68197421 -OEChem-03282418493D 24 24 0 1 0 0 0 0 0999 V2000 0.2836 -2.4260 -0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3596 -1.2910 -0.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 1.5349 -0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 0.6231 -0.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 1.0789 1.0366 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -1.1556 0.5153 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2204 -0.2721 0.5508 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1766 -0.5159 -0.2840 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4305 0.9158 0.1883 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1389 1.7307 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9793 -0.2229 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3812 -1.3464 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 -0.7075 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -0.5509 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9149 0.9080 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 1.9512 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 2.7103 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 1.6535 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3649 0.1563 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.2182 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -2.8158 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 -1.2724 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 2.4421 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 0.6364 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > 68197421 > 0.6 > 2 13 17 10 21 16 24 3 8 15 11 7 14 18 20 23 5 4 22 9 6 19 25 12 1 > 16 1 -0.68 10 0.27 11 0.28 18 0.36 2 -0.68 21 0.4 22 0.4 23 0.4 24 0.4 3 -0.68 4 -0.68 5 -0.9 6 0.28 7 0.27 8 0.28 9 0.28 > 2.2 > 11 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 cation 1 5 donor 6 5 6 7 8 9 10 rings > 11 > 1 > 3 > 0 > 0 > 0 > 1 > 1 > 04109C2D00000002 > 17.675 > 55.836 > 11206711 2 18410287051540346021 12423570 1 12459008700602144715 12716758 59 18411985767193702594 12897270 3 18339929216532335772 161256 15 18124873710062628161 16945 1 18050291358043630474 18185500 45 16394931333492577275 20653085 51 17605015692082649764 21040471 1 18194670480518442465 21922407 69 15719935995582731737 23552423 10 18191304866704218043 23559900 14 18272650105283707274 241688 4 17832989725248720123 2748010 2 18267853051129809257 29004967 10 16702306745609994624 5084963 1 18129946805057476131 > 197.92 3.1 2 0.86 0.72 0.53 -0.03 -0.61 0.98 -0.54 -0.07 0.2 -0.13 0.11 > 389.882 > 117.2 > 2 5 10 $$$$