189062 -OEChem-10012103573D 26 26 0 1 0 0 0 0 0999 V2000 -1.1613 -0.5902 0.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8081 -2.0984 -0.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -0.6382 1.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.3813 0.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 1.6735 1.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.8454 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 -0.9268 -0.3934 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1445 -1.0150 0.1268 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9610 0.2215 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 0.0949 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 1.1773 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 1.0521 -1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.4138 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -0.5922 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 0.6933 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 -1.6923 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -1.9176 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 -1.2468 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0419 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 2.0679 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 1.7680 -2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.9422 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 -2.6403 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 -1.6849 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -0.5469 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 2.5187 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 13 2 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END > 189062 > 0.6 > 1 3 17 6 9 11 15 12 13 10 7 8 14 16 5 4 2 > 24 1 -0.36 10 -0.29 11 -0.15 12 -0.15 13 0.71 14 0.09 15 0.71 16 -0.3 19 0.15 2 -0.68 20 0.15 21 0.15 22 0.4 23 0.15 24 0.15 25 0.5 26 0.5 3 -0.65 4 -0.57 5 -0.65 6 -0.57 7 0.42 8 0.42 9 -0.12 > 4.4 > 10 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 3 4 13 anion 3 5 6 15 anion 6 7 8 9 10 11 12 rings > 16 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 0002E28600000001 > 42.159 > 50.875 > 11086676 242 17313107432029266236 11132069 177 18260264157175895013 11471102 22 17168141269277175692 12138202 97 15554162665943505613 12251169 10 17968096451370444720 12382932 28 18334857212158305617 12696612 119 17967256420281469196 13296909 8 18341610460179377319 13583140 156 16916772011894019754 14178342 30 18187652418200286275 15209294 21 18340198708919685672 15375462 478 18338796835614743567 15775835 57 17775567537388526849 16945 1 18334584550496762591 18186145 218 13110969738182986834 200 152 18265602359787068823 20281407 28 16298380271210312866 20388701 513 17749947760978279613 23382010 3 12319446727779438058 23402539 116 18201993348893520981 23402655 69 11527686179524454482 23557571 272 17560814276732049727 23559900 14 18059017181190668598 25 1 13182754666185218006 2748010 2 17679569052645164158 3060560 45 14333120858435068944 4175511 318 16558746862198002688 568465 68 15285367214338090832 7364860 26 17987245438616801462 81228 2 16589703444500576157 > 294.06 6.51 1.69 1.28 1.12 0.27 -0.26 -1.01 2.73 0.12 -0.15 -0.31 -0.32 -0.51 > 615.617 > 163.4 > 2 5 10 $$$$