* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/46/01/2009src0112.mol" Structure: 1 InChI=1/C12H18N4O.C7H16.3CH4.3H2/c1-2-12(17)16-7-5-15(6-8-16)11-4-3-10(13)9-14-11;1-3-5-7-6-4-2;;;;;;/h3-4,9H,2,5-8,13H2,1H3;3-7H2,1-2H3;3*1H4;3*1H AuxInfo=1/0/N:18,1,36,38,41,50,44,47,33,35,40,53,55,54,56,57,58;5,14,24,17,8,30,27;21;2;11;7;9;10/E:(5,6)(7,8);(1,2)(3,4)(5,6);;;;;;/rA:60nCCHHCHHCHHCHHCHHCCHHCHHCHHCHHCHHCHCCHCHCCHHCHHCHHCHHCNNNNOHH/rB:;s2;s2;;;;;;;;s11;s11;;s14;s14;s14;s1;s18;s18;s6;s21;s21;s5s8;s5;s24;s8;s27;s27;s17s27;s30;s30;;s33;s33;d35;s36;s36;s38;d38;;s41;s41;s41;s44;s44;;s47;s47;s47;s50;s50;s1;d33s40;s35;s40s41s50;s44s47s53;d53;s55;s55;/rC:7.1712,-1.5199,2.1224;8.6357,-1.8926,2.0228;8.7273,-2.8775,1.9816;9.1166,-1.5723,2.8263;9.252,-1.2627,.7688;9.1977,-.2767,.8338;10.2091,-1.5124,.712;8.5401,-1.7201,-.49;8.6646,-2.6952,-.6064;8.9319,-1.2648,-1.2778;7.0306,-1.3991,-.408;6.9038,-.4175,-.4304;6.5718,-1.7837,-1.1966;6.3912,-1.9606,.8728;5.4566,-1.6435,.9394;6.3768,-2.9493,.8257;6.8442,-1.788,1.7109;7.8401,-.6462,1.8788;8.5508,-.9245,2.5095;7.3748,.1354,2.2713;8.4831,-.2325,.536;7.7885,.151,-.0569;9.1657,.466,.6984;9.1352,-1.4223,-.157;9.9085,-1.7298,.3817;9.4724,-1.1418,-1.045;8.148,-2.5782,-.3303;7.4225,-2.302,-.9448;8.6142,-3.3522,-.7336;7.5506,-2.9886,1.0098;8.2687,-3.3338,1.5972;6.8958,-3.7173,.869;-.527,.6057,4.5526;-.9169,1.3878,4.1798;-1.3232,-.2066,5.3287;-.7443,-1.3662,5.7936;-1.2632,-1.9816,6.2968;.586,-1.6424,5.5323;.983,-2.4439,5.8529;1.3317,-.7373,4.7984;3.3361,-2.1186,5.0383;3.0683,-2.8597,4.4397;3.0192,-2.3328,5.9503;4.8484,-1.9946,5.045;5.121,-1.3371,5.7337;5.2486,-2.8689,5.2816;4.7236,-.342,3.2849;5.0356,-.1359,2.3688;4.9866,.4072,3.8766;3.2106,-.4854,3.2873;2.799,.3786,3.0347;2.9444,-1.1596,2.6124;6.435,-2.1866,3.2207;.773,.3592,4.2887;-2.6339,.1618,5.6788;2.7206,-.8883,4.5889;5.3479,-1.5701,3.7483;6.9328,-3.1737,3.7529;-2.9844,.7551,5.1165;-3.1305,-.5448,5.9422;