* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/92/01/2008lsh013.mol"
Structure: 1
InChI=1/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
AuxInfo=1/1/N:12,16,2,9,4,7,11,1,6,20,21,22/E:(3,4)(5,6)/rA:23nCCHCHCCHCHCCHHHCHHHNOOH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;;s16;s16;s16;s1s11;d11;s6s16;s20;/rC:8.5427,1.1094,14.3568;7.5123,.233,14.7044;6.9483,-.1307,14.0319;7.3157,-.1041,16.0355;6.6148,-.7014,16.2689;8.1315,.421,17.0343;9.1969,1.2422,16.6887;9.7863,1.5701,17.3578;9.3927,1.5799,15.3536;10.1207,2.1427,15.1175;7.9335,1.5325,11.9863;8.4292,2.1839,10.7234;8.3639,1.548,9.9806;9.3638,2.4545,10.8406;7.8828,2.9733,10.5268;8.3864,.8708,19.3639;9.3537,.7151,19.3878;7.994,.6213,20.2266;8.2124,1.819,19.188;8.7907,1.547,13.0301;6.8043,1.0343,12.0462;7.8011,.0778,18.3263;9.5571,1.9162,12.8823;