69578033 -OEChem-03292410073D 28 29 0 0 0 0 0 0 0999 V2000 -5.5926 0.0419 -0.0053 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 1.1344 -0.1808 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 0.1547 -0.0272 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 -0.0653 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.2028 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -0.0384 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -1.2511 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 0.0127 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 1.1422 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 -2.4732 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 -0.7865 -0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 0.7365 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 2.4827 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 -0.7591 -0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5442 0.7640 0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 0.0161 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 0.0912 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 -2.1893 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4536 -2.6873 -0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -2.4068 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1572 -3.3317 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -1.3928 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6142 1.3236 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 2.4828 -1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 3.2565 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 2.7637 0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 -1.3403 -1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0782 1.3667 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 17 3 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 M END > 69578033 > 0.6 > 1 2 > 21 1 -0.19 10 0.14 11 -0.15 12 -0.15 13 0.14 14 -0.15 15 -0.15 16 0.19 17 0.48 18 0.15 2 -0.62 22 0.15 23 0.15 27 0.15 28 0.15 3 -0.56 4 0.31 5 -0.14 7 -0.15 8 0.07 9 0.17 > 1 > 4 1 2 acceptor 1 3 acceptor 6 2 4 5 7 8 9 rings 6 6 11 12 14 15 16 rings > 17 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0425AD3100000001 > 45.4674 > 20.298 > 10616163 171 18201437034132653727 11471102 20 18334858316349912134 11578080 2 17842522268024581889 12107183 9 17693663615055542411 12236239 1 18202846547903807123 12251169 10 18413389834593709407 13140716 1 18190739933066399152 13862211 1 18335699408876383706 14251717 144 18408603660573095318 14386348 63 16950286195733870339 14576447 43 18270388494725858511 15342168 16 17825394234658244725 15442244 35 18196374723330368785 15536298 74 18272934882362450270 16945 1 18334295375107744674 17802600 8 18411980264908566953 1813 80 18196382407533777022 18186145 218 18334849562832101125 19422 9 18343864411888040679 200 152 18342735226288719721 20279233 1 16805327677865545283 20612939 158 18334861662166898524 20645477 70 18261669260022255227 21267235 1 18342748428902292551 2255824 54 18409732863420688326 22854114 111 18410013272886858849 23402539 116 17132110239081095581 23402655 69 18411415073250898293 23557571 272 15339126718902700041 23559900 14 18341325677713897611 26918003 58 18187367644888509299 2748010 2 17973735967432932906 34797466 226 16200156551432438480 3545911 37 18411982468469058083 4072396 5 18188195551675185714 474 4 18264489657903308728 5104073 3 18339078318949170475 602551 16 15769478932778499023 77492 1 18202846552251515435 8272917 22 18410296878199023055 84936 182 18057041530631534344 9971528 1 18342739616088434580 9981440 41 17262986460976599560 9999458 23 18113900502829653308 > 332.62 9.51 1.83 0.85 3.64 0.01 0 0.22 0.05 -2.04 0 0.55 -0.01 -0.91 > 722.889 > 183.7 > 2 5 10 $$$$