6918277 -OEChem-04182416463D 39 41 0 1 0 0 0 0 0999 V2000 6.5278 1.8492 -1.0368 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 1.4061 1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -1.9850 0.1432 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -2.0692 -1.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 -4.1061 -0.1353 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6349 2.4458 -0.8321 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -0.6456 0.7817 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5965 0.1906 0.5603 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8749 -0.5299 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 0.0250 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 0.1090 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 -0.2475 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 0.9257 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5864 -3.1592 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 -0.3321 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.1241 1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3532 0.3808 0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 1.5542 -0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 1.2816 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -3.3959 -1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 0.2584 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8974 1.7146 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 1.2818 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6336 1.9237 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -0.8524 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 0.4596 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -0.5369 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 -1.5809 0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -0.9483 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 1.1505 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3673 1.1699 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 -3.2979 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1441 -1.1263 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 1.4682 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 0.1574 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 2.2509 -1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1927 -0.0778 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.5115 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 -3.8597 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 4 20 2 0 0 0 0 5 14 2 0 0 0 0 5 20 1 0 0 0 0 6 24 3 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 32 1 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 2 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 24 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M END > 6918277 > 0.8 > 1 17 13 7 10 12 5 15 9 4 18 21 19 22 11 14 6 20 2 3 8 16 > 35 1 -0.19 10 -0.14 11 -0.14 12 -0.15 13 -0.15 14 0.04 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.07 2 -0.68 20 0.37 21 -0.15 22 -0.15 23 0.19 24 0.48 29 0.15 3 0.31 30 0.15 31 0.4 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.71 5 -0.57 6 -0.56 7 0.4 8 0.28 9 0.14 > 5 > 8 1 2 acceptor 1 2 donor 1 6 acceptor 3 3 5 14 cation 3 4 5 20 cation 5 3 4 5 14 20 rings 6 10 12 13 17 18 19 rings 6 11 15 16 21 22 23 rings > 24 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 0069908500000001 > 52.4752 > 43.395 > 10369192 42 18333734602750716141 105312 117 18410012156211076095 107951 10 18337679706205933118 10815517 723 17984424307394027911 11823591 26 18337096904622739917 12363563 72 9367342673590464930 12730499 353 18339644426457849771 12788726 201 18122327236717289619 12895836 83 18336265725461724744 12895837 130 17970077849398610724 12969540 114 18412256233773776701 13149001 5 17916860360583247272 13257819 101 17676757674907199125 13257819 37 18411421734661019023 13540713 4 17629191895635919568 13911987 19 18342178860372963985 14341114 328 16225770704950033641 14790565 3 18341051822236919857 15163728 17 18264779770096006053 167882 2 18338799988047496298 17349148 13 11743847996818859656 17539 30 17982722271187288031 17980427 23 17313108566443769863 20645477 56 18338803415625849896 20871999 31 18271241746003473246 21033648 29 18340479049460989384 21756936 100 17677051364792017912 23227448 37 18264773344962035932 23559900 14 17461739302720185031 249057 3 18410577267619516182 268830 7 16661201602770559820 3298306 158 18411697647433443987 3472631 163 18260833739144715396 3729539 64 18126864698341309374 3759504 43 18408321116070718715 4015057 19 16845293903617823600 4058900 60 18338525114598335785 59755656 520 17775015604532953531 6327066 14 18335137600519158613 633830 44 17846505777118427689 6669772 16 18271811185769049974 77188 2 17109887193397083691 7808743 9 18261674891351731424 81228 2 17764286724487614443 > 460.84 13.05 3.46 1.32 2.65 4.47 0.04 -14.82 3.61 -1.79 0.87 0.35 0.05 0.8 > 998.508 > 252.9 > 2 5 10 $$$$