* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/12/01/07skc0022p21n.mol" Structure: 1 InChI=1/C5H9N2.C4H4O4/c1-5-6-3-4-7(5)2;5-3(6)1-2-4(7)8/h3-4,6H,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ AuxInfo=1/1/N:21,17,13,15,12,26,25;2,4,1,6,7,8,9,11/E:;(1,2)(3,4)(5,6,7,8)/gE:;(1,2)/CRV:6.4;/rA:27nCCHCHCOOOHOCCHCHCHHHCHHHNN4H/rB:s1;s2;d2;s4;s4;s1;d1;s6;s9;d6;;;s13;d13;s15;;s17;s17;s17;s12;s21;s21;s21;s12s15s17;d12s13;s26;/rC:1.0815,.5253,-7.3425;1.3549,1.8817,-6.7677;.9539,2.6428,-7.1714;2.1334,2.0498,-5.7188;2.5322,1.2805,-5.3296;2.4238,3.3712,-5.1104;1.644,-.4751,-6.818;.3069,.4552,-8.3444;3.1952,3.2626,-4.0324;3.3663,4.0284,-3.7327;1.9935,4.4311,-5.5342;3.8369,2.0031,-8.993;4.8082,3.2089,-7.4386;5.0932,3.9571,-6.9287;5.0999,1.926,-7.1848;5.6188,1.5934,-6.4624;4.5756,-.2825,-8.3377;4.1807,-.5405,-9.1965;4.0861,-.7167,-7.6086;5.5149,-.5615,-8.3142;3.0528,1.6494,-10.1985;3.6625,1.3821,-10.9175;2.5284,2.4257,-10.487;2.4494,.9058,-9.9894;4.4955,1.1801,-8.1811;4.0283,3.2509,-8.5636;3.7066,3.9793,-8.9393;