51326485 -OEChem-05072419463D 46 49 0 0 0 0 0 0 0999 V2000 -7.2762 1.4312 1.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 -0.8684 -0.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 1.1467 -1.1057 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 -0.9120 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -0.1207 -1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -1.0897 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -0.7546 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 -1.6893 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 -0.2851 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 -1.4235 -1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 -1.0470 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8567 -0.9930 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 0.9997 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 0.2351 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -2.0177 0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0698 -0.4161 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 1.5766 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4912 0.5365 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0926 0.8688 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 -1.7139 1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 -0.4396 1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 1.8269 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 2.3809 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5913 2.7685 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -1.9155 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2847 -0.0828 -2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 0.9198 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 -0.1293 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -1.7428 1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 -0.1177 -2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 -1.7379 -2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 -1.7439 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 -2.7177 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 -2.5133 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1856 -1.0458 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8559 -1.9948 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 1.5695 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 -3.0150 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9938 -0.9725 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9067 2.5782 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 -2.4653 2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 -0.2122 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 2.1055 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 3.0741 -1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 3.7708 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1056 2.3205 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 46 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 13 37 1 0 0 0 0 14 18 2 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 M END > 51326485 > 0.8 > 1 32 6 25 23 16 22 28 18 20 11 26 31 7 30 29 13 21 8 12 14 24 17 9 4 5 3 15 2 10 27 19 > 32 1 -0.53 10 0.41 11 -0.14 12 -0.15 13 -0.15 14 0.31 15 -0.15 16 -0.15 17 -0.15 19 0.08 2 -0.81 20 -0.15 21 -0.15 22 -0.15 23 0.16 24 -0.15 3 -0.62 36 0.15 37 0.15 38 0.15 39 0.15 4 0.14 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.45 7 0.27 8 0.27 9 -0.14 > 4.2 > 7 1 1 donor 1 2 cation 1 3 acceptor 6 11 14 15 18 20 21 rings 6 2 4 5 6 7 8 rings 6 3 14 18 22 23 24 rings 6 9 12 13 16 17 19 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 030F2E1500000001 > 63.113 > 35.554 > 10319926 262 15574713569865839797 10498660 4 16128656387982367654 10554248 39 17630882712780875397 10670039 82 16845028839605915472 10674148 151 18341622573032463108 11545043 162 16371274529056483254 11724838 91 18338792420082583503 12403259 118 18270955757031828757 12422481 6 18337951169270764669 125118 31 18200317615953680113 12596602 18 18187365441675937707 12616971 3 18411130329762020391 12633257 1 17531515603371682152 12661589 4 12252486474001499745 12788726 201 17703519843319457976 12969540 114 15267337418792527415 13167372 99 18412544280134904889 13533116 47 17822291245282660498 13673619 4 17096361740645408842 13785724 45 17979354162524611146 14251751 18 7853586672880009884 14251764 75 18046070621111409284 14341114 176 17967526870557120270 14341114 328 18412263943445703839 14347332 77 9583248223240505387 14739800 52 18272082850929335888 14849402 71 18259984903636500380 15142526 21 18119245310282811632 15183329 4 17632580448844533393 15238133 3 18130782387172068394 15348495 7 17821453473725998195 15475509 35 16153976960017748098 17810953 82 18411420622496454544 18222031 100 14923947842615420455 19377110 9 18341045324204231711 19784866 240 11170178853056429718 1979834 28 15864068754174571946 20567600 234 18408889555477238093 20715895 44 18125437506278178825 20775438 99 10591747750157732684 21315764 268 18261109626247608909 21641784 216 15697729116687846563 21792934 111 17458625572185301565 22061861 79 10807939241274761857 22122407 14 18341902930098812889 221357 26 12175633879542103650 22149856 69 17417545652971150211 23559900 14 17987532411173029903 23569914 152 12099670644567826521 245318 6 17899149478786476061 268830 7 18335410292245453358 2748736 6 18058729096955888121 2838139 119 17917983958804629497 312425 54 17603588526058277603 3472631 163 16558454401122080784 34797466 226 16702308987799363517 351380 3 11530482233472851801 3680242 22 18408609132372227177 38570 142 18190194558425530892 397830 11 18115038493191020219 465052 167 12540698110783104931 474 4 18411139147145191054 5104073 3 18113904887854548035 57724786 102 18337106865190236020 7970288 3 11458962283758159232 86090 222 16009881511037254195 960060 61 10447927286905269482 9841814 1 14201402707196949526 > 478.08 16.21 2.38 1.49 18.33 1.04 0.26 7.44 -6.77 -2.93 -0.13 -0.78 -0.2 -1.96 > 1046.07 > 257.4 > 2 5 10 $$$$