118193 -OEChem-03292410483D 25 25 0 0 0 0 0 0 0999 V2000 -3.2579 -0.6262 -0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 0.2607 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -0.1042 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 1.4358 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -1.0641 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 1.2210 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 -1.2791 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 0.4758 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 -0.3197 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 0.1969 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -0.0547 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 1.5682 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 2.3650 -0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 -1.9093 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 -1.0796 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 1.2371 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 2.0568 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -2.2086 0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -1.4118 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9038 1.3923 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 0.5394 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 -1.2495 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 -0.3779 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 0.5025 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -0.6488 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 M END > 118193 > 0.4 > 1 12 3 2 8 4 11 9 7 10 5 6 > 3 1 -0.68 25 0.4 8 0.28 > 2.2 > 3 1 1 acceptor 1 1 donor 6 2 3 4 5 6 7 rings > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001CDB100000001 > 8.6906 > 15.223 > 10219947 1 18413108359559047830 10857977 72 18411408505945066577 11062470 55 12973605534047649134 12032990 46 18411144627539323950 12897270 3 18410571751837048589 14128692 85 18342737450807498533 14325111 11 18410575093269019656 15310529 11 16443057279673701656 16945 1 18334576832450951048 193761 8 17689999359274809458 20201158 50 18335139778209898227 21040471 1 18266178529095627016 21293036 1 18335144206521354788 23235685 24 18410007732616151016 23402655 69 18194663888477347421 23552423 10 18044943355029783114 2748010 2 18121222244768317406 29004967 10 18408606928832126729 5084963 1 18413388734929250257 > 179.35 4.27 1.41 0.66 0.56 0.14 -0.01 -0.61 0.22 -0.09 -0.01 -0.03 0.01 -0.07 > 342.869 > 109.4 > 2 5 10 $$$$