9971511 -OEChem-03192404343D 35 37 0 0 0 0 0 0 0999 V2000 0.2410 -2.1695 1.0936 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 2.4717 -0.6063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 3.2518 1.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 -0.0720 1.1468 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1544 0.1401 0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 -1.0160 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 0.1922 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 1.3013 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 -1.0971 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 1.4051 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -2.1663 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 0.2570 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 2.5159 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 -0.4374 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 -2.1003 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 -0.8899 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -0.6187 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 -0.6282 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 2.8057 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9024 -0.9830 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 -0.9924 -1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7767 -1.1699 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 -0.2928 2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4983 -3.1228 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 1.1896 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 -2.9933 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7593 -0.8388 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 -0.4756 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 -0.5037 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3282 2.7046 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 3.8234 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 2.1185 -1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 -1.1209 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 -1.1387 -2.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 -1.4536 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END > 9971511 > 0.6 > 4 15 19 3 17 5 10 13 12 2 16 7 11 6 18 1 14 8 9 > 32 1 -0.57 10 0.47 11 -0.15 12 -0.15 13 0.49 14 0.1 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.06 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.4 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 33 0.15 34 0.15 35 0.15 4 -0.6 5 0.11 6 0.09 7 0.09 8 0.03 9 0.47 > 3 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 6 14 17 18 20 21 22 rings 6 5 6 7 8 9 10 rings 6 6 7 11 12 15 16 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 7 > 0098273700000004 > 82.8264 > 40.617 > 104564 63 18338516327026909765 10498660 4 15574979659911377327 11578080 2 17845632799372878393 12236239 1 17988932193002250475 12553582 1 18341607114041664239 12788726 201 18338232661405693506 13009979 54 17632302323741768419 13134695 92 18271245048960242629 13140716 1 18120378915613963632 13540713 5 18118416038392711234 13583140 156 14907334131836071170 13911987 19 18041859401192342134 14576447 43 18271522099682697735 14739800 52 13696430070812093052 15210252 30 17385710396978358909 16752209 62 18188205408166174514 16945 1 18334871540812738016 17349148 13 18113898217912534466 17357779 13 18260828189482160972 17492 89 18194684757159403246 1813 80 18131641088040761789 18186145 218 17676204688935142547 19784866 140 18260829267677409123 200 152 18410575067752442966 20626108 58 17488732510365141679 20645477 70 18261957460906714859 20775438 99 17548663706846829503 21641784 216 18042423377695630452 22112679 90 17988379108261693209 221357 26 18334566950422228391 2334 1 17688328084906069600 23402539 116 18338238167870498602 23559900 14 18263369256155803248 25147074 1 18117569431503148386 2748010 2 17831598822234549464 2871803 45 18334294249557476222 3323516 105 18187926248245752227 46194498 28 17677328467302175935 463206 1 18341048617985367830 602551 16 15841549708071324479 7164475 11 18267021657314926806 7471813 234 18343579650934300920 7970288 3 18341891874795652287 > 430.16 8.83 2.98 1.22 2.24 2.44 0.16 -6.07 2.6 -0.84 -0.15 1 -0.07 -0.47 > 951.734 > 228.6 > 2 5 10 $$$$