440279 -OEChem-09042100233D 19 18 0 1 0 0 0 0 0999 V2000 -1.1242 -1.5675 -0.1734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 1.8521 -0.3585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5703 -1.4443 -0.3801 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3283 0.5013 0.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 -0.1570 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 0.4507 -0.6013 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1300 0.0609 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3716 0.4303 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1264 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 0.2944 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -0.4024 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 1.1236 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 -0.4163 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 1.5055 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 0.2634 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2634 -0.0641 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 -1.7123 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 2.2239 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 -1.8264 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 M END > 440279 > 0.4 > 1 5 7 2 6 3 4 8 > 10 1 -0.68 17 0.4 18 0.4 19 0.5 2 -0.68 3 -0.65 4 -0.57 5 0.28 6 0.34 9 0.66 > 2 > 8 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 3 3 4 9 anion 3 5 7 8 hydrophobe > 9 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0006B7D700000001 > 13.3307 > 40.669 > 137420 1 14901085538635780505 18185500 45 18341335607678454598 21040471 1 18408887308586843711 21922407 69 17767718248368562849 24536 1 17630634368475120477 29004967 10 18334020501010542888 369184 2 18409721863661049898 5084963 1 17773589412785512558 > 161.74 2.7 1.37 1.02 0.3 0 -0.44 0.04 0.04 0.15 0.24 -0.35 -0.02 0.18 > 308.461 > 100.2 > 2 5 10 $$$$