* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/03/01/2008src0926.mol" Structure: 1 InChI=1/C12H14N4O2/c1-3-15(7-13-1)9-5-17-12-10(6-18-11(9)12)16-4-2-14-8-16/h1-4,7-12H,5-6H2/t9-,10-,11+,12+/m0/s1 AuxInfo=1/0/N:5,23,3,25,18,11,1,21,7,14,9,16,27,30,28,29,32,31/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/it:im/rA:32nCHCHCHCHCHCHHCHCHCHHCHCHCHNNNNOO/rB:s1;;s3;d3;s5;;s7;s7;s9;;s11;s11;s11;s14;s9s14;s16;s7;s18;s18;;s21;;s23;d23;s25;d1s5;s1s3s7;s14s21s25;d21s23;s9s11;s16s18;/rC:4.579,6.075,12.466;5.053,6.441,11.729;2.955,5.229,13.671;2.114,4.895,13.956;4.095,5.301,14.401;4.177,5.025,15.307;2.364,5.736,11.273;1.412,5.82,11.567;2.564,4.452,10.452;2.828,3.679,11.029;1.668,4.414,8.271;1.347,5.315,8.017;1.213,3.743,7.702;3.179,4.318,8.103;3.488,4.921,7.368;3.674,4.828,9.459;4.548,4.415,9.71;2.708,6.822,10.271;1.917,7.056,9.723;3.028,7.636,10.734;4.774,2.62,7.21;5.361,3.259,6.823;3.914,.781,7.85;3.776,-.148,7.992;3.09,1.762,8.291;2.293,1.649,8.796;5.12,5.832,13.645;3.265,5.738,12.433;3.629,2.95,7.865;4.982,1.326,7.167;1.403,4.157,9.664;3.751,6.26,9.447;