962 1.1468 -0.0801 O.3 1 UNL1111111111 -0.2895 3 O -1.7451 -2.7712 -2.3454 O.2 1 UNL1111111111 -0.8822 4 O 0.5817 -2.5777 -1.3745 O.2 1 UNL1111111111 -0.8899 5 O 5.6240 -1.4484 0.7528 O.3 1 UNL1111111111 -0.5773 6 O 5.6510 0.6996 1.3444 O.2 1 UNL1111111111 -0.4544 7 N -0.6895 -0.4640 -2.1456 N.pl3 1 UNL1111111111 -0.8012 8 N -2.0170 1.7020 -1.0100 N.ar 1 UNL1111111111 -0.4037 9 C 0.0261 0.4745 -1.3836 C.ar 1 UNL1111111111 0.2495 10 C -0.6613 1.6037 -0.8076 C.ar 1 UNL1111111111 0.0251 11 C 0.0649 2.5393 -0.0353 C.ar 1 UNL1111111111 -0.0076 12 C -1.4546 -1.8448 0.0831 C.ar 1 UNL1111111111 -0.4405 13 C 1.3811 0.3144 -1.1723 C.ar 1 UNL1111111111 -0.3277 14 C 1.4482 2.3570 0.1823 C.ar 1 UNL1111111111 -0.2857 15 C 2.0623 1.2492 -0.3665 C.ar 1 UNL1111111111 0.2588 16 C -0.6731 3.6191 0.5331 C.ar 1 UNL1111111111 -0.1062 17 C -2.6760 2.7069 -0.4582 C.ar 1 UNL1111111111 0.2144 18 C -2.8384 -1.8154 0.2556 C.ar 1 UNL1111111111 -0.0356 19 C -0.6161 -1.6314 1.1774 C.ar 1 UNL1111111111 -0.0440 20 C -2.0230 3.7035 0.3371 C.ar 1 UNL1111111111 -0.2335 21 C -2.5423 -1.3919 2.6199 C.ar 1 UNL1111111111 0.1077 22 C -3.3800 -1.5903 1.5184 C.ar 1 UNL1111111111 -0.2247 23 C -1.1553 -1.4017 2.4394 C.ar 1 UNL1111111111 -0.2239 24 C -4.1463 2.7973 -0.6974 C.3 1 UNL1111111111 -0.4540 25 C -3.1218 -1.1666 3.9734 C.3 1 UNL1111111111 -0.4715 26 C 3.9225 -0.1749 -0.1788 C.3 1 UNL1111111111 -0.1287 27 C 5.1283 -0.1791 0.7217 C.2 1 UNL1111111111 0.6134 28 H -1.5559 -0.0924 -2.5538 H 1 UNL1111111111 0.3323 29 H 1.9109 -0.5154 -1.6489 H 1 UNL1111111111 0.2100 30 H 2.0126 3.0646 0.7850 H 1 UNL1111111111 0.1846 31 H -0.1365 4.3661 1.1224 H 1 UNL1111111111 0.1693 32 H -3.5150 -1.9723 -0.5924 H 1 UNL1111111111 0.1695 33 H 0.4732 -1.6468 1.0611 H 1 UNL1111111111 0.1684 34 H -2.6134 4.5088 0.7681 H 1 UNL1111111111 0.1713 35 H -4.4595 -1.5716 1.6501 H 1 UNL1111111111 0.1567 36 H -0.4948 -1.2316 3.2880 H 1 UNL1111111111 0.1596 37 H -4.5121 1.9599 -1.3152 H 1 UNL1111111111 0.1773 38 H -4.7155 2.7797 0.2426 H 1 UNL1111111111 0.1640 39 H -4.4032 3.7280 -1.2261 H 1 UNL1111111111 0.1688 40 H -3.2862 -0.0924 4.1557 H 1 UNL1111111111 0.1694 41 H -4.0915 -1.6675 4.1040 H 1 UNL1111111111 0.1619 42 H -2.4643 -1.5290 4.7775 H 1 UNL1111111111 0.1635 43 H 3.1896 -0.9494 0.1413 H 1 UNL1111111111 0.1863 44 H 4.2113 -0.3674 -1.2331 H 1 UNL1111111111 0.1743 45 H 6.4260 -1.5484 1.3188 H 1 UNL1111111111 0.3605 @BOND 1 1 3 2 2 1 4 2 3 1 7 1 4 1 12 1 5 2 15 1 6 2 26 1 7 5 27 1 8 5 45 1 9 6 27 2 10 7 9 1 11 7 28 1 12 8 10 ar 13 8 17 ar 14 9 10 ar 15 9 13 ar 16 10 11 ar 17 11 14 ar 18 11 16 ar 19 12 18 ar 20 12 19 ar 21 13 15 ar 22 13 29 1 23 14 15 ar 24 14 30 1 25 16 20 ar 26 16 31 1 27 17 20 ar 28 17 24 1 29 18 22 ar 30 18 32 1 31 19 23 ar 32 19 33 1 33 20 34 1 34 21 22 ar 35 21 23 ar 36 21 25 1 37 22 35 1 38 23 36 1 39 24 37 1 40 24 38 1 41 24 39 1 42 25 40 1 43 25 41 1 44 25 42 1 45 26 27 1 46 26 43 1 47 26 44 1