* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/88/01/2008lsh140.mol"
Structure: 1
InChI=1/C15H16N2O/c1-11-5-3-7-13(9-11)16-15(18)17-14-8-4-6-12(2)10-14/h3-10,16-17H,1-2H3/q-1
AuxInfo=1/0/N:12,29,7,25,5,23,9,27,2,20,4,22,1,19,11,16,33,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)/CRV:18-1.2/rA:34nCCHCCHCHCHCCHHHNO2-HCCHCCHCHCHCHHHNH/rB:d1;s2;s2;d4;s5;s5;s7;s1d7;s9;;s4;s12;s12;s12;s1s11;d11;s16;;d19;s20;s20;d22;s23;s23;s25;s19d25;s27;s22;s29;s29;s29;s11s19;s33;/rC:6.088,2.076,1.518;5.827,3.359,1.986;5.157,3.49,2.648;6.535,4.459,1.496;7.507,4.244,.531;7.997,4.979,.184;7.769,2.962,.068;8.434,2.83,-.597;7.071,1.873,.564;7.265,.996,.253;4.795,0,1.348;6.223,5.845,2.003;6.985,6.436,1.83;6.05,5.809,2.967;5.431,6.19,1.542;5.367,.995,2.081;4.795,0,.105;5.207,.943,2.932;3.502,-2.076,1.518;3.763,-3.359,1.986;4.432,-3.49,2.648;3.055,-4.459,1.496;2.083,-4.244,.531;1.593,-4.979,.184;1.821,-2.962,.068;1.156,-2.83,-.597;2.519,-1.873,.564;2.325,-.996,.253;3.367,-5.845,2.003;2.605,-6.436,1.83;3.54,-5.809,2.967;4.159,-6.19,1.542;4.223,-.995,2.081;4.383,-.943,2.932;