* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/77/01/2007may0020.mol"
Structure: 1
InChI=1/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
AuxInfo=1/1/N:7,5,3,2,1,9,10,11/E:(6,7)/rA:12nCCCHCHCHOOOH/rB:s1;d2;s3;;s5;s2d5;s7;s1;d1;s3s5;s9;/rC:1.1346,5.1354,1.0765;.0753,4.5573,1.9028;-.2764,3.2515,1.9648;.1436,2.5536,1.4758;-1.6134,4.3263,3.3318;-2.2939,4.5009,3.9713;-.8099,5.2582,2.7966;-.8225,6.1918,2.9719;1.812,4.2415,.3856;1.3576,6.3461,1.0415;-1.3132,3.0791,2.8237;2.4388,4.614,-.1001;