* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/89/01/2008lsh008.mol"
Structure: 1
InChI=1/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
AuxInfo=1/1/N:16,12,4,7,2,9,6,11,1,20,21/E:(3,4)(5,6)/rA:22nCCHCHCCHCHCCHHHCHHHNOH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s6;s16;s16;s16;s1s11;d11;s20;/rC:7.4277,.6912,1.5534;8.0139,1.7426,.8453;7.4691,2.3847,.4055;9.3967,1.844,.7878;9.7846,2.5632,.3033;10.2355,.9256,1.4172;9.6294,-.125,2.107;10.1745,-.7733,2.5372;8.2527,-.2444,2.1789;7.8665,-.9685,2.6574;5.0338,1.3636,1.419;3.6407,.8407,1.6415;3.1868,1.3949,2.3103;3.6862,-.0848,1.9605;3.1417,.8716,.7986;11.7363,1.0557,1.3743;12.009,1.4065,.5009;12.1445,.1759,1.515;12.0313,1.6691,2.0793;6.0314,.4789,1.6552;5.235,2.5242,1.0476;5.7829,-.3275,1.9586;