* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/93/01/2008lsh023.mol"
Structure: 1
InChI=1/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
AuxInfo=1/1/N:12,17,2,9,4,7,11,16,1,6,21,22,24,23/E:(3,4)(5,6)/rA:25nCCHCHCCHCHCCHHHCCHHHNOOOH/rB:s1;s2;d2;s4;s4;d6;s7;d1s7;s9;;s11;s12;s12;s12;;s16;s17;s17;s17;s1s11;d11;s6s16;d16;s21;/rC:1.7447,3.8556,1.4669;2.3983,4.9476,2.0284;1.9039,5.6223,2.4788;3.7833,5.0429,1.9245;4.2373,5.7888,2.2987;4.4939,4.0584,1.281;3.8614,2.973,.7128;4.3629,2.302,.2647;2.4817,2.8772,.8061;2.0345,2.1359,.4148;-.6179,4.5624,1.8566;-2.0254,4.032,1.7907;-2.6018,4.561,2.3809;-2.0352,3.0952,2.0783;-2.3553,4.0946,.87;6.6726,3.6757,2.0911;8.1067,3.95,1.786;8.2713,4.9151,1.8306;8.3174,3.6239,.8862;8.6735,3.4914,2.4408;.3448,3.6603,1.5394;-.3694,5.7231,2.1734;5.8811,4.2144,1.1346;6.2373,3.0927,3.0383;.0766,2.8358,1.4405;