* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/99/01/2008lsh167.mol" Structure: 1 InChI=1/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6,11H,1-2H3/q-2 AuxInfo=1/0/N:17,12,4,7,2,9,16,11,6,1,21,24,23/E:(3,4)(5,6)/CRV:12-1.2,13-1.2/rA:24nCCHCHCCHCHCCHHHCCHHHNHO2-O2-/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s6;s16;s17;s17;s17;s1s11;s21;d11;d16;/rC:.441,5.357,-1.044;1.151,6.428,-.513;1.573,7.051,-1.093;1.244,6.585,.864;1.73,7.318,1.227;.627,5.674,1.712;-.084,4.603,1.182;-.506,3.979,1.761;-.177,4.445,-.196;-.663,3.713,-.559;.494,6.046,-3.465;.131,5.489,-4.812;-.639,5.978,-5.17;-.097,4.541,-4.723;.892,5.587,-5.422;.646,5.931,3.142;-.011,5.034,4.146;.359,4.13,4.067;-.977,5.007,3.977;.154,5.377,5.048;.251,5.124,-2.424;-.047,4.328,-2.656;.882,7.184,-3.326;1.471,6.765,3.585;