* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/78/01/2008lsh051.mol"
Structure: 1
InChI=1/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
AuxInfo=1/1/N:17,12,7,5,9,2,16,11,4,1,21,24,23/rA:24nCCHCCHCHCHCCHHHCCHHHNHOO/rB:s1;s2;d2;s4;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s4;s16;s17;s17;s17;s1s11;s21;d11;d16;/rC:.6077,3.1192,2.8784;.4608,3.1595,4.2695;-.2843,2.7333,4.6765;1.3986,3.82,5.0648;2.485,4.4512,4.4674;3.1362,4.8902,5.002;2.612,4.4352,3.0754;3.3423,4.8844,2.6663;1.689,3.7744,2.2862;1.7906,3.7662,1.3417;-.3515,2.0287,.8356;-1.5186,1.1724,.4431;-1.6378,1.2082,-.5289;-2.3291,1.5028,.884;-1.3516,.2466,.7179;1.1968,3.804,6.5487;2.2237,4.4399,7.4387;2.1845,5.414,7.3386;3.1158,4.1214,7.1877;2.0415,4.1998,8.3712;-.3642,2.4025,2.1574;-1.0763,2.1611,2.6146;.5444,2.3212,.0627;.1847,3.2881,7.0259;