5244346 -OEChem-04252404173D 43 46 0 0 0 0 0 0 0999 V2000 2.7205 -0.0474 -0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -1.9052 1.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.3886 2.7235 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9408 1.0547 -0.7848 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -0.1956 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 0.3830 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 -0.3943 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 0.6964 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 -0.7635 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2655 0.6162 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 1.9313 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.1215 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -1.9580 -1.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -0.6733 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 -1.2381 1.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1985 1.4623 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 2.1479 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 -2.5098 -1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.8675 -1.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -0.6674 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 0.1504 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 1.1681 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -0.1169 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 1.9282 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6014 0.6431 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1698 1.6657 1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 1.1094 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4251 0.1201 2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 2.4102 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 0.8099 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 -2.4722 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1102 1.6543 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8002 2.8194 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 -3.4396 -2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 -2.3531 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 -0.7291 -1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -1.6773 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 1.3831 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 -0.9092 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 -2.4746 2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1347 2.7248 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 0.4393 2.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9836 2.2577 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 40 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 8 27 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 10 28 1 0 0 0 0 11 17 2 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > 5244346 > 0.8 > 1 35 43 26 59 51 63 58 29 50 37 52 23 4 24 41 64 65 74 18 71 15 42 70 3 19 47 36 73 77 16 14 48 61 55 25 31 27 57 11 75 39 76 38 13 12 33 21 46 32 72 40 67 68 69 20 62 45 34 30 56 7 44 54 22 10 9 28 60 66 5 49 17 6 8 53 2 > 41 1 -0.36 10 -0.11 11 -0.18 12 -0.15 13 -0.15 14 0.08 15 0.81 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 0.42 21 -0.14 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -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 38 0.15 39 0.15 4 0.33 40 0.5 41 0.15 42 0.15 43 0.15 5 -0.05 6 -0.2 7 -0.09 8 -0.3 9 0.05 > 5 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 3 2 3 15 anion 5 4 5 6 7 8 rings 6 21 22 23 24 25 26 rings 6 4 6 10 11 16 17 rings 6 9 12 13 14 18 19 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 005005BA00000001 > 76.7928 > 45.83 > 10 15 18187368735414933652 10076449 9 16844998127170235199 10319926 262 17676779707593853550 10554248 39 17417816119824777644 12035758 1 18041860445333475681 12236239 1 16343422791950784343 12403259 118 18260834851208409564 12596602 18 17748543758287729328 12616971 3 14490196024701565318 12633257 1 17385733499242803471 12760667 363 11025795388159003580 12954195 1 11743849027964451339 13540713 4 17987818378859898054 13627175 4 13262664930169084224 13668630 136 8142089771408759272 13673619 4 9583511027972904663 13685833 64 11818997379083841836 13911987 19 17846780702138175461 13947930 73 10665814156055350257 14251764 30 7925909283695969216 14528608 73 14979956982678233484 14844126 61 17313960752322043747 14931854 50 15841833326268020160 15064981 194 16199588146342673489 15082195 135 14405179612926238746 15183329 4 13901915501156704996 15326921 28 16227430882204905117 15348495 7 17749108933034125272 15575132 122 16558476279569890537 16994733 274 18059294241647972321 17780758 139 16443343191119578964 17980427 23 18187085091537592807 1813 80 13479138947633914870 18393751 57 18410858742032003703 18643901 69 10807937085285938657 20028762 73 13479136791776545744 21033648 29 18409738339155857454 21298829 104 17847064358900867824 21304303 64 17917436393793445105 21307412 95 10879695573897276709 21859007 373 15720780313297132631 23198884 109 14908187455827482140 23559900 14 17751664064306962247 255183 451 13037177145621530629 2748736 6 18060132124804789664 2838139 119 17988352685575466940 312425 54 16877659072232581608 351380 3 13045941305028512352 3663271 9 17240482550722432216 3862424 121 11958570540571654909 4258327 124 18129941320331764748 4340502 62 17749107751670069170 465052 167 11963682096971244352 484985 159 8358268051043330295 504843 32 18272363213356991319 5080951 261 17894906382802032415 5104073 3 16733561527386706380 5364581 5 17824269412872757884 543368 44 17346876728901553981 563151 248 16009037176448933073 59682541 52 15339126710961793940 6608658 132 15841561729810964763 7970288 3 12035450545068494696 8863177 126 8574125264197835877 > 512.48 18.65 2.29 1.9 19.85 0.85 -1.18 -17.17 -2.41 0.21 0.8 -1.57 0.29 1.64 > 1142.627 > 271.6 > 2 5 10 $$$$