8 8 0 0000 0 0 0 0 0999 V2000 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 4 1 0 1 7 1 0 2 3 1 0 2 5 1 0 2 8 1 0 4 6 1 0 5 6 1 0 M END > 1 7 3 2 8 3 > InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3 > SGVUHPSBDNVHKL-UHFFFAOYSA-N > 1/0/N:7,8,6,4,5,3,1,2/E:(1,2)(4,5)(7,8)/rA:24cCCCCCCCCHHHHHHHHHHHHHHHH/rB:;s1s2;s1;s2;s4s5;s1;s2;s1;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s7;s8;s8;s8;/rC:3.7321,.5,0;2.866,-1,0;2.866,0,0;4.5981,0,0;3.7321,-1.5,0;4.5981,-1,0;3.7321,1.5,0;2,-1.5,0;4.269,.81,0;2.866,-1.62,0;2.2554,-.1077,0;2.654,.5826,0;4.8101,.5826,0;5.2087,-.1077,0;3.3335,-1.9749,0;4.1306,-1.9749,0;4.8101,-1.5826,0;5.2087,-.8923,0;4.3521,1.5,0;3.7321,2.12,0;3.1121,1.5,0;2.31,-2.0369,0;1.4631,-1.81,0;1.69,-.9631,0; > C8 H16 > 112.2126 > C1([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H] > 11076 $$$$