* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/18/01/2009src0583.mol"
Structure: 1
InChI=1/C12H13NO2/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7/h4-6H,1-3H3,(H,14,15)
AuxInfo=1/1/N:13,17,21,9,7,3,12,2,5,6,1,11,25,26,28/E:(2,3)(14,15)/rA:28nCCCHCCCHCHCCCHHHCHHHCHHHNOHO/rB:s1;s2;s3;d3;s5;d6;s7;d2s7;s9;s5;s11;s12;s13;s13;s13;s11;s17;s17;s17;s11;s21;s21;s21;s6d12;s1;s26;d1;/rC:1.0031,.2909,4.8612;1.7354,.5236,3.5929;1.9208,1.8441,3.1595;1.5947,2.5767,3.6688;2.5896,2.0469,1.9734;3.0706,.9596,1.2398;2.8919,-.3461,1.6495;3.2215,-1.0751,1.1373;2.21,-.5492,2.8416;2.0645,-1.4357,3.1505;2.9482,3.3032,1.2127;3.7171,2.6836,.0542;4.4088,3.4934,-.9729;5.1807,3.9426,-.5694;3.7906,4.1644,-1.3307;4.7132,2.9096,-1.6988;3.8495,4.2521,2.0072;3.3365,4.653,2.7397;4.1813,4.9593,1.4155;4.6074,3.7514,2.3749;1.7043,4.0435,.7013;1.1628,3.4347,.1567;1.9811,4.81,.1571;1.175,4.3582,1.4637;3.7533,1.3886,.0659;.758,-.9558,5.1644;.2833,-.9875,5.8566;.6497,1.2444,5.5774;