5 5 0 0000 0 0 0 0 0999 V2000 0.6677 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.3354 -1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4893 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6287 -1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 3 1 0 2 4 1 0 4 5 1 0 M END > InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3 > RBACIKXCRWGCBB-UHFFFAOYSA-N > 1/0/N:5,4,3,2,1/rA:5nOCCCC/rB:s1;s1s2;s2;s4;/rC:.6677,0,0;1.3354,-1.1539,0;0,-1.1539,0;2.4893,-1.8216,0;3.6287,-1.1648,0; > C4 H8 O > 72.10572 > O1CC1CC > 7546 $$$$