* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/94/01/2008lsh032.mol"
Structure: 1
InChI=1/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
AuxInfo=1/1/N:19,12,16,2,9,4,7,11,1,6,23,24,25/E:(4,5)(6,7)/rA:26nCCHCHCCHCHCCHHHCHHCHHHNOOH/rB:s1;s2;d2;s4;s4;d6;s7;d1s7;s9;;s11;s12;s12;s12;;s16;s16;s16;s19;s19;s19;s1s11;d11;s6s16;s23;/rC:2.1717,4.0485,-.5879;2.2788,3.1256,.4427;1.5438,2.5596,.6474;3.4595,3.0231,1.1812;3.5254,2.3912,1.8876;4.5373,3.8459,.8817;4.4417,4.7596,-.1634;5.1838,5.3109,-.3821;3.2653,4.8646,-.8838;3.2008,5.4992,-1.5878;.0447,3.3102,-1.624;-1.1008,3.7896,-2.4781;-1.211,3.1886,-3.2443;-.9122,4.6963,-2.7987;-1.9243,3.7958,-1.9468;5.8592,3.0121,2.7103;5.8243,2.0544,2.4617;5.1184,3.2022,3.3389;7.1895,3.3416,3.3498;7.9161,3.0119,2.7807;7.2439,2.9135,4.2297;7.2706,4.3127,3.4533;.9894,4.2373,-1.354;.0954,2.1509,-1.2054;5.7458,3.835,1.5423;.8922,5.0475,-1.7272;