* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/42/01/2008lsh038.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:12,4,2,6,9,11,1,8,16,17,18/rA:20nCCHCHCHCCHCCHHHNOOHH/rB:d1;s2;s2;s4;d4;s6;s6;s1d8;s9;;s11;s12;s12;s12;s1s11;d11;s8;s16;s18;/rC:8.5113,6.8966,1.0857;7.3064,6.6641,.4229;6.93,5.7924,.3913;6.669,7.7351,-.19;5.846,7.5838,-.6396;7.1947,9.0178,-.167;6.7411,9.7352,-.5937;8.4057,9.234,.4969;9.0519,8.1826,1.1178;9.8725,8.3367,1.571;8.9348,4.6265,2.03;9.9474,3.8701,2.8499;9.4829,3.27,3.47;10.4957,4.504,3.3578;10.5221,3.3443,2.2553;9.262,5.907,1.7656;7.9008,4.0913,1.6168;9.0114,10.4563,.5584;10.0456,6.1658,2.101;8.5058,11.1072,.2031;