* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/46/01/2008lsh010.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:12,4,7,2,9,11,6,1,18,16,19/E:(2,3)(4,5)/rA:21nCCHCHCCHCHCCHHHNHNOHH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s16;s6;d11;s18;s18;/rC:8.275,1.8588,11.7261;7.0139,2.4436,11.6022;6.6697,2.6502,10.7412;6.2629,2.7236,12.7326;5.403,3.1161,12.6371;6.7499,2.4378,14.0102;7.9941,1.8191,14.1187;8.3312,1.5904,14.9769;8.7456,1.5336,12.9892;9.5913,1.1109,13.0816;8.8063,1.2773,9.3667;9.9828,1.1302,8.4291;9.7624,.4825,7.7275;10.7632,.8151,8.9312;10.1855,1.9977,8.0209;9.1432,1.6384,10.6188;10.0024,1.7519,10.7714;5.9741,2.7068,15.1595;7.6413,1.0907,8.9996;5.5157,3.4732,15.1075;6.489,2.6988,15.9048;