@MOLECULE 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphenoxy)-2-oxopropyl]-1h-indole-5-carboxylic acid 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1580 1.6092 -0.4495 O.3 1 UNL1111111111 -0.2820 2 O -4.5184 -3.7647 0.3340 O.2 1 UNL1111111111 -0.0279 3 O -1.1585 0.4633 -0.6761 O.2 1 UNL1111111111 -0.3165 4 O -8.7952 1.3460 -1.0152 O.3 1 UNL1111111111 -0.5453 5 O -8.3339 3.4634 -0.5130 O.2 1 UNL1111111111 -0.5221 6 N -3.1006 0.1654 1.2150 N.ar 1 UNL1111111111 -0.2443 7 N -6.4532 -2.8545 -0.3170 N.ar 1 UNL1111111111 -0.4557 8 N -5.3388 -4.7974 -0.0505 N.ar 1 UNL1111111111 -0.2807 9 C 9.4566 -0.6526 -0.0755 C.3 1 UNL1111111111 -0.2716 10 C 8.8857 0.7610 -0.2472 C.3 1 UNL1111111111 -0.2720 11 C 10.9896 -0.6251 -0.0604 C.3 1 UNL1111111111 -0.2764 12 C 7.3542 0.7195 -0.2262 C.3 1 UNL1111111111 -0.2615 13 C 11.5516 -2.0434 0.0996 C.3 1 UNL1111111111 -0.2721 14 C 6.7600 2.1191 -0.4558 C.3 1 UNL1111111111 -0.2800 15 C 13.0856 -2.0233 0.1154 C.3 1 UNL1111111111 -0.2513 16 C -4.2271 0.8920 0.8128 C.ar 1 UNL1111111111 0.1391 17 C -5.2051 -0.0511 0.3640 C.ar 1 UNL1111111111 -0.0592 18 C 5.2656 2.0348 -0.4186 C.ar 1 UNL1111111111 -0.0424 19 C -4.6094 -1.3583 0.4856 C.ar 1 UNL1111111111 -0.1842 20 C -1.8309 0.7333 1.6084 C.3 1 UNL1111111111 -0.2044 21 C -3.3191 -1.1861 0.9815 C.ar 1 UNL1111111111 0.0488 22 C -4.4821 2.2705 0.8266 C.ar 1 UNL1111111111 -0.2362 23 C -6.4510 0.3951 -0.0811 C.ar 1 UNL1111111111 0.0014 24 C 13.6469 -3.4340 0.2933 C.3 1 UNL1111111111 -0.4394 25 C 4.5633 1.6196 -1.5586 C.ar 1 UNL1111111111 -0.1116 26 C 4.5713 2.3343 0.7510 C.ar 1 UNL1111111111 -0.1149 27 C -0.8842 0.8877 0.4054 C.2 1 UNL1111111111 0.3977 28 C -6.6919 1.7615 -0.0672 C.ar 1 UNL1111111111 -0.1821 29 C -5.2442 -2.5836 0.1537 C.ar 1 UNL1111111111 0.2801 30 C -5.7214 2.6876 0.3828 C.ar 1 UNL1111111111 -0.0523 31 C 2.5094 1.7754 -0.3293 C.ar 1 UNL1111111111 0.2152 32 C 0.4050 1.6060 0.7557 C.3 1 UNL1111111111 -0.1743 33 C 3.1848 1.4837 -1.5248 C.ar 1 UNL1111111111 -0.2226 34 C 3.1815 2.2109 0.8080 C.ar 1 UNL1111111111 -0.2867 35 C -7.9726 2.3123 -0.5270 C.2 1 UNL1111111111 0.6539 36 C -6.4974 -4.2624 -0.4421 C.ar 1 UNL1111111111 0.2662 37 C -7.6862 -4.9768 -0.9361 C.3 1 UNL1111111111 -0.4282 38 H 9.0777 -1.1028 0.8611 H 1 UNL1111111111 0.1370 39 H 9.0985 -1.3066 -0.8928 H 1 UNL1111111111 0.1380 40 H 9.2442 1.2014 -1.1961 H 1 UNL1111111111 0.1374 41 H 9.2605 1.4225 0.5557 H 1 UNL1111111111 0.1361 42 H 11.3501 0.0210 0.7613 H 1 UNL1111111111 0.1359 43 H 11.3705 -0.1702 -0.9936 H 1 UNL1111111111 0.1365 44 H 6.9802 0.0219 -0.9999 H 1 UNL1111111111 0.1423 45 H 6.9968 0.3148 0.7396 H 1 UNL1111111111 0.1400 46 H 11.1703 -2.5005 1.0317 H 1 UNL1111111111 0.1367 47 H 11.1914 -2.6889 -0.7230 H 1 UNL1111111111 0.1371 48 H 7.1083 2.5269 -1.4260 H 1 UNL1111111111 0.1501 49 H 7.1419 2.8240 0.3085 H 1 UNL1111111111 0.1459 50 H 13.4682 -1.5801 -0.8233 H 1 UNL1111111111 0.1338 51 H 13.4470 -1.3671 0.9293 H 1 UNL1111111111 0.1334 52 H -1.9948 1.7261 2.0932 H 1 UNL1111111111 0.1773 53 H -1.3466 0.0854 2.3802 H 1 UNL1111111111 0.1791 54 H -2.5665 -1.9315 1.1842 H 1 UNL1111111111 0.1829 55 H -3.7367 2.9800 1.1649 H 1 UNL1111111111 0.1582 56 H -7.2016 -0.3280 -0.4303 H 1 UNL1111111111 0.2073 57 H 13.3000 -3.8882 1.2281 H 1 UNL1111111111 0.1424 58 H 13.3407 -4.0934 -0.5265 H 1 UNL1111111111 0.1428 59 H 14.7421 -3.4253 0.3177 H 1 UNL1111111111 0.1406 60 H 5.1085 1.3945 -2.4758 H 1 UNL1111111111 0.1591 61 H 5.1140 2.6659 1.6353 H 1 UNL1111111111 0.1513 62 H -5.9716 3.7539 0.3694 H 1 UNL1111111111 0.1753 63 H 0.9422 1.0806 1.5677 H 1 UNL1111111111 0.1554 64 H 0.2193 2.6571 1.0501 H 1 UNL1111111111 0.1579 65 H 2.6209 1.1551 -2.3963 H 1 UNL1111111111 0.1790 66 H 2.6588 2.4618 1.7229 H 1 UNL1111111111 0.1551 67 H -7.4831 -6.0443 -1.1217 H 1 UNL1111111111 0.1755 68 H -8.5162 -4.9145 -0.2101 H 1 UNL1111111111 0.1801 69 H -8.0561 -4.5328 -1.8779 H 1 UNL1111111111 0.1841 70 H -9.6621 1.6989 -1.3332 H 1 UNL1111111111 0.3520 @BOND 1 1 31 1 2 1 32 1 3 2 8 ar 4 2 29 ar 5 3 27 2 6 4 35 1 7 4 70 1 8 5 35 2 9 6 16 ar 10 6 20 1 11 6 21 ar 12 7 29 ar 13 7 36 ar 14 8 36 ar 15 9 10 1 16 9 11 1 17 9 38 1 18 9 39 1 19 10 12 1 20 10 40 1 21 10 41 1 22 11 13 1 23 11 42 1 24 11 43 1 25 12 14 1 26 12 44 1 27 12 45 1 28 13 15 1 29 13 46 1 30 13 47 1 31 14 18 1 32 14 48 1 33 14 49 1 34 15 24 1 35 15 50 1 36 15 51 1 37 16 17 ar 38 16 22 ar 39 17 19 ar 40 17 23 ar 41 18 25 ar 42 18 26 ar 43 19 21 ar 44 19 29 1 45 20 27 1 46 20 52 1 47 20 53 1 48 21 54 1 49 22 30 ar 50 22 55 1 51 23 28 ar 52 23 56 1 53 24 57 1 54 24 58 1 55 24 59 1 56 25 33 ar 57 25 60 1 58 26 34 ar 59 26 61 1 60 27 32 1 61 28 30 ar 62 28 35 1 63 30 62 1 64 31 33 ar 65 31 34 ar 66 32 63 1 67 32 64 1 68 33 65 1 69 34 66 1 70 36 37 1 71 37 67 1 72 37 68 1 73 37 69 1