8 7 0 0000 0 0 0 0 0999 V2000 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 1 5 1 0 2 3 1 0 3 6 1 0 3 7 1 0 4 8 1 0 M END > 1 5 3 > InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3 > HDGQICNBXPAKLR-UHFFFAOYSA-N > 1/0/N:8,6,7,5,4,2,3,1/E:(2,3)/rA:26cCCCCCCCCHHHHHHHHHHHHHHHHHH/rB:s1;s2;s1;s1;s3;s3;s4;s1;s2;s2;s3;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/rC:3.7321,.25,0;4.5981,.75,0;5.4641,.25,0;2.866,.75,0;3.7321,-.75,0;6.3301,.75,0;5.4641,-.75,0;2,.25,0;4.269,-.06,0;4.9966,1.2249,0;4.1995,1.2249,0;5.4641,.87,0;3.2646,1.2249,0;2.4675,1.2249,0;4.3521,-.75,0;3.7321,-1.37,0;3.1121,-.75,0;6.6401,.2131,0;6.8671,1.06,0;6.0201,1.2869,0;4.8441,-.75,0;5.4641,-1.37,0;6.0841,-.75,0;1.69,.7869,0;1.4631,-.06,0;2.31,-.2869,0; > C8 H18 > 114.2285 > C([H])(C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] > 11027 $$$$