@MOLECULE {5-methoxy-2-[(4-morpholinylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4907 -4.2747 -0.1417 O.3 1 UNL111111111 -0.5660 2 C 1.4256 -2.9561 -0.4597 C.2 1 UNL111111111 0.6087 3 O 1.3139 -2.5799 -1.5907 O.2 1 UNL111111111 -0.4557 4 C 1.5125 -2.1501 0.8216 C.3 1 UNL111111111 -0.1642 5 N 1.8230 -0.7682 0.5467 N.ar 1 UNL111111111 -0.2320 6 C 3.1110 -0.2409 0.4424 C.ar 1 UNL111111111 0.0455 7 C 4.3584 -0.8213 0.7105 C.ar 1 UNL111111111 -0.1388 8 C 5.4825 -0.0364 0.5523 C.ar 1 UNL111111111 -0.2353 9 C 5.3591 1.3097 0.1340 C.ar 1 UNL111111111 0.2134 10 O 6.4090 2.1618 -0.0400 O.3 1 UNL111111111 -0.3111 11 C 7.7118 1.6537 0.2038 C.3 1 UNL111111111 -0.2033 12 C 4.1339 1.9040 -0.1430 C.ar 1 UNL111111111 -0.2245 13 C 2.9874 1.1205 0.0054 C.ar 1 UNL111111111 -0.0093 14 C 1.5933 1.3732 -0.1927 C.ar 1 UNL111111111 -0.2240 15 C 0.9142 0.2020 0.1180 C.ar 1 UNL111111111 -0.0034 16 C -0.5383 -0.0675 0.0949 C.2 1 UNL111111111 0.6360 17 O -1.0692 -0.8618 0.8476 O.2 1 UNL111111111 -0.5399 18 N -1.2796 0.6385 -0.8365 N.am 1 UNL111111111 -0.8473 19 S -3.0162 0.4753 -1.0418 S.O2 1 UNL111111111 2.4696 20 O -3.3213 1.5579 -1.9439 O.2 1 UNL111111111 -0.9017 21 O -3.3311 -0.8845 -1.3589 O.2 1 UNL111111111 -0.8605 22 N -3.6359 0.8801 0.5284 N.3 1 UNL111111111 -0.6978 23 C -4.6619 1.9365 0.5803 C.3 1 UNL111111111 -0.1263 24 C -6.0796 1.3826 0.3399 C.3 1 UNL111111111 -0.0853 25 O -6.3535 0.3177 1.2308 O.3 1 UNL111111111 -0.3830 26 C -5.4290 -0.7508 1.1152 C.3 1 UNL111111111 -0.0884 27 C -4.0031 -0.2501 1.4016 C.3 1 UNL111111111 -0.1247 28 H 1.3964 -4.8780 -0.9209 H 1 UNL111111111 0.3635 29 H 0.5260 -2.2321 1.3689 H 1 UNL111111111 0.2297 30 H 2.2736 -2.5935 1.5123 H 1 UNL111111111 0.1910 31 H 4.4376 -1.8575 1.0271 H 1 UNL111111111 0.1589 32 H 6.4645 -0.4584 0.7477 H 1 UNL111111111 0.1644 33 H 7.8270 1.3505 1.2487 H 1 UNL111111111 0.1321 34 H 7.9500 0.8357 -0.4830 H 1 UNL111111111 0.1339 35 H 8.3420 2.5281 -0.0116 H 1 UNL111111111 0.1526 36 H 4.0722 2.9392 -0.4656 H 1 UNL111111111 0.1796 37 H 1.1771 2.3074 -0.5050 H 1 UNL111111111 0.1736 38 H -0.8000 1.2852 -1.4662 H 1 UNL111111111 0.3413 39 H -4.6065 2.3919 1.5989 H 1 UNL111111111 0.1572 40 H -4.4306 2.7544 -0.1397 H 1 UNL111111111 0.1663 41 H -6.8586 2.1221 0.5990 H 1 UNL111111111 0.1441 42 H -6.2343 1.0463 -0.6999 H 1 UNL111111111 0.1334 43 H -5.7819 -1.4612 1.8828 H 1 UNL111111111 0.1437 44 H -5.5187 -1.2206 0.1186 H 1 UNL111111111 0.1452 45 H -3.2643 -1.0824 1.3096 H 1 UNL111111111 0.1824 46 H -3.9280 0.1104 2.4552 H 1 UNL111111111 0.1562 @BOND 1 1 28 1 2 2 1 1 3 3 2 2 4 4 2 1 5 4 29 1 6 4 30 1 7 5 4 1 8 5 15 ar 9 6 13 ar 10 6 5 ar 11 7 6 ar 12 7 31 1 13 8 9 ar 14 8 7 ar 15 8 32 1 16 9 12 ar 17 10 11 1 18 10 9 1 19 11 33 1 20 11 34 1 21 11 35 1 22 12 13 ar 23 12 36 1 24 13 14 ar 25 14 15 ar 26 14 37 1 27 15 16 1 28 16 18 am 29 16 17 2 30 18 19 1 31 18 38 1 32 19 22 1 33 19 20 2 34 19 21 2 35 23 22 1 36 23 24 1 37 23 39 1 38 23 40 1 39 24 41 1 40 24 42 1 41 25 26 1 42 25 24 1 43 26 43 1 44 26 44 1 45 27 22 1 46 27 26 1 47 27 45 1 48 27 46 1