15945679 -OEChem-04262407333D 43 46 0 1 0 0 0 0 0999 V2000 0.6523 -0.0018 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 0.0019 -0.9316 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 -2.7242 1.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 2.7724 1.1472 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -1.1440 -0.0636 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8836 1.1515 -0.0702 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4267 -0.7562 1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 0.7738 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 -1.2643 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 1.2668 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.0000 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6293 0.0028 -1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7306 -2.4374 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 2.4373 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 -2.6147 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 2.6095 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -2.6545 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 2.5960 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -2.8220 -1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 2.7641 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 -2.8858 1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 2.9330 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 -2.9407 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 2.9364 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3319 -2.0800 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3245 2.0869 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -1.1215 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -1.1551 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 1.1763 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4494 1.1425 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3432 0.0060 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 -0.8771 -1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8324 0.8801 -1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -3.3650 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 3.3668 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9209 -2.5601 -2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 2.4608 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -2.8593 -2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 2.7604 -2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 -2.9726 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 3.0629 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -3.0713 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 3.0687 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 15 1 0 0 0 0 3 21 2 0 0 0 0 4 16 1 0 0 0 0 4 22 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 20 24 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > 15945679 > 0.6 > 1 5 6 2 3 4 > 32 1 -0.57 10 -0.12 11 0.54 12 0.27 13 -0.18 14 -0.18 15 0.34 16 0.34 17 -0.15 18 -0.15 19 -0.15 2 -0.81 20 -0.15 21 0.16 22 0.16 23 -0.15 24 -0.15 3 -0.62 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.62 40 0.15 41 0.15 42 0.15 43 0.15 5 0.41 6 0.41 9 -0.12 > 2.6 > 7 1 1 acceptor 1 2 cation 1 3 acceptor 1 4 acceptor 6 3 15 17 19 21 23 rings 6 4 16 18 20 22 24 rings 8 2 5 6 7 8 9 10 11 rings > 24 > 0 > 2 > 2 > 0 > 0 > 1 > 1 > 00F34FCF00000001 > 83.4137 > 35.524 > 10006869 2 16680075406834621441 107951 10 17242737730437684416 1100329 8 17979924804569001513 11578080 2 17531519889221614575 12156800 1 12717895418185716168 12160290 23 17112699185467196319 12422481 6 18194654052938260896 12553582 1 18049731719663332467 12592029 89 18191585465945112667 12788726 201 17399236343782172312 13140716 1 18266745868647881074 13149001 5 17756966936126268613 133893 2 18410577279818687177 13681431 1 18339080376164612375 14081887 123 17546717158832006786 14142880 1 17407682813982725641 14790565 3 16827280235164006800 14955137 171 17910422510039941771 15006816 218 18410856607190501884 15309172 13 18120940770045282225 15403338 16 17170920740409773706 15420108 30 17624164949828225547 16120349 306 17977918483832204848 16752209 62 17617079748041583841 167882 2 18336532885459877885 1813 80 18126568920917436399 19591789 44 18050014590324864906 20028762 73 17262173926294891911 20510252 161 17329431644801022459 20905425 154 18340497659986312324 21344244 246 18269260421444271175 22182313 1 18040718104365391039 22956985 138 18114186379700307402 23366157 5 18260270745808584293 23419403 2 17825639232313660638 23557571 272 17620474610720939382 23559900 14 18340470189433424555 23728640 28 17618218855262986442 25147074 1 18131917040607544281 3027735 51 17836078253775568415 3178227 256 16535109845120535195 3187 122 17830988283948569418 3298306 158 18337387274286849212 352729 6 17687754152278160559 43471831 8 18194405708711588033 469060 322 17761797073331664026 532947 4 18411131450531933892 58807428 26 18123477342974526585 59755656 215 18121787394246589535 6287921 2 18131628954895748658 7364860 26 18413108363753723372 81228 2 17547016221367199451 9925002 15 17844215571538773294 > 473.1 6.5 5.28 1.33 3.83 0.01 0.01 -0.02 -0.4 -7.27 0.06 0.02 0 0 > 1046.279 > 252.3 > 2 5 10 $$$$