* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/81/01/2008lsh045.mol"
Structure: 1
InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
AuxInfo=1/1/N:6,18,4,8,16,20,2,10,14,22,1,13,12,24,25,26/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:28nCCHCHCHCHCHCCCHCHCHCHCHNNOHH/rB:s1;s2;d2;s4;s4;s6;d6;s8;d1s8;s10;;;s13;s14;d14;s16;s16;s18;d18;s20;d13s20;s22;s1s12;s12s13;d12;s24;s25;/rC:-.2907,6.9789,10.6368;.6866,7.72,11.3072;1.0343,8.5168,10.9243;1.1411,7.2749,12.539;1.8246,7.7582,12.9882;.6138,6.1373,13.1235;.9208,5.8495,13.9752;-.3657,5.4218,12.4553;-.7348,4.6419,12.8527;-.8101,5.8365,11.2123;-1.4737,5.3342,10.7541;-.1039,7.92,8.3653;-.3301,8.7397,6.0569;.7585,9.6043,5.9958;1.1749,9.9012,6.7964;1.2347,10.0315,4.7685;1.9905,10.6059,4.7327;.6215,9.6313,3.5893;.9587,9.9172,2.7484;-.4858,8.8115,3.6589;-.9299,8.5552,2.8591;-.9577,8.3584,4.8747;-1.7138,7.7841,4.9045;-.8242,7.4158,9.3943;-.8533,8.2703,7.2781;1.1228,8.0478,8.3902;-1.6792,7.3176,9.2824;-1.6731,7.9837,7.2772;