* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/87/01/2008lsh121.mol" Structure: 1 InChI=1/C13H10N4O5/c18-13(14-9-3-1-5-11(7-9)16(19)20)15-10-4-2-6-12(8-10)17(21)22/h1-8,14-15H/q-5 AuxInfo=1/0/N:7,24,9,26,5,22,2,19,1,18,4,21,11,12,28,13,29,14,15,16,30,31/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)(19,20,21,22)/CRV:16.4,17.4,18-1.2,19-1.2,20-1,21-1.2,22-1/rA:32nCCHCCHCHCHCNN4O2-O2-O-HCCHCCHCHCHNN4O2-O-H/rB:d1;s2;s2;d4;s5;s5;s7;s1d7;s9;;s1s11;s4;d11;d13;s13;s12;;d18;s19;s19;d21;s22;s22;s24;s18d24;s26;s11s18;s21;d29;s29;s28;/rC:-2.356,7.029,11.937;-1.436,6.03,11.667;-1.472,5.538,10.855;-.459,5.769,12.617;-.375,6.427,13.828;.306,6.217,14.457;-1.321,7.405,14.092;-1.298,7.87,14.92;-2.3,7.71,13.159;-2.939,8.387,13.351;-3.862,6.708,10.004;-3.289,7.471,10.984;.55,4.743,12.304;-3.862,5.491,10.004;.399,4.062,11.298;1.51,4.636,13.07;-3.484,8.303,10.968;-5.368,7.029,8.071;-6.288,6.03,8.341;-6.252,5.538,9.153;-7.264,5.769,7.391;-7.349,6.427,6.18;-8.03,6.217,5.552;-6.403,7.405,5.916;-6.426,7.87,5.088;-5.423,7.71,6.849;-4.785,8.387,6.657;-4.435,7.471,9.024;-8.274,4.743,7.705;-8.123,4.062,8.711;-9.234,4.636,6.938;-4.24,8.303,9.04;