@MOLECULE (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8963 -3.5887 2.4321 O.3 1 UNL111111111 -0.5680 2 C 1.8336 -2.7836 1.3393 C.2 1 UNL111111111 0.6091 3 O 1.9546 -3.2140 0.2290 O.2 1 UNL111111111 -0.4551 4 C 1.5927 -1.3613 1.8047 C.3 1 UNL111111111 -0.1633 5 N 1.8980 -0.4144 0.7597 N.ar 1 UNL111111111 -0.2306 6 C 3.1536 0.1505 0.5307 C.ar 1 UNL111111111 0.0456 7 C 4.3328 0.0929 1.2869 C.ar 1 UNL111111111 -0.1379 8 C 5.4256 0.8031 0.8333 C.ar 1 UNL111111111 -0.2366 9 C 5.3400 1.5589 -0.3598 C.ar 1 UNL111111111 0.2126 10 O 6.3632 2.2941 -0.8818 O.3 1 UNL111111111 -0.3123 11 C 7.5732 2.3494 -0.1423 C.3 1 UNL111111111 -0.2030 12 C 4.1863 1.6223 -1.1312 C.ar 1 UNL111111111 -0.2240 13 C 3.0725 0.9063 -0.6869 C.ar 1 UNL111111111 -0.0079 14 C 1.7474 0.7387 -1.1970 C.ar 1 UNL111111111 -0.2271 15 C 1.0646 -0.0852 -0.3111 C.ar 1 UNL111111111 -0.0038 16 C -0.3424 -0.5324 -0.3601 C.2 1 UNL111111111 0.6327 17 O -0.9690 -0.8232 0.6450 O.2 1 UNL111111111 -0.5656 18 N -0.9469 -0.5673 -1.5986 N.am 1 UNL111111111 -0.8599 19 S -2.6438 -1.0275 -1.8531 S.O2 1 UNL111111111 2.3988 20 O -2.8701 -0.4910 -3.1760 O.2 1 UNL111111111 -0.9120 21 O -2.7665 -2.4330 -1.5930 O.2 1 UNL111111111 -0.8604 22 C -3.5172 -0.0986 -0.6797 C.ar 1 UNL111111111 -0.4947 23 C -3.6677 -0.5843 0.6274 C.ar 1 UNL111111111 0.0546 24 C -4.3473 0.1633 1.5754 C.ar 1 UNL111111111 -0.3027 25 C -4.8741 1.4128 1.2028 C.ar 1 UNL111111111 0.3129 26 O -5.4985 2.0451 2.2216 O.3 1 UNL111111111 -0.3157 27 C -6.0466 3.3326 1.9669 C.3 1 UNL111111111 -0.2045 28 C -4.7428 1.9057 -0.0991 C.ar 1 UNL111111111 -0.3508 29 C -4.0601 1.1364 -1.0353 C.ar 1 UNL111111111 0.0216 30 H 2.0133 -4.5471 2.2138 H 1 UNL111111111 0.3627 31 H 0.5106 -1.2637 2.1220 H 1 UNL111111111 0.2316 32 H 2.1942 -1.1409 2.7222 H 1 UNL111111111 0.1901 33 H 4.3847 -0.4953 2.1987 H 1 UNL111111111 0.1585 34 H 6.3546 0.7774 1.3960 H 1 UNL111111111 0.1635 35 H 8.1928 3.0094 -0.7658 H 1 UNL111111111 0.1520 36 H 7.4134 2.7969 0.8428 H 1 UNL111111111 0.1318 37 H 8.0317 1.3585 -0.0660 H 1 UNL111111111 0.1334 38 H 4.1529 2.2071 -2.0456 H 1 UNL111111111 0.1791 39 H 1.3714 1.1911 -2.0907 H 1 UNL111111111 0.1731 40 H -0.3882 -0.3739 -2.4299 H 1 UNL111111111 0.3368 41 H -3.2424 -1.5574 0.9176 H 1 UNL111111111 0.1858 42 H -4.4684 -0.1905 2.5957 H 1 UNL111111111 0.1766 43 H -6.4819 3.5932 2.9428 H 1 UNL111111111 0.1612 44 H -5.2610 4.0447 1.6953 H 1 UNL111111111 0.1383 45 H -6.8266 3.2822 1.2011 H 1 UNL111111111 0.1377 46 H -5.1575 2.8652 -0.3837 H 1 UNL111111111 0.1652 47 H -3.9590 1.5197 -2.0599 H 1 UNL111111111 0.1707 @BOND 1 1 30 1 2 2 3 2 3 2 1 1 4 4 5 1 5 4 2 1 6 4 31 1 7 4 32 1 8 5 15 ar 9 6 13 ar 10 6 5 ar 11 7 6 ar 12 7 33 1 13 8 9 ar 14 8 7 ar 15 8 34 1 16 9 12 ar 17 10 11 1 18 10 9 1 19 11 35 1 20 11 36 1 21 11 37 1 22 12 13 ar 23 12 38 1 24 13 14 ar 25 14 15 ar 26 14 39 1 27 15 16 1 28 16 17 2 29 16 18 am 30 18 19 1 31 18 40 1 32 19 21 2 33 19 20 2 34 19 22 1 35 22 29 ar 36 23 22 ar 37 23 24 ar 38 23 41 1 39 24 25 ar 40 24 42 1 41 25 28 ar 42 25 26 1 43 26 27 1 44 27 43 1 45 27 44 1 46 27 45 1 47 28 46 1 48 29 28 ar 49 29 47 1