* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/33/01/01src465.mol" Structure: 1 InChI=1/C16H18N4O4/c1-17(13-7-3-5-9-15(13)19(21)22)11-12-18(2)14-8-4-6-10-16(14)20(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24) AuxInfo=1/1/N:9,18,25,35,27,37,23,33,29,39,12,15,22,32,21,31,5,6,7,8,1,2,3,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22,23,24)/gE:(1,2)/CRV:1d,2d,19.4,20.4/rA:40nOOOONNN4N4C.2HHCHHCHHC.2HHCCCHCHCHCHCCCHCHCHCH/rB:;;;;;d1s2;d3s4;s5;s9;s9;s5;s12;s12;s6s12;s15;s15;s6;s18;s18;s7;s5d21;s22;s23;d23;s25;s25;s27;s21d27;s29;s8;s6d31;s32;s33;d33;s35;s35;s37;s31d37;s39;/rC:5.4043,2.1804,6.8017;4.3075,2.4776,8.633;6.5385,-3.283,7.0543;7.3682,-2.6368,8.9562;8.1107,1.6003,7.2652;8.0067,-1.1024,5.4296;5.358,2.4854,7.9867;7.4701,-2.8871,7.7528;9.4967,1.5224,6.7739;9.5794,.7506,6.1595;10.1036,1.3662,7.5404;7.501,.27,7.4804;6.7466,.3674,8.1141;8.1731,-.3202,7.9048;6.9887,-.408,6.2168;6.2896,-1.0608,6.472;6.5617,.2771,5.6438;7.7504,-1.137,3.9841;6.7816,-1.2758,3.8346;8.2289,-1.9106,3.5932;6.5722,2.9365,8.6763;7.8649,2.5316,8.2955;8.9125,3.1291,9.0193;9.8084,2.9046,8.7969;8.6871,4.0283,10.0393;9.4261,4.4012,10.5056;7.3974,4.3976,10.3961;7.2462,5.0202,11.0975;6.3449,3.8413,9.7105;5.4543,4.0757,9.9439;8.7881,-2.7418,7.1294;8.9532,-1.9731,5.9739;10.2391,-2.0129,5.3953;10.4065,-1.5246,4.5978;11.2569,-2.7467,5.9647;12.1093,-2.7622,5.5457;11.0633,-3.4646,7.1387;11.7773,-3.9572,7.526;9.8217,-3.4509,7.7316;9.6722,-3.9208,8.5435;