26934 -OEChem-03282406513D 24 24 0 1 0 0 0 0 0999 V2000 1.4631 -0.7792 -1.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 0.6147 0.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 0.3433 -0.6681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0500 0.4124 0.5603 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3482 0.1874 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 -0.8631 1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 -1.0839 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 1.3193 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 -1.2278 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.1752 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 -0.0983 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 1.2391 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 1.2612 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -0.8120 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -0.9946 1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.7599 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 -1.9821 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 2.3144 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 1.4567 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 -0.1551 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 -0.7225 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -2.2192 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 2.0547 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0719 -0.2103 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 M END > 26934 > 0.4 > 3 1 2 4 5 > 18 1 -0.68 10 -0.15 11 -0.15 17 0.15 18 0.15 19 0.36 2 -0.99 20 0.36 21 0.4 22 0.15 23 0.15 24 0.15 3 0.42 4 0.27 5 -0.14 7 -0.15 8 -0.15 9 -0.15 > 2 > 5 1 1 acceptor 1 1 donor 1 2 cation 1 2 donor 6 5 7 8 9 10 11 rings > 11 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 0000693600000003 > 23.7938 > 25.374 > 10857977 72 18272651285587233041 11031198 65 16702308948786013588 12897270 3 9583511049030912328 12932764 1 17967534545088938148 13839132 238 18129948858020467805 15076042 46 18264478486450278768 15219456 202 17989214711265455078 15775835 57 18261111842065397513 16945 1 18131069359401085861 20201158 50 17917713500075719309 20645464 45 18131072614796333743 20653085 51 13686295811545134555 20871998 184 18129102393223619559 21040471 1 18193566575365885045 22445834 79 17967806111570738098 23235685 24 17775564238822151000 23402539 116 18271512166098081805 23552423 10 17896888866078868837 2748010 2 18122358886841931343 3248919 1 18059571356478177873 369184 2 18260821596955222817 5084963 1 18058746705682802965 75552 356 18335982064161660915 > 215.52 4.63 1.33 1.04 0.89 0.03 0.09 -0.26 -0.93 -0.51 -0.09 0.6 0.22 -0.22 > 438.886 > 125.7 > 2 5 10 $$$$