15521626 -OEChem-12282221333D 27 28 0 1 0 0 0 0 0999 V2000 1.3950 -0.9529 -0.3716 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.0647 -0.1192 1.0645 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 0.0685 0.4238 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2376 1.4850 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 -0.9473 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8371 0.0972 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 1.5300 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 0.4137 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 -2.3096 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3404 0.3552 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 -0.1318 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7174 0.3763 -1.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 0.1350 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -0.1490 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 2.1687 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 1.8923 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 -1.5232 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 -1.4414 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 2.4981 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 0.4803 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1549 -2.4038 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -2.6027 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -3.0378 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 0.5315 -1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 -0.3389 2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 0.5727 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 0.1394 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > 15521626 > 0.6 > 1 3 8 5 4 2 7 6 > 19 1 -0.81 10 -0.15 11 0.16 12 -0.15 13 0.16 19 0.15 2 -0.62 20 0.15 24 0.15 25 0.15 26 0.15 27 0.15 3 0.41 4 0.14 5 0.41 6 -0.14 7 -0.29 8 -0.29 9 0.27 > 1.8 > 4 1 1 cation 1 2 acceptor 6 1 3 4 5 7 8 rings 6 2 6 10 11 12 13 rings > 13 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 00ECD75A00000001 > 30.5102 > 20.297 > 10219947 1 18410575089274667752 10608611 8 18113612382974585445 107287 299 18334300872296690006 11031198 65 18409168822292295020 11471102 20 18411416193926113132 124424 183 17676757704639718760 12932764 1 17967249797320748274 13538477 17 17131825486964879079 13581323 91 15574712504054651625 13839132 238 17241311465908187653 14144814 61 17275105028723198849 14251717 144 18341890788009689734 14993402 34 17275102834037245141 15219456 202 18186238420202342433 15279307 12 17704068499552873247 15309172 13 18410577322451894458 15775835 57 18272649094948326924 16945 1 18412825763738297718 17844478 74 18113343002731093229 18175812 5 17967253121630534663 18186145 218 18273217525491033772 19049666 15 17824255999615279229 19422 9 17418096511594146359 200 152 18201430389996749997 20201158 50 18260829263229246579 20279233 1 17967812747516652123 204376 136 18267581485011792216 20645464 45 17749106690855208473 20645476 183 17489582377287681237 20645477 70 18341041909530950463 21499 59 18270678787512728412 21639500 275 18270672177347297056 21730867 7 18335422365593473606 22802520 49 17970903362906872837 23402539 116 17168413943966123759 23557571 272 17458632211508031759 23559900 14 17023179380328904682 23728640 28 15239198309024766707 25 1 18409445864809865532 2748010 2 18195536006891924890 474 4 17415823941672507352 528886 8 18342172297630806528 53748568 43 17632297873822950653 57812782 119 17749103396235425752 63268167 104 18273492386065036800 77492 1 17489869332109846073 8030462 33 17346310501449911059 8272917 22 18129389198576231439 > 257.57 5.73 1.56 1.05 0.79 0.6 0 -0.87 -0.12 -1.34 -0.1 0.87 -0.04 0.32 > 537.174 > 145.1 > 2 5 10 $$$$