@MOLECULE [5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7818 2.4672 -1.4777 O.2 1 UNL111111111 -0.4565 2 C -2.9832 2.8754 -0.3702 C.2 1 UNL111111111 0.6072 3 O -3.0861 4.1992 -0.0933 O.3 1 UNL111111111 -0.5610 4 C -3.1519 2.0939 0.9196 C.3 1 UNL111111111 -0.1630 5 N -3.4988 0.7196 0.6459 N.ar 1 UNL111111111 -0.2339 6 C -4.7988 0.2178 0.5550 C.ar 1 UNL111111111 0.0467 7 C -6.0278 0.7990 0.8988 C.ar 1 UNL111111111 -0.1377 8 C -7.1673 0.0370 0.7438 C.ar 1 UNL111111111 -0.2339 9 C -7.0795 -1.2871 0.2527 C.ar 1 UNL111111111 0.2143 10 O -8.1477 -2.1143 0.0731 O.3 1 UNL111111111 -0.3098 11 C -9.4361 -1.5911 0.3585 C.3 1 UNL111111111 -0.2035 12 C -5.8736 -1.8838 -0.0951 C.ar 1 UNL111111111 -0.2228 13 C -4.7115 -1.1234 0.0526 C.ar 1 UNL111111111 -0.0093 14 C -3.3283 -1.3890 -0.1998 C.ar 1 UNL111111111 -0.2217 15 C -2.6209 -0.2443 0.1439 C.ar 1 UNL111111111 -0.0112 16 C -1.1656 -0.0056 0.0998 C.2 1 UNL111111111 0.6341 17 O -0.5886 0.6801 0.9272 O.2 1 UNL111111111 -0.5678 18 N -0.4551 -0.6443 -0.8982 N.am 1 UNL111111111 -0.8635 19 S 1.2845 -0.4297 -1.1693 S.O2 1 UNL111111111 2.3697 20 O 1.5876 -1.5832 -1.9742 O.2 1 UNL111111111 -0.8809 21 O 1.5156 0.9003 -1.6457 O.2 1 UNL111111111 -0.8488 22 C 1.9834 -0.6177 0.4638 C.3 1 UNL111111111 -0.6069 23 C 3.4674 -0.4987 0.4193 C.ar 1 UNL111111111 0.0497 24 C 4.2665 -1.6438 0.4672 C.ar 1 UNL111111111 -0.1714 25 C 5.6550 -1.5310 0.4545 C.ar 1 UNL111111111 -0.0845 26 C 6.2441 -0.2691 0.3994 C.ar 1 UNL111111111 -0.1483 27 C 7.7371 -0.1215 0.3896 C.3 1 UNL111111111 0.5444 28 F 8.1906 0.8829 1.1417 F 1 UNL111111111 -0.2023 29 F 8.4182 -1.1801 0.8277 F 1 UNL111111111 -0.2013 30 F 8.2390 0.1172 -0.8228 F 1 UNL111111111 -0.1973 31 C 5.4523 0.8786 0.3293 C.ar 1 UNL111111111 -0.0813 32 C 4.0660 0.7631 0.3427 C.ar 1 UNL111111111 -0.1674 33 H -2.9464 4.7828 -0.8818 H 1 UNL111111111 0.3644 34 H -2.1844 2.1439 1.5014 H 1 UNL111111111 0.2234 35 H -3.9238 2.5724 1.5734 H 1 UNL111111111 0.1933 36 H -6.0802 1.8176 1.2734 H 1 UNL111111111 0.1595 37 H -8.1354 0.4589 1.0011 H 1 UNL111111111 0.1651 38 H -9.5307 -1.3380 1.4186 H 1 UNL111111111 0.1323 39 H -9.6658 -0.7355 -0.2840 H 1 UNL111111111 0.1343 40 H -10.0877 -2.4404 0.1098 H 1 UNL111111111 0.1534 41 H -5.8380 -2.9027 -0.4698 H 1 UNL111111111 0.1806 42 H -2.9364 -2.3141 -0.5673 H 1 UNL111111111 0.1746 43 H -0.9720 -1.1650 -1.6092 H 1 UNL111111111 0.3405 44 H 1.5545 0.1542 1.1560 H 1 UNL111111111 0.2275 45 H 1.6647 -1.5820 0.9158 H 1 UNL111111111 0.1938 46 H 3.8091 -2.6324 0.5031 H 1 UNL111111111 0.1643 47 H 6.2610 -2.4382 0.4828 H 1 UNL111111111 0.1662 48 H 5.9069 1.8690 0.2581 H 1 UNL111111111 0.1677 49 H 3.4467 1.6615 0.2756 H 1 UNL111111111 0.1793 @BOND 1 2 1 2 2 2 3 1 3 3 33 1 4 4 2 1 5 4 34 1 6 4 35 1 7 5 4 1 8 5 15 ar 9 6 13 ar 10 6 5 ar 11 7 6 ar 12 7 36 1 13 8 9 ar 14 8 7 ar 15 8 37 1 16 9 12 ar 17 10 11 1 18 10 9 1 19 11 38 1 20 11 39 1 21 11 40 1 22 12 13 ar 23 12 41 1 24 13 14 ar 25 14 15 ar 26 14 42 1 27 15 16 1 28 16 17 2 29 16 18 am 30 18 19 1 31 18 43 1 32 19 20 2 33 19 21 2 34 19 22 1 35 22 23 1 36 22 44 1 37 22 45 1 38 23 32 ar 39 23 24 ar 40 24 25 ar 41 24 46 1 42 25 26 ar 43 25 47 1 44 26 27 1 45 27 30 1 46 27 28 1 47 27 29 1 48 31 26 ar 49 31 48 1 50 32 31 ar 51 32 49 1