65434555 -OEChem-03292410273D 32 33 0 0 0 0 0 0 0999 V2000 -0.9794 -2.3682 -0.4565 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7013 2.0336 0.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 1.5001 -0.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 -0.4862 0.1588 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 0.4283 0.0293 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -0.1645 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 -0.2556 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 0.6871 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 0.3657 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -1.5397 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 0.9516 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -1.2354 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 0.1635 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 0.1988 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 -2.0633 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8502 1.1788 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 -1.0083 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -1.2117 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 2.8255 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 -1.3886 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 1.7570 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -2.1805 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0556 0.7611 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -3.1339 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 2.1232 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 -1.7797 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3776 -1.6207 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 1.3029 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 -0.2821 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 3.8685 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 2.5852 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5728 2.7633 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 9 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 22 1 0 0 0 0 13 18 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 65434555 > 0.6 > 5 1 11 12 10 2 7 6 4 8 3 9 > 29 1 -0.19 10 0.19 11 -0.15 12 -0.15 13 -0.15 14 0.1 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.28 2 -0.36 20 0.37 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.4 29 0.4 3 -0.57 4 -0.55 5 -0.9 6 0.09 7 0.12 8 0.08 9 0.54 > 4 > 7 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 6 6 8 10 13 15 18 rings 6 7 11 12 14 16 17 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03E673BB00000005 > 78.0277 > 35.53 > 10411042 1 17980197805997405663 10595046 47 18336547217939674700 10616163 171 18410857693664812174 10912923 1 18040995138039949720 11315181 36 18261392273734320016 12107183 9 17832138329850352770 12173636 292 18341607118573501927 12236239 1 18113053843915244290 12251169 10 18410011048251736924 12390115 104 18058183743124496617 13140716 1 18194973065855654947 13167823 11 18407758140563608954 13897977 58 18410013247148391807 14420673 8 18049726222358946914 15042514 8 18267870669481777039 15196674 1 18409448051301861418 15442244 35 18408322168274064692 17804303 29 18271526493760821347 17844677 252 18342184383959252496 1813 80 17095531660330649902 19050596 39 18334574663845907450 19422 9 18333450941118303210 200 152 18334853956610141946 20281475 54 18334568028132121098 20510252 161 18273219681680557225 21033648 29 17203312404366355976 21065198 48 18334853892481025346 21267235 1 18335710467826333578 2297311 6 18201731677209256196 2306618 200 18131641084289094227 23175994 123 16845578629531258192 23402539 116 18343295998910032751 23402655 69 18407760322707448204 23557571 272 18272940422928180524 23559900 14 18270390702201846616 34797466 226 17631464513388469476 350125 39 18411139147683443217 3545911 37 18410293609707473772 4214541 1 18410573968130071384 474 4 17387136566833646324 5104073 3 18335415743133640752 542803 24 17203613700617078610 559249 180 18337387132975194170 573450 72 18336538352636682602 6327066 14 18118398446007220533 77779 3 18410293605787072370 9709674 26 18411143536660264110 > 362.04 11.16 2.31 0.7 9.63 0.51 0.01 1.09 1.1 -2.92 0.06 0.08 0.02 -0.85 > 782.2 > 199.1 > 2 5 10 $$$$