441 -OEChem-03112021543D 15 14 0 1 0 0 0 0 0999 V2000 -1.1912 -1.0116 -0.8852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 0.6902 -0.6257 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -0.9861 0.7245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 -0.1460 0.2479 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0285 0.8048 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 0.5867 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 0.0619 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 -0.7706 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 1.4851 1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 1.4024 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 1.2712 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6798 1.1588 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -0.1254 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 -1.6345 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 0.2013 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END > 441 > 0.4 > 1 11 3 6 10 12 5 8 9 4 2 7 > 8 1 -0.68 14 0.4 15 0.5 2 -0.65 3 -0.57 4 0.28 5 0.06 7 0.66 > 2 > 5 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 3 2 3 7 anion > 7 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 000001B900000001 > 5.1821 > 25.43 > 12932741 1 15913323632388045433 14390081 3 18410576222845730401 16714656 1 18130797749774467005 18185500 45 18411129260035289802 20096714 4 18410014363818926217 21040471 1 17917429774673237153 24536 1 17531232972384253889 29004967 10 17312828168776018609 5460574 1 10087641485700540129 > 126.45 3.13 1.02 0.8 0.46 0.1 -0.03 -0.43 -0.06 -0.01 -0.05 -0.07 0.11 -0.4 > 231.078 > 80.9 > 2 5 10 $$$$