15665937 -OEChem-05092405373D 39 41 0 0 0 0 0 0 0999 V2000 -1.5692 1.9096 0.4193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 -2.0200 0.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7176 -0.4967 -0.1883 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 -0.0635 -0.2196 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 2.0378 0.5009 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 -0.1638 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 0.4951 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 1.1101 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 -1.1083 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 1.4395 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0287 -0.7788 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 0.8343 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1872 0.2886 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 0.6430 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6224 -1.0305 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 0.1250 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 -1.4755 -1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1185 1.2781 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9695 -1.3553 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 0.9533 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8912 -0.3634 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -2.2587 1.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 1.8722 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 -2.1127 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 2.4425 0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.5373 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9359 1.1293 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6016 -0.4566 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2845 0.1902 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.3815 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -1.3415 -2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9938 -2.4928 -0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8171 2.3120 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 -2.3788 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1835 1.7250 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9401 -0.6163 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 -2.6198 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -1.3526 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -3.0298 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 14 2 0 0 0 0 5 12 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 15 19 2 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 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 > 15665937 > 0.6 > 2 11 6 12 5 7 3 9 4 10 1 8 > 30 1 -0.02 10 -0.15 11 -0.15 12 0.46 13 0.05 14 0.43 15 0.08 16 0.37 17 0.37 18 -0.15 19 -0.15 2 -0.36 20 -0.15 21 -0.15 22 0.28 23 0.15 24 0.15 25 0.15 26 0.15 3 -0.84 33 0.15 34 0.15 35 0.15 36 0.15 4 -0.57 5 -0.41 6 0.1 7 0.05 8 -0.15 9 -0.15 > 4 > 6 1 2 acceptor 1 3 cation 3 4 5 12 cation 5 1 4 5 12 14 rings 6 13 15 18 19 20 21 rings 6 6 7 8 9 10 11 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00EF0B1100000002 > 79.1404 > 30.446 > 10 15 18200861968925089048 107951 10 17458063764192352691 10803635 8 17821720620343740327 10835480 77 18340197574605733848 10968037 39 18412544314520809061 11045977 3 18411980291004937736 11315181 36 18202566189397326985 11719270 70 18343014472584209470 11796584 16 18113899381769764970 12236239 1 16226047794949335566 12516196 113 17917990585738499312 12596602 18 15052010178068627518 12788726 201 18268706126139971737 13288520 33 18412544314874353821 13402501 40 18412826884514077391 13533116 47 14548743868230166950 13685833 64 18341615936352571291 1420 363 18202284693256697804 14251731 8 18335137579302427445 14386348 63 18341896302789902207 14617045 38 18260833687278072963 14931854 50 18260260824703753727 15183329 4 18187361008694785195 15196674 1 18340486758926583573 15375358 24 18412825806841035991 15788980 27 17822013120279999069 15880784 105 17203321264651940623 17844677 252 18412268345555716709 17857418 61 18408037395131775050 18681886 176 18410851097090417600 19489759 90 18261108565284847317 200 152 17703789210592904089 20374829 77 18409445886253118441 20645477 70 18060139825417024350 21236236 1 18059576837241985505 21267235 1 18342745112902554109 21279426 13 18265894653569866879 21623969 137 17561085795906081566 21682296 61 17488476174285844902 221490 88 18264777721570516848 2215653 11 18413384328503742895 22224240 67 16415470563456606710 23035841 295 18334293158445755600 23198884 109 15791451521956350509 23402539 116 18334571343498727092 23557571 272 18335984177391624732 23559900 14 18410849997009344048 239999 70 18343021095370506174 26918003 58 18411697694799221544 2871803 45 18409729547732127674 3004659 81 18333167271793157892 335352 9 18410853257807224845 3383291 50 18335421326760943843 3545911 37 18408885122459130405 4015057 19 18198893885491693905 4073 2 18114183090197716458 4214541 1 18410854352533391477 465052 167 17989490723386598420 4921388 177 16733272356176573115 5104073 3 17917147179295664450 5283173 99 18335978680023460917 542803 24 15791731892931358892 559249 180 18334008376550046243 59682541 35 17988912402325642490 59755656 215 18336265656905914878 59755656 520 17240479217342689523 9709674 26 18192148416025166795 > 426.07 15.77 1.96 0.93 9.94 0.28 -0.15 3.58 2.62 -1.06 -0.43 0.07 0.36 1.49 > 926.774 > 234.8 > 2 5 10 $$$$