* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/91/01/2008lsh010.mol"
Structure: 1
InChI=1/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
AuxInfo=1/1/N:12,4,7,2,9,11,6,1,17,16,18/E:(2,3)(4,5)/rA:21nCCHCHCCHCHCCHHHNNOHHH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s6;d11;s17;s17;s16;/rC:8.275,1.859,11.7263;7.0139,2.4434,11.6018;6.6696,2.6494,10.7407;6.2629,2.7237,12.7327;5.4033,3.1169,12.6374;6.7499,2.4373,14.0098;7.994,1.8191,14.1187;8.3311,1.5906,14.977;8.7457,1.5335,12.9894;9.5914,1.1108,13.0818;8.8064,1.2771,9.3668;9.9832,1.13,8.4289;9.7628,.482,7.7274;10.7637,.8151,8.9309;10.1857,1.9974,8.0203;9.1444,1.6381,10.6188;5.974,2.7067,15.1596;7.6412,1.0906,8.9997;5.5204,3.4637,15.1102;6.476,2.6954,15.8989;10.0099,1.759,10.7769;