* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/40/01/2008lsh050.mol" Structure: 1 InChI=1/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10) AuxInfo=1/1/N:13,2,9,4,7,11,1,6,17,18,19/E:(2,3)(4,5)/rA:20nCCHCHCCHCHCHCHHHNOOH/rB:s1;s2;d2;s4;s4;d6;s7;d1s7;s9;;s11;;s13;s13;s13;s1s11;d11;s6s13;s17;/rC:6.0932,2.3141,1.0151;5.7698,3.1401,2.0922;5.1748,2.8337,2.7665;6.3199,4.4089,2.1741;6.1076,4.966,2.9137;7.1791,4.8759,1.1861;7.4792,4.0732,.0892;8.046,4.3953,-.6017;6.9383,2.7928,.0174;7.149,2.2369,-.7236;5.1991,.1818,1.8674;4.9022,-.6854,1.618;8.3703,6.7426,.2937;9.1941,6.2464,.1052;8.592,7.6703,.5185;7.7916,6.7274,-.4971;5.5559,1.0067,.8771;5.2186,.4384,3.0696;7.6895,6.1352,1.3941;5.5502,.6803,.0757;