@MOLECULE 4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]-2-thiophenecarboxylic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.1099 2.2964 0.4361 S.2 1 UNL1111111111 0.3876 2 C 2.7273 1.7270 0.0540 C.ar 1 UNL1111111111 -0.4904 3 C 2.7544 0.3470 0.0642 C.ar 1 UNL1111111111 0.3196 4 C 1.4771 -0.2404 0.3897 C.ar 1 UNL1111111111 -0.1817 5 C 0.4966 0.6811 0.6213 C.ar 1 UNL1111111111 -0.0772 6 C 3.7850 2.6734 -0.1703 C.2 1 UNL1111111111 0.7013 7 O 4.9800 2.4931 -0.2231 O.2 1 UNL1111111111 -0.5505 8 O 3.3043 3.9402 -0.3289 O.3 1 UNL1111111111 -0.5539 9 C -0.8896 0.4397 0.9829 C.ar 1 UNL1111111111 0.0559 10 C -1.9045 0.7640 0.0882 C.ar 1 UNL1111111111 -0.2845 11 C -3.2494 0.5244 0.4428 C.ar 1 UNL1111111111 0.2565 12 C -3.5434 -0.0501 1.6943 C.ar 1 UNL1111111111 -0.2792 13 C -2.5119 -0.3654 2.5693 C.ar 1 UNL1111111111 -0.0636 14 C -1.1830 -0.1281 2.2258 C.ar 1 UNL1111111111 -0.2214 15 BR 1.2435 -2.0905 0.4499 Br 1 UNL1111111111 0.0315 16 O 3.7032 -0.5680 -0.1493 O.3 1 UNL1111111111 -0.2431 17 C 4.9667 -0.1405 -0.6670 C.3 1 UNL1111111111 -0.1299 18 C 5.6439 -1.4444 -1.0224 C.2 1 UNL1111111111 0.6179 19 O 6.2264 -1.3162 -2.2427 O.3 1 UNL1111111111 -0.5561 20 O 5.7285 -2.4550 -0.3856 O.2 1 UNL1111111111 -0.4521 21 N -4.2434 0.9482 -0.4388 N.pl3 1 UNL1111111111 -0.5565 22 C -5.6088 0.4029 -0.3415 C.3 1 UNL1111111111 0.0902 23 C -6.5322 1.2550 -1.2383 C.3 1 UNL1111111111 -0.2948 24 C -7.9691 0.7312 -1.1383 C.3 1 UNL1111111111 -0.2606 25 C -8.0399 -0.7474 -1.5425 C.3 1 UNL1111111111 -0.2669 26 C -7.1016 -1.5922 -0.6706 C.3 1 UNL1111111111 -0.2573 27 C -5.6628 -1.0787 -0.7763 C.3 1 UNL1111111111 -0.3210 28 H 4.0227 4.6085 -0.4603 H 1 UNL1111111111 0.3585 29 H -1.6682 1.1930 -0.8814 H 1 UNL1111111111 0.1655 30 H -4.5713 -0.2430 1.9843 H 1 UNL1111111111 0.1599 31 H -2.7456 -0.8090 3.5377 H 1 UNL1111111111 0.1484 32 H -0.3838 -0.3855 2.9159 H 1 UNL1111111111 0.1654 33 H 5.5368 0.3939 0.1260 H 1 UNL1111111111 0.1995 34 H 4.8368 0.5248 -1.5437 H 1 UNL1111111111 0.1851 35 H 6.7212 -2.1216 -2.5349 H 1 UNL1111111111 0.3569 36 H -3.9448 1.1574 -1.3844 H 1 UNL1111111111 0.2945 37 H -5.9520 0.4958 0.7222 H 1 UNL1111111111 0.1452 38 H -6.4848 2.3155 -0.9260 H 1 UNL1111111111 0.1488 39 H -6.1899 1.2268 -2.2883 H 1 UNL1111111111 0.1406 40 H -8.3505 0.8613 -0.1080 H 1 UNL1111111111 0.1386 41 H -8.6344 1.3334 -1.7847 H 1 UNL1111111111 0.1349 42 H -9.0777 -1.1167 -1.4516 H 1 UNL1111111111 0.1330 43 H -7.7693 -0.8615 -2.6088 H 1 UNL1111111111 0.1382 44 H -7.4379 -1.5675 0.3830 H 1 UNL1111111111 0.1373 45 H -7.1495 -2.6534 -0.9782 H 1 UNL1111111111 0.1367 46 H -5.2914 -1.1892 -1.8116 H 1 UNL1111111111 0.1454 47 H -4.9865 -1.6855 -0.1464 H 1 UNL1111111111 0.1480 @BOND 1 1 2 ar 2 1 5 ar 3 2 3 ar 4 2 6 1 5 3 4 ar 6 3 16 1 7 4 5 ar 8 4 15 1 9 5 9 1 10 6 7 2 11 6 8 1 12 8 28 1 13 9 10 ar 14 9 14 ar 15 10 11 ar 16 10 29 1 17 11 12 ar 18 11 21 1 19 12 13 ar 20 12 30 1 21 13 14 ar 22 13 31 1 23 14 32 1 24 16 17 1 25 17 18 1 26 17 33 1 27 17 34 1 28 18 19 1 29 18 20 2 30 19 35 1 31 21 22 1 32 21 36 1 33 22 23 1 34 22 27 1 35 22 37 1 36 23 24 1 37 23 38 1 38 23 39 1 39 24 25 1 40 24 40 1 41 24 41 1 42 25 26 1 43 25 42 1 44 25 43 1 45 26 27 1 46 26 44 1 47 26 45 1 48 27 46 1 49 27 47 1