44202706 -OEChem-04192417233D 41 45 0 1 0 0 0 0 0999 V2000 -0.0795 1.3383 1.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 -0.0227 -1.9725 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0544 2.5415 -0.1231 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.9910 0.7394 -0.9105 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0276 -0.2330 -1.1228 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1086 -1.9124 -0.8877 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 1.1806 0.4707 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1067 0.3317 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 2.6386 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 3.3665 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9159 2.0055 -1.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 2.7491 2.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 0.4940 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 -0.9167 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -1.2694 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -0.3947 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 0.7585 0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 -1.7384 1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5563 -2.4356 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -2.9303 1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -1.0186 -1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 0.1345 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -3.2592 0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 -0.7540 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -1.3933 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 3.6858 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 2.1410 -2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 3.2683 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 4.4254 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 1.8302 -2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 2.6447 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8979 3.0887 2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 2.9478 3.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 -0.6081 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 1.4486 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 -1.5241 2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4468 -2.7034 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -3.6542 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 -1.7048 -2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6067 0.3515 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -4.2128 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 15 2 0 0 0 0 6 25 3 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 17 22 2 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > 44202706 > 0.6 > 1 4 2 3 > 32 1 -0.56 10 0.27 11 0.26 12 0.28 13 -0.14 15 -0.08 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.63 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.07 25 0.48 3 -0.81 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.11 40 0.15 41 0.15 5 0.72 6 -0.56 7 0.87 8 -0.33 9 0.27 > 2 > 9 1 1 acceptor 1 2 anion 1 3 cation 1 6 acceptor 5 1 3 7 10 12 rings 5 4 5 8 14 15 rings 6 13 16 17 21 22 24 rings 6 14 15 18 19 20 23 rings 6 3 4 7 8 9 11 rings > 25 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 02A27AD200000001 > 69.9441 > 46.114 > 10366900 7 18342736274466929742 10948715 1 9150910359498552005 11582403 64 15964184897654865517 121448 382 18120935010567568908 12363563 72 18271813457611167646 12506688 2 18267871772728397482 12714826 92 17967822681739351131 12788726 201 18127686024398538395 13134695 92 17916021450591660993 13135754 10 17343539680729679232 13140716 1 18271822223628473224 13533116 47 17837782488757572883 13544653 18 18202282549915062148 13631057 29 18409737253457935766 13681431 1 18121229936981222952 14022347 108 16663166498679208163 14251740 79 18265052427568089966 14790565 3 18045490929454401069 14856354 85 12247096672855855836 14863182 85 16464186951086470435 16752209 62 18042951104284262992 16945 1 18113610175398077913 17357779 13 18343298184647550454 18927931 339 17703237187843542334 20600515 1 18336559264727218340 22907989 373 18263945288262818316 23175994 123 18342739654194345099 23419403 2 18126831918754870881 23526113 38 18270381901897993265 23557571 272 18261664991225377912 23559900 14 18334850637280767748 2748010 2 17755559870806770991 3027735 51 18196935478593016242 3380486 145 17986380294975189566 463206 1 18338237192702867914 4921388 177 18267032652552478508 59755656 520 17908427956997304572 81228 2 18269568147318980280 84936 31 17551794041871867873 9709674 26 18336540633417375254 > 482.83 7.6 3.83 1.78 10.28 0.87 0.22 -7.85 -3 -2.34 1.14 -0.73 0.73 1.82 > 1081.191 > 252.3 > 2 5 10 $$$$