65434365 -OEChem-03192405273D 38 39 0 0 0 0 0 0 0999 V2000 -1.3762 2.2729 0.7172 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -2.0879 -0.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 -1.5774 0.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 0.5207 -0.1021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 2.6591 -0.7618 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 -1.1246 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 0.3352 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -0.0781 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 1.3818 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1607 -0.9179 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 1.1750 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -2.4747 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8843 -0.2760 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1283 0.0908 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 -0.4046 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 -0.7672 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 1.4387 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 -0.2770 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 1.9289 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7373 1.0709 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -2.8887 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 -1.7705 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 1.9932 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 1.4451 -0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -3.1832 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7076 -2.4154 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.8965 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2337 -0.5622 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1714 -1.0472 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4169 0.6403 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 3.4007 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 2.8615 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3536 -0.8817 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 2.9783 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7527 1.4538 -0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 -3.9079 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5717 -2.5631 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7985 -2.9392 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > 65434365 > 0.6 > 5 2 32 31 16 26 9 20 28 19 24 18 8 7 12 10 25 23 29 13 30 6 4 15 11 22 14 27 21 17 1 3 > 29 1 -0.19 10 -0.15 11 -0.15 12 0.14 13 0.14 14 0.09 15 0.54 16 0.08 17 0.19 18 -0.15 19 -0.15 2 -0.36 20 -0.15 21 0.28 22 0.15 23 0.15 24 0.37 3 -0.57 31 0.4 32 0.4 33 0.15 34 0.15 35 0.15 4 -0.55 5 -0.9 6 -0.14 7 0.12 8 -0.14 9 0.1 > 4 > 7 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 6 14 16 17 18 19 20 rings 6 6 7 8 9 10 11 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03E672FD00000005 > 86.9414 > 35.533 > 10062212 137 18342172276245829103 10595046 47 18410292553335546558 10616163 171 18342177790810166799 12107183 9 17833831564851048882 12236239 1 18333450923912014816 13167823 11 18410292523081131190 13583140 156 17274811463556052686 14341114 176 18340493278903327094 14576447 43 18409165545775696862 15196674 1 18410576223098717060 15250474 111 18338504300887119362 15442244 35 18336828589594551176 17349148 13 18131065991914643341 17492 89 18411139155646150007 17834072 33 18408887352006001988 1813 80 17095813114111878012 18186145 218 17312816108729189635 18681886 176 18271241720750322354 200 152 18413668019651909957 21033648 29 16515673464173292189 21267235 1 18410020948082951211 21709351 56 18335135423249931292 221490 88 18263369246769004522 23402539 116 18412822499352084988 23402655 69 18408324371750452228 23557571 272 17561089068175418441 23559900 14 18343013415425967472 335352 9 18337953377189474885 34797466 226 17489593389689608476 3545911 37 18411983541931307216 4214541 1 18411418397207237237 474 4 17749958872433239876 5104073 3 18411419518341388984 543358 83 18334861593600025442 559249 180 18337668607645813251 58051976 100 18411138047554260423 59755656 520 17167864171141367019 633830 44 17167866352546708017 67856867 119 18338231682496508752 77779 3 18410013238526815182 9709674 26 18336836376233693434 9971528 1 18334575720729869028 9981440 41 17541945724997163504 > 403.2 11.64 2.72 0.75 3.87 0.6 0.01 2.11 0.63 -1.29 0.19 -0.02 0.02 -1.53 > 868.071 > 223.7 > 2 5 10 $$$$