* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/96/01/2008lsh080.mol"
Structure: 1
InChI=1/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
AuxInfo=1/1/N:20,12,17,4,7,2,9,11,6,1,16,24,25,27,26/E:(4,5)(6,7)/rA:28nCCHCHCCHCHCCHHHCCHHCHHHNOOOH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s6;;s17;s17;s17;s20;s20;s20;s1s11;d11;s16s17;d16;s24;/rC:3.8908,11.5422,6.7896;3.3877,12.5038,5.9084;3.9135,13.2594,5.6737;2.1115,12.3463,5.3775;1.769,13.003,4.7826;1.3261,11.2404,5.7038;1.8391,10.2785,6.5756;1.315,9.5194,6.8024;3.1043,10.4238,7.1105;3.4453,9.7618,7.7004;5.9926,12.7039,7.4659;7.2755,12.4521,8.2113;7.4451,13.1934,8.8294;8.016,12.3829,7.5731;7.2008,11.6159,8.7169;-.0456,11.0749,5.1736;-1.7974,12.0722,3.9167;-2.4288,11.912,4.6621;-1.9075,11.3494,3.2492;-2.0629,13.4118,3.2853;-1.481,13.5265,2.5052;-1.8805,14.1216,3.9361;-3.0003,13.4601,3.0035;5.1602,11.6205,7.3836;5.7279,13.7948,6.9799;-.4274,12.1005,4.4108;-.7679,10.1236,5.4274;5.4083,10.8824,7.7803;