71188 -OEChem-05052401383D 48 51 0 0 0 0 0 0 0999 V2000 -1.4686 2.9628 0.3522 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 2.4136 0.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8178 1.2107 0.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1647 -0.5501 -0.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0384 -1.3365 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 0.4281 -0.0273 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3144 -0.1140 -0.3189 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 -2.7257 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 -3.8312 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -3.3689 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 -0.2605 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 -1.0857 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0751 -0.8536 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1297 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 1.0486 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.6389 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 -0.4427 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5543 -0.7049 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7793 1.2151 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 0.1128 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 1.2900 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 1.9219 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 2.1314 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -0.0270 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3293 -1.3970 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 0.1941 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 -2.9545 -1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -3.5992 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 -4.7940 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 -4.0226 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 -2.8559 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9987 -1.9781 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 -1.2143 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 -1.6067 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 0.5886 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 2.1471 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 -1.4213 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -1.7116 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -0.0931 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 1.8919 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3425 1.6564 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 3.1403 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9051 0.6167 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2758 0.4214 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0639 -2.1067 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0289 -1.8144 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4226 -1.3239 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 1.2974 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 26 1 0 0 0 0 3 48 1 0 0 0 0 4 26 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 20 2 0 0 0 0 12 32 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 21 1 0 0 0 0 15 23 2 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 M END > 71188 > 0.8 > 1 7 3 12 8 10 2 9 4 11 5 6 > 34 1 -0.19 10 -0.2 11 0.1 12 -0.05 13 0.37 14 0.37 15 0.09 16 0.1 17 -0.15 18 0.27 19 0.27 2 -0.57 20 0.03 21 0.47 22 0.19 23 -0.15 24 0.27 26 0.71 27 0.1 28 0.1 29 0.1 3 -0.65 30 0.1 31 0.1 32 0.15 37 0.15 4 -0.57 42 0.15 48 0.5 5 -0.37 6 -0.84 7 -0.81 8 0.07 9 -0.2 > 5.8 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 7 cation 3 3 4 26 anion 6 11 15 16 17 22 23 rings 6 5 11 12 15 20 21 rings 6 6 7 13 14 18 19 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001161400000001 > 81.5509 > 50.836 > 10 15 18335694001517982608 10050765 1 18123188996018655748 10090160 65 18408036321052250038 10411042 1 17979073778617351646 10835480 77 18262791870796311989 10906281 52 18189355535609240736 1100329 8 18340204223572985674 11421498 54 16988571151747783546 11578080 2 17170950345276271638 11719270 70 18409443683183192338 11963148 33 18334006224925444995 12107183 9 17694229868350634233 12236239 1 17275105037529456741 12516196 113 18343864429120599001 12596602 18 17275106158869284443 12730499 353 18408887334356913667 12838862 33 18339906191006771032 13073987 5 18339929208675513809 13140716 1 18268989971848562200 13402501 40 18334860545506861579 13836976 161 18333736831727537414 14617045 38 18409733958763968943 14790565 3 18411142467403239924 15537594 2 18130781253200820031 16728300 4 17534592977784126098 17492 89 18123186805765092159 18681886 176 18335137626932650680 19591789 44 18267021850345965802 200 152 18131348592225870729 20028762 73 18273214235483288646 20567600 347 18040997310998476882 20645477 70 18409728431077735847 21033650 10 15793426111426942293 21197605 99 18267871773235793395 21267235 1 18342182158696623388 21285901 2 17821726105423016799 21344244 181 17703241650151513726 21421861 104 18190178971086886683 21521721 280 18271246122569918960 21623969 137 18409173229329725723 22224240 67 18342171215293825250 22956985 138 17754160995822753218 23557571 272 17385721362108557741 23559900 14 17977935791954398779 23569914 152 16619546225946130989 23569917 315 18337677413163142182 239999 70 18273220772333530598 25222932 49 18271520988014285903 2871803 45 18340208496891345998 3004659 81 18186519925196721689 3178227 256 18411986891989954792 335352 9 18411704305624244078 33824 294 18410292488847993338 34934 24 18342171150901334543 350125 39 18410576202014608548 3545911 37 18408885144361195789 4073 2 18261961838533450571 4340502 62 18410855473124171486 46194498 28 17821730559030225157 463206 1 18268988851289775231 474229 33 18410012143811516018 484989 97 18336838605427163202 5104073 3 18198619934664410976 5486654 2 18410862087695456766 58260988 647 16701199482262991790 59755656 215 18407762525350840663 9709674 26 18265054635223497639 > 495.24 14.44 3.28 0.77 14.16 2.4 -0.03 0.63 -0.05 -2.16 0.41 0.17 0 0.88 > 1067.275 > 273.9 > 2 5 10 $$$$