12524 -OEChem-03282406313D 12 11 0 0 0 0 0 0 0999 V2000 -2.4825 -0.5087 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 0.5087 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 0.6718 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 -0.6718 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 0.5486 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -0.5486 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 1.2501 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 1.2582 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 -1.2501 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 -1.2582 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 1.5082 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 -1.5082 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > 12524 > 0.4 > 1 5 11 6 10 13 17 8 9 14 7 4 16 18 3 2 15 12 > 8 1 -0.57 11 0.06 12 0.06 2 -0.57 3 0.06 4 0.06 5 0.45 6 0.45 > 3 > 2 1 1 acceptor 1 2 acceptor > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 000030EC00000001 > 1.7793 > 10.149 > 139733 1 9223225252337375785 14390081 3 18342453733720995176 16714656 1 18201719565433188431 20096714 4 18411418397602915088 24536 1 17914323576762202992 29004967 10 18408890628654585745 5460574 1 9295288339353567233 > 111.74 3.54 0.92 0.58 0 0 0 0 0.01 0 0 0 0 -0.02 > 198.752 > 71.5 > 2 5 10 $$$$