7 6 0 0001 0 0 0 0 0999 V2000 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 3.7321 0.2500 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 3.7321 -0.7500 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 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 3 5 1 0 3 6 2 3 6 7 1 0 M END > 3 6 1 > InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3 > JZMUUSXQSKCZNO-UHFFFAOYSA-N > 1/0/N:4,7,5,2,6,1,3/rA:21nCCCCCCCHHHHHHHHHHHHHH/rB:s1;s1;s2;s3;w3;s6;s1;s1;s2;s2;s4;s4;s4;s5;s5;s5;s6;s7;s7;s7;/rC:4.5981,.75,0;5.4641,.25,0;3.7321,.25,0;6.3301,.75,0;3.7321,-.75,0;2.866,.75,0;2,.25,0;4.1995,1.2249,0;4.9966,1.2249,0;5.8626,-.2249,0;5.0656,-.2249,0;6.6401,.2131,0;6.8671,1.06,0;6.0201,1.2869,0;3.1121,-.75,0;3.7321,-1.37,0;4.3521,-.75,0;2.866,1.37,0;1.69,.7869,0;1.4631,-.06,0;2.31,-.2869,0; > C7 H14 > 98.18607 > C([H])([H])(C(=C([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H] > 23717 $$$$