6 6 0 0000 0 0 0 0 0999 V2000 3.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.6712 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2653 -1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3363 -2.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4106 -1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 M END > InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 > VIHAEDVKXSOUAT-UHFFFAOYSA-N > 1/0/N:1,2,6,3,4,5/rA:6nCCCOOC/rB:d1;s2;d3;s3;s1s5;/rC:3.0013,0,0;1.6712,0,0;1.2653,-1.2687,0;0,-1.6814,0;2.3363,-2.0498,0;3.4106,-1.2687,0; > C4 H4 O2 > 84.07336 > C1COC(=O)C=1 > 9917 $$$$