* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/39/01/2007src1290.mol" Structure: 1 InChI=1/C14H14N4O3S/c1-8-3-5-10(6-4-8)22(20,21)18-13(15)12-11(17-18)7-9(2)16-14(12)19/h3-7H,15H2,1-2H3,(H,16,19) AuxInfo=1/1/N:22,8,15,18,13,20,4,17,6,12,3,2,1,7,28,31,27,26,33,34,35,36/E:(3,4)(5,6)(20,21)/CRV:22.6/rA:36nCCCCHCCCHHHCCHCHCCHCHCHHHNNNHHNHOOOS/rB:d1;s2;s3;s4;d4;s2;s6;s8;s8;s8;;d12;s13;s13;s15;d15;s17;s18;s12d18;s20;s17;s22;s22;s22;s1;d3s26;s1;s28;s28;s6s7;s31;d7;;;s12s26d34d35;/rC:2.7983,6.4155,3.5833;2.1074,5.5586,4.4021;.8378,6.1474,4.6361;-.0884,5.4802,5.4968;-.9443,5.8493,5.6806;.3011,4.2997,6.0416;2.4862,4.2768,4.9298;-.5341,3.5342,7.0142;-1.4093,3.9659,7.104;-.0871,3.5172,7.8862;-.654,2.6169,6.6907;1.1013,7.6926,.8384;1.7516,6.7214,.0863;2.6758,6.5463,.2194;1.0305,6.0134,-.86;1.4669,5.3511,-1.3827;-.3218,6.2585,-1.0551;-.9414,7.2425,-.2963;-1.8616,7.4305,-.4394;-.2414,7.9585,.6693;-.6778,8.615,1.1995;-1.1113,5.4684,-2.0744;-1.2168,4.5455,-1.762;-.6344,5.471,-2.9305;-1.9946,5.8766,-2.1913;1.951,7.4914,3.3835;.6898,7.3068,3.9973;4.0402,6.2842,3.0662;4.5048,5.643,3.4634;4.475,7.0024,2.7688;1.5309,3.7232,5.7446;1.7108,2.942,6.1077;3.5561,3.6978,4.6663;3.3762,8.6253,1.7166;1.273,9.7166,2.4617;1.9917,8.5563,2.0778;