10 10 0 0000 0 0 0 0 0999 V2000 4.7071 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2929 1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 2 6 1 0 3 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 5 1 0 4 6 1 0 4 9 1 0 4 10 1 0 M END > InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3 > FQXGHZNSUOHCLO-UHFFFAOYSA-N > 1/0/N:7,8,9,10,5,6,3,4,1,2/E:(1,2,3,4)(5,6)(7,8)(9,10)/rA:26nOOCCCCCCCCHHHHHHHHHHHHHHHH/rB:;;;s1s3s4;s2s3s4;s3;s3;s4;s4;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s1;s2;/rC:4.7071,-1.2071,0;2.2929,1.2071,0;4,.5,0;3,-.5,0;4,-.5,0;3,.5,0;5,.5,0;4,1.5,0;2,-.5,0;3,-1.5,0;4.5728,-.2627,0;3.2373,1.0728,0;5,1.12,0;5.62,.5,0;5,-.12,0;4.62,1.5,0;4,2.12,0;3.38,1.5,0;2,.12,0;1.38,-.5,0;2,-1.12,0;2.38,-1.5,0;3,-2.12,0;3.62,-1.5,0;4.5466,-1.806,0;2.4534,1.806,0; > C8 H16 O2 > 144.2114 > O([H])C1([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])(C1(C([H])([H])[H])C([H])([H])[H])O[H] > 68858 $$$$