* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/09/39/01/02src008.mol"
Structure: 1
InChI=1/C15H13N3O2/c1-16-14-17-12-9-5-6-10-13(12)18(14)15(19)20-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17)
AuxInfo=1/1/N:12,22,20,24,6,4,18,26,8,2,17,10,1,11,16,29,28,30,31,32/E:(3,4)(7,8)/rA:33nCCHCHCHCHCCCHHHCCCHCHCHCHCHNNNOOH/rB:d1;s2;s2;s4;d4;s6;s6;s8;s1d8;;;s12;s12;s12;;;d17;s18;s18;s20;d20;s22;s22;s24;s17d24;s26;s10d11;s11s12;s1s11s16;d16;s16s17;s29;/rC:.1726,3.0307,5.2483;.0223,2.1338,4.2037;.0415,2.4173,3.2972;-.1578,.7999,4.5454;-.2655,.1558,3.8554;-.1843,.3836,5.8689;-.3124,-.5363,6.0688;-.0261,1.2945,6.9049;-.0413,1.0083,7.8106;.1549,2.633,6.5859;.4596,4.7541,6.6716;.8624,6.254,8.5046;.1149,5.8972,9.0283;.9447,7.217,8.667;1.6919,5.8056,8.7718;.445,5.348,4.2673;.2996,5.4889,1.9148;1.226,5.1324,.9611;1.8382,4.4237,1.1205;1.2467,5.8295,-.2369;1.8884,5.6094,-.902;.3392,6.8407,-.4661;.3623,7.3202,-1.2859;-.6052,7.1606,.4926;-1.2428,7.8429,.3182;-.6268,6.4927,1.7043;-1.2617,6.7182,2.374;.3376,3.7133,7.4528;.6195,6.0207,7.0946;.3682,4.4349,5.2989;.6392,6.5293,4.4036;.2745,4.7167,3.0904;.9084,6.6328,6.4929;