16211938 -OEChem-03292401493D 12 11 0 0 0 0 0 0 0999 V2000 2.3890 -0.0514 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -0.0526 -0.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -0.8915 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 -1.1708 0.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 1.1897 -0.1324 C 2 0 0 0 0 0 0 0 0 0 0 0 -0.7312 1.1518 0.0469 C 2 0 0 0 0 0 0 0 0 0 0 0 1.4411 -0.0192 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 -0.1559 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 2.1434 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 2.0574 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 -0.8595 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 -0.8988 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M ISO 2 5 14 6 14 M END > 16211938 > 0.4 > 2 1 3 4 > 12 1 -0.65 10 0.15 11 0.5 12 0.5 2 -0.65 3 -0.57 4 -0.57 5 -0.14 6 -0.14 7 0.71 8 0.71 9 0.15 > 2 > 6 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 1 3 7 anion 3 2 4 8 anion > 8 > 0 > 0 > 1 > 0 > 2 > 1 > 1 > 00F75FE200000002 > 20.8212 > 30.565 > 15310529 11 16081382872386702677 18185500 45 17822008709522549250 21040471 1 17759247292860778804 24536 1 18269573735013143625 29004967 10 18131635590408847489 > 141.16 2.88 1.19 0.81 0.38 0.16 0.04 -0.41 -0.1 0.05 0 -0.23 -0.14 0.17 > 275.367 > 84.3 > 2 5 10 $$$$