* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/67/01/2007may0004.mol" Structure: 1 InChI=1/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13) AuxInfo=1/1/N:14,4,16,12,2,6,9,8,11,1,18,20,22,19/E:(12,13)/rA:22nCCHCHCHCCHCCHCHCHCOOHO/rB:d1;s2;s2;s4;d4;s6;s1;d8;s9;s9;d11;s12;s12;s14;s8d14;s16;s11;s1s6;s18;s20;d18;/rC:5.0404,1.2463,2.0295;5.8856,.2709,2.4117;5.6626,-.5083,2.9074;7.1791,.6292,1.9315;7.9825,.1332,2.0361;7.0377,1.7991,1.3061;7.7434,2.2795,.8892;3.6055,1.435,2.209;2.9224,2.4486,1.532;3.4002,3.0309,.953;1.554,2.6152,1.6951;.8444,1.7767,2.5518;-.0919,1.8893,2.666;1.5205,.7714,3.2397;1.0446,.1999,3.8308;2.8797,.603,3.0653;3.3288,-.0899,3.5351;.8756,3.6904,.9326;5.7269,2.2116,1.3498;-.4056,3.8388,1.217;-.7303,4.4936,.7713;1.4607,4.3804,.0981;