53223703 -OEChem-03292401283D 34 35 0 0 0 0 0 0 0999 V2000 -4.0162 0.3828 -0.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 2.6067 -0.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 2.2819 0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -1.9252 0.1662 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 -0.3542 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5454 -0.2203 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 -0.6116 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 0.0273 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -0.2407 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 0.1411 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0737 0.0071 1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 0.4136 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -0.3358 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 0.0686 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8378 -0.1365 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 -1.2721 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 -2.2219 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 1.8204 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2147 -0.4313 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 0.1340 -2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 -0.3369 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 0.1163 2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 0.4645 -2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 -1.3071 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.2549 -3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 0.8201 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -1.0751 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9131 0.6065 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 -1.5648 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -3.2813 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6626 0.4748 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1543 -1.1630 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 -0.8222 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 3.5521 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 2 34 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 17 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > 53223703 > 0.6 > 1 17 13 11 18 5 8 4 15 16 14 2 9 3 7 12 10 6 > 24 1 -0.36 10 0.08 11 -0.15 12 0.09 13 0.14 14 -0.15 15 0.28 16 -0.15 17 0.16 18 0.63 2 -0.65 20 0.15 21 0.15 22 0.15 26 0.15 29 0.15 3 -0.57 30 0.15 34 0.5 4 -0.62 6 -0.14 7 0.31 8 -0.15 9 -0.15 > 4 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 2 3 18 anion 6 4 7 12 14 16 17 rings 6 5 6 8 9 10 11 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 7 > 032C211700000001 > 67.6927 > 35.58 > 10165383 225 18042695081806598908 11471102 20 18408602556972079296 12236239 1 17703789219346323602 13140716 1 18266167521716758154 13538477 17 17417518215775440822 13583140 156 18267592488712613123 13760787 19 18129663127068679727 14115302 16 17418088840719355846 14289901 80 18411699911440079611 14341114 176 18412549799447208163 15342168 16 18044658843537906124 15375462 478 18059573546737373769 15848700 24 16443066097368446951 16945 1 18409443679162070278 1813 80 18057898939817072598 18785283 64 18114742754417214588 200 152 18342735196197705123 20600515 1 15936971980171041413 20645476 183 17702659002838989391 20645477 70 18409450279978464050 21033648 29 17967798458651497637 21041028 32 18340200787372886696 21267235 1 18342462491676373786 22892500 29 18334295374728001528 23175994 123 18261674749612399518 23352939 185 17386868140125466590 23402539 116 18201432550718799061 23557571 272 17240197721180746861 23559900 14 17313395546977852539 31174 14 18187640297743982822 3286 77 18187363190474776991 3411729 13 15503518121017888348 465052 167 18202288004676944199 474 4 18268145534113130448 7495541 125 17894632552085802474 77492 1 17703501160300760086 8272917 22 18412549811920737662 9999458 23 18334577962138308150 > 368.42 9.09 1.85 1.36 12.34 0.74 0.87 -1.7 -2.23 -2.83 -0.21 0.42 -0.1 -0.09 > 793.747 > 203 > 2 5 10 $$$$