* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/27/01/2009src1152.mol" Structure: 1 InChI=1/C22H18N4O4/c27-20(30-15-16-8-6-7-13-23-16)14-25-18-11-4-5-12-19(18)26(22(29)24-21(25)28)17-9-2-1-3-10-17/h1-13H,14-15H2,(H,24,28,29) AuxInfo=1/1/N:18,16,20,9,7,34,36,32,14,22,11,5,38,24,28,31,13,3,4,27,2,1,43,40,41,42,46,45,44,47/E:(2,3)(9,10)/rA:48nCCCCCHCHCHCHCCHCHCHCHCHCHHCCHHCCHCHCHCHNNNNOOOOH/rB:;;s3;d4;s5;s5;s7;d7;s9;d3s9;s11;;d13;s14;s14;s16;d16;s18;s18;s20;s13d20;s22;;s24;s24;s24;;s28;s28;s28;d31;s32;s32;s34;d34;s36;s36;s38;s1s2;s2s3s24;s1s4s13;s31d38;d1;d2;d27;s27s28;s40;/rC:2.7954,5.156,1.4149;4.9448,4.0319,1.165;5.6027,6.3321,1.7164;4.3885,6.9444,1.9705;4.3318,8.3391,1.9811;3.5086,8.7742,2.1695;5.4445,9.0839,1.7242;5.3972,10.0313,1.7767;6.6456,8.4755,1.3869;7.4091,8.9974,1.1696;6.7081,7.0891,1.3736;7.5171,6.6565,1.127;2.3109,6.5798,3.292;1.2933,7.4873,3.0626;1.197,7.8976,2.2113;.4147,7.7906,4.0928;-.2821,8.4204,3.9499;.5496,7.1749,5.3371;-.0603,7.3761,6.0371;1.5747,6.2705,5.548;1.67,5.8524,6.3957;2.4535,5.9754,4.5382;3.16,5.3584,4.6886;6.8997,4.369,2.4962;7.5111,5.1071,2.7442;7.3791,3.7719,1.8687;6.5146,3.5833,3.7524;7.4536,2.2465,5.4754;7.017,1.3738,5.3085;6.8955,2.7599,6.1117;8.8151,2.0394,6.0387;9.9778,2.537,5.5151;9.953,3.0383,4.7085;11.1795,2.3198,6.1426;11.9896,2.6544,5.7761;11.1771,1.5884,7.3427;11.9807,1.4273,7.823;9.9734,1.1167,7.7939;9.9769,.5951,8.5879;3.7413,4.5286,.6514;5.7302,4.9127,1.8434;3.2184,6.1674,2.2408;8.7999,1.3322,7.2066;1.609,4.8428,1.3696;5.2705,2.8618,.9911;5.4177,3.5409,4.244;7.5977,2.9807,4.2302;3.2728,3.8297,.1159;