* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/70/01/2007may0011.mol"
Structure: 1
InChI=1/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
AuxInfo=1/1/N:6,3,5,2,1,10,11,12,13/E:(7,8)/rA:14nCCCHCCHHHNOOOH/rB:s1;d2;s3;s3;s5;s6;s6;s6;d5;s1;d1;s2s10;s11;/rC:6.2414,8.375,1.5035;5.4538,7.1151,1.5344;4.1383,6.8262,1.565;3.4078,7.4332,1.5474;4.0915,5.4057,1.6297;2.9002,4.5123,1.6975;3.1945,3.5812,1.7811;2.3682,4.6146,.8809;2.3548,4.7535,2.4752;5.3031,4.9034,1.6356;5.454,9.4313,1.4505;7.4504,8.3908,1.5318;6.1983,5.9821,1.5722;5.9392,10.1625,1.4509;