53224533 -OEChem-03192401403D 38 40 0 0 0 0 0 0 0999 V2000 1.8827 -0.2654 0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 2.6516 0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 2.1622 0.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 -1.6631 -0.9618 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 -0.6665 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -0.5321 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 -0.5273 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -0.3971 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -0.4199 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8109 -1.0663 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2576 -0.0573 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 0.6594 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 -0.9270 1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 -1.1967 2.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 -1.0365 -0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 1.2588 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7942 0.6923 -1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1986 -0.4511 -1.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 -1.5929 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 -0.6994 -1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 1.5958 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 1.8618 0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5362 0.6168 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 -0.0854 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 -1.4592 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9759 0.2433 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 -1.2803 2.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -1.0519 2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 -1.5086 3.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 -2.0649 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 2.0313 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 1.5958 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0894 -0.4482 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -2.5109 -2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6011 -1.4615 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 2.6206 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 0.8793 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9915 3.4589 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 22 1 0 0 0 0 2 38 1 0 0 0 0 3 22 2 0 0 0 0 4 6 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > 53224533 > 0.8 > 1 20 14 33 45 18 65 16 54 43 30 74 9 56 3 27 47 57 59 24 55 42 12 13 41 28 6 76 66 37 40 48 62 23 46 68 75 21 63 69 60 70 50 44 34 32 61 51 10 67 53 19 39 29 58 4 35 38 36 25 64 26 49 22 17 7 11 71 8 73 72 15 52 5 2 31 > 35 1 -0.36 10 -0.15 11 -0.14 12 0.09 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.16 2 -0.65 20 -0.15 21 -0.15 22 0.63 23 -0.15 24 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.5 4 -0.62 6 0.31 7 0.08 8 -0.15 9 0.42 > 5 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 2 3 22 anion 6 11 15 16 20 21 23 rings 6 4 6 12 17 18 19 rings 6 5 7 8 10 13 14 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032C245500000001 > 82.1077 > 40.656 > 10 15 14201403785059374630 10014705 185 16805603702586850874 10165383 225 17274269327910999337 105312 117 16732700562453212578 10595046 47 18342173380147285518 10871710 139 18042399145690904693 11089746 13 18333728027492953792 12166972 35 17060339660533036568 12236239 1 18187353299887761391 12390115 104 17313395525550502466 12596602 18 12107789610141269340 12760667 363 14908184165687530126 13631057 29 17168989049199771963 13668630 136 16200157603725391076 13673619 4 16916779756221019647 13782708 43 16271345522678249455 13862211 1 14476957908597046950 14528608 73 18410853283218091974 15183329 4 18342739594444643782 15348495 7 11963394055174239420 15575132 122 17968934180906089997 16994733 274 16154250734466665941 17857418 61 11527946725610834636 17870717 6 17632573860079630415 1813 80 12966851294321461144 18222031 100 14333406770482183498 193927 3 14764351561122307946 20281389 69 16298386885871346980 204376 136 16515681122100006819 21756936 100 18188218606764420009 22061861 79 16559031584581485108 22393880 68 17917988356782341298 2297311 6 18131626816518668815 23198884 109 18411138026037264814 23516275 100 18122612019442063568 23522609 53 13109576773363865538 23559900 14 17488445520639632947 255183 451 17697018603696592663 2767999 5 16732974345427988622 283562 15 16878513474145389899 2838139 119 18114178601746083432 314173 85 12823296801499717594 34797466 226 17702937158022517616 351380 3 13614524073619552012 3610482 184 18268730349671364932 484985 159 15698005141546476895 497634 4 17275112746716249961 5104073 3 16660363710427488176 531348 171 18129949970570030590 5364581 5 12324827746196919518 543368 44 18113899381178784572 59682541 52 18339071593474015862 59755656 520 17822020778444182339 633830 44 17968658190185676890 7970288 3 14261343686948596317 > 450.74 15.41 1.97 1.85 18.54 1.18 -0.06 -10.23 4 -0.37 -0.65 -2.34 -0.68 -0.12 > 990.087 > 241.7 > 2 5 10 $$$$