7 8 0 0000 0 0 0 0 0999 V2000 3.7071 -0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7154 -0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7154 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8556 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 2 6 1 0 3 4 1 0 4 7 2 0 5 6 2 0 M END > 1 3 3 2 6 3 > InChI=1S/C7H8/c1-5-4-6-2-3-7(5)6/h2-3,6-7H,1,4H2 > QPKRDQSHPVHXQQ-UHFFFAOYSA-N > 1/0/N:7,5,6,3,4,1,2/rA:15cCCCCCCCHHHHHHHH/rB:s1;s1;s2s3;s1;s2d5;d4;s1;s2;s3;s3;s5;s6;s7;s7;/rC:3.7071,-.8515,0;3.7071,.1485,0;2.7071,-.8515,0;2.7071,.1485,0;4.7154,-.8556,0;4.7154,.1527,0;2,.8556,0;3.7058,-1.4715,0;3.7058,.7685,0;2.0871,-.8515,0;2.7071,-1.4715,0;5.1529,-1.2949,0;5.1529,.592,0;2.1605,1.4545,0;1.4011,.6952,0; > C7 H8 > 92.13842 > C12([H])C([H])=C([H])C1([H])C(=C([H])[H])C2([H])[H] > 127230 $$$$