7 7 0 0000 0 0 0 0 0999 V2000 0.4801 -2.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9770 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8536 -2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.7593 -2.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 M END > InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2 > ZXIJMRYMVAMXQP-UHFFFAOYSA-N > 1/0/N:1,2,7,3,6,4,5/E:(1,2)(3,4)(5,6)/rA:7nCCCCCCC/rB:d1;s2;s3;s4;s5;s1s6;/rC:.4801,-2.5912,0;0,-1.3538,0;.665,-.2028,0;1.977,0,0;2.955,-.9125,0;2.8536,-2.2334,0;1.7593,-2.9819,0; > C7 H12 > 96.17018 > C1CCCCCC=1 > 11857 $$$$