* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/14/01/01/2009lsh011.mol" Structure: 1 InChI=1/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5,11H,1H3/q-1 AuxInfo=1/0/N:12,4,7,2,9,19,11,6,1,20,16,18/E:(2,3)(4,5)/CRV:12-1.2/rA:20nCCHCHCCHCHCCHHHNHO2-CN/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s16;d11;s6;t19;/rC:3.363,13.301,.935;3.063,13.935,-.271;3.273,13.514,-1.096;2.461,15.174,-.258;2.252,15.597,-1.082;2.158,15.808,.926;2.451,15.167,2.141;2.236,15.591,2.964;3.047,13.931,2.144;3.246,13.503,2.968;4.349,11.166,.145;5.053,9.91,.648;5.714,9.617,-.013;4.392,9.198,.786;5.503,10.105,1.497;4.025,12.047,1.157;4.24,11.829,1.982;4.112,11.392,-1.031;1.546,17.112,.936;1.079,18.159,.939;