* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/38/01/2008lsh058.mol" Structure: 1 InChI=1/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11) AuxInfo=1/1/N:12,4,7,2,9,6,1,11,17,16,18/E:(2,3)(4,5)/rA:21nCCHCHCCHCHCCHHHNNOHHH/rB:s1;s2;d2;s4;s4;d6;s7;d1s7;s9;;s6;s12;s12;s12;s1s11;s11;d11;s16;s17;s17;/rC:4.1583,3.736,4.4036;3.2231,2.7549,4.6903;2.9191,2.6372,5.5826;2.7289,1.9438,3.6794;2.077,1.2852,3.8886;3.1681,2.0743,2.3648;4.1026,3.0604,2.0994;4.4138,3.173,1.2089;4.5981,3.8889,3.0954;5.2367,4.5593,2.883;4.01,5.2501,6.34;2.6365,1.1767,1.2727;2.9583,1.4944,.4032;1.6567,1.1932,1.2843;2.9496,.2601,1.4218;4.7273,4.5565,5.4174;4.7311,5.9968,7.1962;2.7644,5.1863,6.4075;5.6428,4.7233,5.4258;5.6256,6.0374,7.0717;4.2984,6.5446,7.7956;