* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/75/01/2008lsh038.mol"
Structure: 1
InChI=1/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
AuxInfo=1/1/N:12,7,9,5,2,11,1,4,16,17,18/rA:20nCCHCCHCHCHCCHHHNOOHH/rB:s1;s2;d2;s4;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s1s11;d11;s4;s16;s18;/rC:8.5113,6.8967,1.0856;9.0519,8.1826,1.1177;9.8725,8.3366,1.5709;8.4056,9.2339,.4969;7.1946,9.0178,-.1671;6.7411,9.7352,-.5939;6.669,7.7351,-.1899;5.8458,7.5838,-.6393;7.3064,6.6642,.4228;6.9301,5.7925,.3911;8.9347,4.6266,2.03;9.9474,3.8702,2.8498;9.4831,3.2699,3.4699;10.4957,4.504,3.3577;10.5222,3.3445,2.2551;9.2619,5.9069,1.7655;7.9008,4.0912,1.6169;9.0118,10.456,.5585;10.0423,6.1637,2.0987;8.5222,11.0864,.2209;