11605 -OEChem-03282410532D 14 14 0 0 0 0 0 0 0999 V2000 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 2 0 0 0 0 3 11 1 0 0 0 0 4 6 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 M END > 11605 > 1 > 66 > 0 > 0 > 0 > AAADccBgAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAgAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > cyclohexa-1,3-diene > cyclohexa-1,3-diene > cyclohexa-1,3-diene > cyclohexa-1,3-diene > cyclohexa-1,3-diene > cyclohexa-1,3-diene > InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2 > MGNZXYYWBUKAII-UHFFFAOYSA-N > 2.5 > 80.062600255 > C6H8 > 80.13 > C1CC=CC=C1 > C1CC=CC=C1 > 0 > 80.062600255 > 0 > 6 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 $$$$