* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/12/01/2005src1629.mol"
Structure: 1
InChI=1/C15H14N2.C15H11N2.C5H6.C5H5.3CHCl3.2BrH.2Fe.Ni/c2*1-2-7-12(6-1)13-9-5-10-15(17-13)14-8-3-4-11-16-14;2*1-2-4-5-3-1;3*2-1(3)4;;;;;/h1,3-4,6-11,14H,2,5H2;1-11H;1-4H,5H2;1-5H;3*1H;2*1H;;;/q-2;;;;;;;;;;;+4/p-2
AuxInfo=1/1/N:65,63,47,45,55,67,61,49,57,53,43,60,59,51,52,79,80;24,26,8,6,16,22,28,10,18,14,4,21,20,12,13,40,41;34,36,32,38,30;69,71,77,73,75;82,84,85,86;87,89,90,91;92,94,95,96;2;3;42;81;1/E:;(1,2)(6,7);(1,2)(3,4);(1,2,3,4,5);3*(2,3,4);;;;;/CRV:1.3,7.3,16-1,17-1;1.3;;1.3;;;;;;;;/rA:96nNiBrBrCHCHCHCHCCCHCHCHCCCHCHCHCHCHCHCHCHCHN4N4FeCHCHCHCHCCCHCHCHCCCHCHCHCHCHCHCHCHCHNNFeCHClClClCHClClClCHClClCl/rB:s1;s1;;s4;d4;s6;s6;s8;d8;s10;s10;s12;d13;s14;s14;s16;d16;s18;s18;s20;d21;s22;s22;s24;s24;s26;s21d26;s28;;s30;s30;s32;d32;s34;s34;s36;s30d36;s38;s1s4d12;s1s13d20;s24;;s43;d43;s45;s45;s47;d47;s49;s49;s51;d52;s53;s53;s55;s55;s57;d57;s59;s60;s61;s61;s63;s63;s65;d60s65;s67;;s69;s69;s71;d71;s73;s73;s75;s69d75;s77;s1s43s51;s1s52s59;s61s65s69;;s82;s82;s82;s82;;s87;s87;s87;s87;;s92;s92;s92;s92;/rC:5.8475,-.1614,4.0371;4.0125,.94,5.5372;4.3082,-1.7653,2.6739;4.36,1.8198,2.3281;3.6955,1.7468,3.0031;4.0803,2.6021,1.2351;3.2818,3.1146,1.1878;5.0167,2.6172,.1907;4.8472,3.1014,-.6089;6.1882,1.9118,.3545;6.8422,1.926,-.3344;6.4272,1.1867,1.4997;7.6256,.4049,1.7393;8.8105,.6813,1.0422;8.8375,1.3489,.3669;9.9386,-.0489,1.369;10.7688,.1492,.952;9.8618,-1.0478,2.2841;10.6359,-1.5558,2.4968;8.6399,-1.3332,2.9186;8.5272,-2.4664,3.8216;7.5012,-3.4532,3.8516;6.746,-3.4968,3.2769;7.8114,-4.3522,4.8889;7.2896,-5.1068,5.1352;9.0031,-3.9638,5.4988;9.4165,-4.3998,6.2346;9.4985,-2.8032,4.8347;10.3079,-2.3427,5.0221;9.2957,-5.4672,1.7709;8.5753,-5.564,1.1592;9.55,-6.29,2.8954;9.0168,-7.022,3.1826;10.7285,-5.8355,3.5127;11.127,-6.2159,4.2867;11.2258,-4.7218,2.7977;12.0167,-4.234,2.9953;10.3158,-4.4639,1.7184;10.3786,-3.7578,1.0859;5.4849,1.1661,2.5021;7.5521,-.5686,2.6842;9.3171,-4.3584,3.5193;5.0876,-2.4094,5.8598;4.3727,-2.5329,5.2465;5.1348,-3.2095,6.9819;4.4643,-3.8632,7.1418;6.1835,-3.0369,7.8702;6.2544,-3.5868,8.6416;7.1176,-2.065,7.6248;7.8275,-1.9228,8.24;7.0271,-1.2844,6.4731;7.9566,-.2147,6.1447;9.2112,-.1613,6.7564;9.45,-.789,7.4283;10.0932,.8178,6.3662;10.9683,.848,6.7348;9.7039,1.7438,5.4482;10.3113,2.4132,5.1559;8.3984,1.7015,4.937;7.9426,2.7667,4.0286;8.7412,3.3437,3.0029;9.644,3.1277,2.801;7.9343,4.3029,2.3386;8.1966,4.8197,1.5858;6.6954,4.3629,2.9701;5.9832,4.952,2.7504;6.6857,3.3915,3.9963;5.9527,3.1945,4.5677;9.8282,5.7036,4.9697;10.7074,5.4468,4.7175;9.0598,6.6281,4.2943;9.2993,7.1155,3.5149;7.8206,6.6989,5.0176;7.093,7.2734,4.8102;7.8582,5.7832,6.0792;7.1515,5.5959,6.6858;9.137,5.1925,6.0804;9.4692,4.5665,6.7131;5.9872,-1.4804,5.5963;7.5413,.6987,5.2479;8.158,4.7944,4.3117;.9137,-4.5553,-.0958;.2152,-4.903,.5297;2.2118,-3.8989,.8282;.1984,-3.3179,-1.1132;1.4861,-5.904,-1.1341;1.2351,-.2667,3.4778;2.2273,-.2181,3.5925;.8591,-.6501,1.7972;.5996,-1.4955,4.5108;.5229,1.2916,3.8891;1.5706,3.0744,6.8945;1.9102,2.4553,6.1864;1.2312,2.1509,8.3468;2.755,4.3133,7.1796;.077,3.8086,6.3433;