3229 -OEChem-04232420493D 40 42 0 0 0 0 0 0 0999 V2000 -2.1154 2.6499 -0.4619 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 2.2611 -0.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 1.3101 0.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6093 -0.8127 -0.2713 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 0.1116 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7757 -0.5684 0.2563 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 -1.4794 0.3311 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 -0.6745 0.1646 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 -1.2155 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8552 0.8073 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9642 -1.1588 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 0.7905 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 0.3609 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 -0.4328 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 0.8663 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 1.6599 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 1.9148 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 -2.8059 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 1.1357 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8389 -1.2162 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 -0.0191 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7323 -3.5675 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8551 0.0828 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 -1.9319 0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -1.5742 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.8492 1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7517 0.3090 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0881 -0.5842 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 -2.1742 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9389 1.2155 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4543 1.4244 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7506 -0.5400 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 2.9286 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -3.3785 1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -2.7698 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 -2.1026 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0195 -3.0580 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 -3.6714 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 -4.5712 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2022 1.4170 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 23 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 32 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > 3229 > 0.8 > 1 5 2 4 3 > 26 1 -0.19 10 0.37 11 0.27 12 0.27 13 0.41 14 0.41 15 0.09 16 0.19 17 -0.15 18 0.37 19 0.47 2 -0.57 20 -0.05 21 0.03 23 0.71 3 -0.65 32 0.36 33 0.15 36 0.15 4 -0.57 40 0.5 5 -0.84 6 -0.9 7 -0.57 8 -0.62 9 0.37 > 4.2 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 6 donor 3 3 4 23 anion 3 7 8 14 cation 6 5 6 9 10 11 12 rings 6 7 14 15 19 20 21 rings 6 8 13 14 15 16 17 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00000C9D00000001 > 66.6836 > 55.914 > 10090160 65 18186800287861162315 10616163 171 18411982468669849479 10906281 52 18187948156662672753 10967382 1 18408886247693004618 1100329 8 18265330792940875714 11488393 25 17772489914302121910 11578080 2 16807843235937081159 12107183 9 17622172265395613705 12236239 1 18131633395944231881 12553582 1 18337941342764827695 12596602 18 17561365097528983721 12839892 36 18265878199513550994 13140716 1 18263649630813453099 13583140 156 14045736024374263925 13836976 161 18334297591015717542 13862211 1 18334853905545353186 14178342 30 18122613968986470192 14787075 74 18342454872108809824 14790565 3 18411141380407093053 14863182 85 18336276660490821198 15196674 1 18410292510180028240 15927050 60 17619916496552670109 17349148 13 17966969421892679441 1813 80 17603878758436446437 18681886 176 18341325686636141616 19591789 44 18339078297527204086 200 152 18413668019894697985 20028762 73 18272647982504902950 20645477 70 18335136480038966263 21054139 6 18270953648308894999 21197605 99 18193004935573525659 21267235 1 18409738369568631835 21421861 104 18044092354668225979 21673915 165 18412263921849560971 21709351 56 18335135388864130917 23402539 116 18413385449506044269 23559900 14 17834383536646937242 26918003 58 17675928707374655897 2871803 45 18334852814101206127 335352 9 18408887347220476550 33824 294 18408041788487887810 34797466 226 16558477498913353624 34934 24 18337950091755517507 350125 39 18409730668708620580 465052 167 17894634755546391890 474229 33 18409165528184364482 5104073 3 18263922133867597368 5486654 2 18339645637232614100 59755656 215 18335702693624298295 9709674 26 18263088734297965571 > 428.52 11.23 2.84 0.77 3.44 1.58 0.02 -0.63 0.73 -0.84 -0.43 0.34 0.09 -0.44 > 923.278 > 235.1 > 2 5 10 $$$$