4539 -OEChem-04192404273D 41 43 0 0 0 0 0 0 0999 V2000 -2.1109 -2.6635 -0.3503 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -2.2970 -0.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -1.1914 -0.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6358 0.5750 0.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0806 -0.0884 -0.0133 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8499 0.5568 0.2392 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 1.5161 0.2831 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 -0.7432 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 1.2032 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -0.7768 0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0609 1.1010 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7056 -0.3487 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.4821 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 0.7042 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 -0.8505 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 -1.6502 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -1.9057 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 2.8864 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -1.1540 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8903 1.2068 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -0.0124 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 3.5996 -0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 -0.1493 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 -0.1908 1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 -1.7711 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0298 1.5248 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 1.9684 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4999 -1.4607 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9702 -1.1676 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4386 2.0975 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1859 0.4742 -1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8274 0.4956 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 1.7067 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4604 -2.9289 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1638 2.9583 1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 3.4434 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 2.0821 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 3.6116 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 3.1146 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 4.6367 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2058 -1.3155 -0.7015 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 41 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 33 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 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > 4539 > 0.8 > 1 5 3 4 2 > 27 1 -0.19 10 0.27 11 0.27 12 0.1 13 0.1 14 -0.15 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 34 0.15 37 0.15 4 -0.57 41 0.5 5 -0.84 6 -0.9 7 -0.57 8 0.37 9 0.37 > 4.2 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 6 donor 1 7 cation 3 3 4 23 anion 6 12 13 14 15 16 17 rings 6 5 6 8 9 10 11 rings 6 7 13 15 19 20 21 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000011BB00000001 > 72.0128 > 55.91 > 10 15 18335133241776037424 10366900 7 17458341966303003155 10688039 33 18113618941490016204 10967382 1 18411981338771300942 1100329 8 18339924934397012304 11578080 2 16915081065773075106 11646440 116 18273218603211412033 12011746 2 18411982429576845892 12035758 1 18409724079911933552 12166972 35 18130506422522724425 12293681 4 18040443187007546681 12403259 415 18408597063814889885 12507557 5 18411421722123958289 12553582 1 18337941342675241410 12788726 201 18261673650159008992 12838862 33 18340466920905523864 13140716 1 18196371648139092248 13402501 40 18335135354757749341 13533116 47 17060342877685197534 13583140 156 18041002860423095627 13862211 1 18412539890731166538 14170010 4 18413387640145307801 14341114 176 18410018758066420361 14790565 3 18339367370301658952 15081414 286 18342464711910552780 15099037 51 18411699893748507213 15131766 46 14403459994242429530 15196674 1 18340767156146188162 1601671 61 18410573981083473576 17349148 13 17704077295824859683 18785283 64 18117565234545244332 19141452 34 18273212032022250958 19591789 44 18266177236210094719 200 152 17917707985875775065 20642791 178 18117845632133919244 21033648 29 18130490969077516769 21267235 1 18340778057105722142 21279426 13 18195528090871449444 21285901 2 18270687442035295828 21421861 104 17969491607715938250 21641784 216 18043267772714329420 21709351 56 18410567414616340797 221357 26 18410849924569893525 23227448 37 18340767152088844951 23366157 5 17826226586862432004 23402539 116 18272643545734399527 23558518 356 17902506326487688778 23559900 14 18343014540480409329 3004659 81 18187086118773494174 335352 9 18412544323205689366 34934 24 18411692188978442538 350125 39 18267026244361117299 3545911 37 18342459248443217898 4340502 62 17022624152320584642 5104073 3 18268425909504153058 59755656 215 18339365154784161502 7495541 125 18040723609796117721 7832392 63 18340761641281631566 9709674 26 18265616678854663899 9981440 41 17186152613954803736 9999458 23 18186802525454441797 > 433.5 11.36 2.84 0.8 4 1.67 -0.01 -0.79 -0.74 -0.97 0.52 0.25 0.12 0.78 > 934.79 > 238.3 > 2 5 10 $$$$