10724 -OEChem-03292411453D 21 22 0 0 0 0 0 0 0999 V2000 -1.5834 2.1773 -0.0344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 -1.3830 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 -1.9074 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -0.0441 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3196 -0.8976 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 0.4793 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 0.9726 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 -1.3325 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 1.3998 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -0.4140 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 0.9495 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 -2.1068 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -1.2686 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 -2.1370 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 -2.8388 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 0.3451 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -0.1520 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 -2.3929 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9178 2.4687 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 -0.7626 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 1.6635 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > 10724 > 0.4 > 1 > 14 1 -0.57 10 -0.15 11 -0.15 18 0.15 19 0.15 20 0.15 21 0.15 3 0.14 4 0.06 5 -0.14 6 0.09 7 0.42 8 -0.15 9 -0.15 > 0.6 > 3 1 1 acceptor 6 2 3 4 5 6 7 rings 6 5 6 8 9 10 11 rings > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 000029E400000001 > 21.5037 > 15.245 > 11206711 2 18410294696323689628 12524768 44 18341054124122462823 12897270 3 18410574028143328724 13380535 76 18266454296335003981 16945 1 18410855486029957814 17844478 74 18189067519666240259 18185500 45 17907579485970252063 193761 8 18122626046339521543 19973954 147 18410295804567656828 20201158 50 18411415124468804303 20871998 184 18272092754912832767 21040471 1 18338797801950652004 21501502 16 18410857633418549864 2334 1 17762617695521158230 23552423 10 18188491396968961646 23559900 14 17982739572286253910 241688 4 18051407662946152307 2748010 2 18267022756414929078 5084963 1 18130786741636046466 528886 8 18339919449592075307 66348 1 18338233760790629439 > 220.51 3.58 2.07 0.63 0.61 0.23 0.01 -0.07 0.11 -0.53 -0.02 -0.03 -0.04 0.14 > 473.748 > 121.5 > 2 5 10 $$$$