68407280 -OEChem-03192404293D 30 32 0 0 0 0 0 0 0999 V2000 5.0025 -2.3449 0.2528 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1171 2.0575 -0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 2.1294 -0.1701 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 -0.9254 -2.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 -0.1049 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 0.0719 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 1.1749 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 1.5346 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 -0.8557 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -1.2081 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1255 -0.6098 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 1.4030 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 -0.9997 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 0.2933 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -0.6475 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -0.3334 1.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 -0.4086 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -0.0944 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8723 -0.1321 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 3.1207 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 -1.9024 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -2.2038 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 2.3991 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 0.4426 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 -0.3001 2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8569 -0.4346 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 0.1211 2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9417 0.0540 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -0.9471 -3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -1.1080 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 8 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 3 0 0 0 7 12 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END > 68407280 > 0.6 > 1 2 > 30 1 -0.18 10 -0.15 11 0.03 12 -0.15 13 0.18 14 -0.15 15 0.1 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 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 0.15 29 0.4 3 -0.55 30 0.4 4 -0.9 5 0.03 6 -0.01 7 0.12 8 0.62 9 -0.18 > 1.2 > 7 1 2 acceptor 1 3 donor 1 4 cation 1 4 donor 5 3 5 6 7 8 rings 6 11 15 16 17 18 19 rings 6 5 7 10 12 13 14 rings > 19 > 0 > 0 > 0 > 1 > 0 > 1 > 10 > 0413CFF000000001 > 74.4802 > 35.61 > 10062212 137 17917708045762964647 11471102 20 18335138726027118280 11578080 2 17701509936100884521 11796584 16 16588015793463682666 12186901 62 15864063261365242679 12236239 1 18060421326728040811 12553582 1 18410289177850383234 12633257 1 16487265378125328947 12670546 56 17775283880410395457 12760667 363 18263924341771210130 13134695 92 18411979195593598628 13140716 1 17977386363143620512 13544653 18 18407760326659511188 13675066 3 17968380142655820793 13760787 5 18410013247317222966 14386348 63 17821730558665922331 14739800 52 16629950161998539408 15196674 1 18408605829326046424 15653759 3 16805600412768314217 16945 1 18336826515183687724 16988056 13 12409157839927081887 17349148 13 17632296804529243695 1813 80 18340500979874602452 18186145 218 17313099756832732080 193927 3 18261962830291334402 19784866 140 17968376737005484554 200 152 18342735208660548664 20281475 54 18342735247505281758 20645477 70 18333728018444479466 21267235 1 18337117778586012402 21279426 13 18115865200842875069 212916 134 16128665106823929427 21728266 224 16630231580961462895 22094290 60 15357693106767247383 2297311 6 15936416619730865151 23175994 123 18040157318621923253 23184049 59 18341337755167370759 23402539 116 18341889680002955911 23557571 272 14620532124399314753 23559900 14 18040719177933180842 25147074 1 18338532833050633808 26918003 58 18040154037018781594 2871803 45 18113617855189844106 312423 11 18263658294332330924 345986 75 18200307694104135346 34934 24 18339357595456454168 474 4 17912355734680797728 5104073 3 18343024414673468467 5281201 14 17458345243109952894 573450 72 17275102834148053771 7064713 232 17203325581184010478 77492 1 17917716850508841403 > 377.05 10.21 1.87 1.15 0.83 0.4 -0.21 -3.85 0.77 2.3 -0.06 -1.62 -0.3 -0.43 > 829.768 > 204.9 > 2 5 10 $$$$