* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/71/01/2007may0012.mol"
Structure: 1
InChI=1/C8H5NO3/c10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-5H
AuxInfo=1/0/N:10,12,8,5,1,3,7,4,14,15,17,16/rA:17nCHCCCHCCHCHCHNOOO/rB:s1;s1;;s3d4;s5;s4;;s8;d8;s10;d7s10;s12;d3;d1;s4s14;s7s8;/rC:3.3782,3.3832,13.0091;3.385,4.3327,12.98;4.1628,2.6296,12.0106;5.1418,1.1003,10.8162;4.3033,1.2332,11.8749;3.9056,.5484,12.3997;5.685,-.0635,10.1704;6.8061,-1.1451,8.6341;7.3438,-1.3328,7.8738;6.2873,-2.0784,9.453;6.3897,-3.0198,9.3767;5.5561,-1.3822,10.455;5.0739,-1.7648,11.1786;4.8519,3.3039,11.1134;2.726,2.8254,13.8645;5.4873,2.3278,10.3344;6.452,.1161,9.0478;