@MOLECULE 5-chloro-1-[(3-methoxyphenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.0039 -1.3564 0.9307 C.3 1 UNL1111111111 -0.2018 2 O -4.9792 -1.7993 0.0512 O.3 1 UNL1111111111 -0.3166 3 C -3.7137 -1.8414 0.5428 C.ar 1 UNL1111111111 0.2604 4 C -2.7642 -2.1662 -0.4402 C.ar 1 UNL1111111111 -0.2531 5 C -3.3450 -1.6021 1.8659 C.ar 1 UNL1111111111 -0.2905 6 C -1.9979 -1.7069 2.2115 C.ar 1 UNL1111111111 -0.0639 7 C -1.0419 -2.0319 1.2551 C.ar 1 UNL1111111111 -0.2289 8 C -1.4296 -2.2475 -0.0711 C.ar 1 UNL1111111111 0.0181 9 C -0.3819 -2.5204 -1.1254 C.3 1 UNL1111111111 -0.0935 10 N 0.5737 -1.4168 -1.1715 N.ar 1 UNL1111111111 -0.2160 11 C 0.2179 -0.0871 -1.4110 C.ar 1 UNL1111111111 0.0103 12 C -1.0491 0.3180 -2.0280 C.2 1 UNL1111111111 0.6344 13 O -1.5190 -0.6452 -2.8711 O.3 1 UNL1111111111 -0.5614 14 O -1.6562 1.3428 -1.8782 O.2 1 UNL1111111111 -0.4396 15 C 1.8237 -1.4300 -0.5584 C.ar 1 UNL1111111111 0.0887 16 C 2.6021 -2.5113 -0.1070 C.ar 1 UNL1111111111 -0.1837 17 C 3.8366 -2.2285 0.4373 C.ar 1 UNL1111111111 -0.1322 18 C 4.2758 -0.8920 0.5229 C.ar 1 UNL1111111111 -0.0208 19 CL 5.8196 -0.6152 1.2118 Cl 1 UNL1111111111 -0.0910 20 C 3.5462 0.1903 0.0898 C.ar 1 UNL1111111111 -0.1069 21 C 2.2854 -0.0743 -0.4642 C.ar 1 UNL1111111111 -0.0526 22 C 1.2476 0.7552 -0.9930 C.ar 1 UNL1111111111 -0.1712 23 S 1.2949 2.4923 -1.0548 S.3 1 UNL1111111111 0.1143 24 C -0.0225 2.9496 0.0536 C.ar 1 UNL1111111111 -0.0546 25 C -0.4362 2.1195 1.0940 C.ar 1 UNL1111111111 -0.1557 26 C -1.4676 2.5313 1.9356 C.ar 1 UNL1111111111 -0.1347 27 C -2.0733 3.7718 1.7446 C.ar 1 UNL1111111111 -0.1542 28 C -1.6463 4.6015 0.7091 C.ar 1 UNL1111111111 -0.1410 29 C -0.6220 4.1927 -0.1433 C.ar 1 UNL1111111111 -0.1390 30 H -6.8903 -1.3786 0.2820 H 1 UNL1111111111 0.1541 31 H -6.1264 -2.0488 1.7685 H 1 UNL1111111111 0.1320 32 H -5.8081 -0.3360 1.2765 H 1 UNL1111111111 0.1402 33 H -3.0876 -2.3279 -1.4658 H 1 UNL1111111111 0.1767 34 H -4.0783 -1.3366 2.6186 H 1 UNL1111111111 0.1631 35 H -1.6922 -1.5259 3.2423 H 1 UNL1111111111 0.1521 36 H 0.0071 -2.1004 1.5352 H 1 UNL1111111111 0.1637 37 H 0.1527 -3.4757 -0.9084 H 1 UNL1111111111 0.1645 38 H -0.8392 -2.6450 -2.1419 H 1 UNL1111111111 0.1889 39 H -2.3655 -0.3822 -3.3148 H 1 UNL1111111111 0.3598 40 H 2.2423 -3.5325 -0.1907 H 1 UNL1111111111 0.1643 41 H 4.4767 -3.0336 0.8016 H 1 UNL1111111111 0.1706 42 H 3.9129 1.2157 0.1671 H 1 UNL1111111111 0.1894 43 H 0.0269 1.1468 1.2616 H 1 UNL1111111111 0.1589 44 H -1.8002 1.8799 2.7407 H 1 UNL1111111111 0.1472 45 H -2.8795 4.0910 2.4003 H 1 UNL1111111111 0.1455 46 H -2.1205 5.5688 0.5577 H 1 UNL1111111111 0.1463 47 H -0.3155 4.8468 -0.9598 H 1 UNL1111111111 0.1593 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 1 32 1 5 2 3 1 6 3 5 ar 7 3 4 ar 8 4 8 ar 9 4 33 1 10 5 6 ar 11 5 34 1 12 6 7 ar 13 6 35 1 14 7 8 ar 15 7 36 1 16 8 9 1 17 9 10 1 18 9 37 1 19 9 38 1 20 10 15 ar 21 10 11 ar 22 11 22 ar 23 11 12 1 24 12 14 2 25 12 13 1 26 13 39 1 27 15 16 ar 28 15 21 ar 29 16 17 ar 30 16 40 1 31 17 18 ar 32 17 41 1 33 18 19 1 34 18 20 ar 35 20 21 ar 36 20 42 1 37 21 22 ar 38 22 23 1 39 23 24 1 40 24 29 ar 41 24 25 ar 42 25 26 ar 43 25 43 1 44 26 27 ar 45 26 44 1 46 27 28 ar 47 27 45 1 48 28 29 ar 49 28 46 1 50 29 47 1