12 11 0 0000 0 0 0 0 0999 V2000 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 2 4 1 0 3 7 1 0 4 6 1 0 5 9 1 0 6 8 1 0 7 11 1 0 8 10 1 0 10 12 1 0 M END > 1 2 3 > InChI=1S/C12H26/c1-4-7-8-9-11-12(6-3)10-5-2/h12H,4-11H2,1-3H3 > IGTKVLJTIZALGL-UHFFFAOYSA-N > 1/0/N:12,11,9,10,7,5,8,6,4,3,2,1/rA:38cCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s4;s3;s6;s5;s8;s7;s10;s1;s2;s2;s3;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s11;s11;s12;s12;s12;/rC:4.5981,.5,0;5.4641,1,0;3.7321,1,0;6.3301,.5,0;4.5981,-.5,0;7.1962,1,0;2.866,.5,0;8.0622,.5,0;3.7321,-1,0;8.9282,1,0;2,1,0;9.7942,.5,0;4.5981,1.12,0;5.0656,1.4749,0;5.8626,1.4749,0;3.3335,1.4749,0;4.1306,1.4749,0;6.7287,.0251,0;5.9316,.0251,0;4.8101,-1.0826,0;5.2087,-.3923,0;6.7976,1.4749,0;7.5947,1.4749,0;3.2646,.0251,0;2.4675,.0251,0;8.4607,.0251,0;7.6636,.0251,0;4.0421,-1.5369,0;3.1951,-1.31,0;3.4221,-.4631,0;8.5297,1.4749,0;9.3267,1.4749,0;2.31,1.5369,0;1.4631,1.31,0;1.69,.4631,0;10.3312,.19,0;9.4842,-.0369,0;10.1042,1.0369,0; > C12 H26 > 170.3348 > C([H])(C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > 452929 $$$$