3163285 -OEChem-03282405413D 32 34 0 0 0 0 0 0 0999 V2000 -0.3393 2.4118 -0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.6318 -0.5546 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.8314 0.1917 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 0.6788 2.4467 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 -0.0250 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 0.1695 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 0.5550 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 -0.6674 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 0.2277 1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 -0.4698 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 -0.6623 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4412 1.5217 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 0.0349 1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2989 -0.4100 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0426 0.7084 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 -1.7504 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 -1.1381 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -0.3782 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3193 -1.6069 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -0.6679 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 2.5158 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0682 0.2273 2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -0.5580 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 1.6621 -0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.7139 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 -2.2322 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4861 -0.7761 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 -0.7700 -2.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -0.2685 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.4537 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 0.8214 2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 0.8561 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 16 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 3163285 > 0.6 > 1 5 4 3 2 > 29 1 -0.57 10 -0.15 11 -0.14 12 0.63 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.14 18 -0.15 19 -0.15 2 -0.55 20 0.15 21 0.37 22 0.15 23 0.15 24 0.15 25 0.15 29 0.15 3 -0.63 30 0.15 31 0.4 32 0.4 4 -0.9 5 0.09 6 0.36 7 0.12 8 0.18 9 0.1 > 1 > 8 1 1 acceptor 1 2 donor 1 3 acceptor 1 4 cation 1 4 donor 6 2 3 6 7 8 12 rings 6 5 9 10 11 13 14 rings 6 7 8 15 16 18 19 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 0030449500000001 > 70.0668 > 40.627 > 10062212 137 18059859480523166203 11046707 91 17632290194622080359 11471102 20 18259704523485696460 11578080 2 17915150530077449841 12236239 1 18202849863750499923 12553582 1 18335709325517844830 12596602 18 17561077029888392634 12633257 1 16200159798105772995 13134695 92 18334013925442454524 13140716 1 18118127102968214776 13544653 18 18187086126756429726 13760787 5 18334019401868108940 14289901 80 16702030768128294674 14386348 63 17386012779454373874 14576447 43 18269263719968520334 15099037 37 15339116870922342047 15375358 24 17530683234098271304 16945 1 18260839215269864604 17349148 13 18202567306104745575 17357779 13 18040147409694606292 17862501 102 17846498136208090518 1813 80 18339659853437188324 18186145 218 16732980916669935357 18222031 100 18342731910600568542 200 152 18411134736271566467 20279233 1 17168148940109891522 20645477 70 18041000656883170098 21065201 7 16271659909440664126 21069387 34 18411699928419683487 21267235 1 18335148561882326550 21728266 224 17274814762317867735 221357 26 18041542699305008597 22646028 1 18202562882177524326 22646028 28 18272369775918695591 23175994 123 17676213472143418917 23402539 116 18409446959973888867 23559900 14 16298380232967200466 26918003 58 17530685407457283202 2871803 45 18040995103664503710 3286 77 17704061902804521866 474 4 18055627576195615728 5104073 3 18190173491568505648 573450 72 17632860815207698635 602551 16 16200146638136041518 77492 1 18131078159820697889 > 370.2 9.51 1.63 1.47 1.88 0.27 0.35 -3.9 -0.81 0.67 -0.37 -1.81 0.17 -1.58 > 818.746 > 197.4 > 2 5 10 $$$$