* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/76/01/2010src0402.mol"
Structure: 1
InChI=1/C15H16N3O2.C15H15N3O2.C5H7.C5H6.CH2Cl2.2Fe/c2*1-19-13-7-11-12(8-14(13)20-2)16-9-17-15(11)18-10-5-3-4-6-10;2*1-2-4-5-3-1;2-1-3;;/h3,6-9H,4-5H2,1-2H3,(H,16,17,18);3-5,7-9H,6H2,1-2H3,(H,16,17,18);1-2,5H,3-4H2;1-4H,5H2;1H2;;
AuxInfo=1/1/N:16,12,25,23,27,21,9,5,2,20,11,4,8,7,1,42,41,39,44,43;61,57,68,70,66,72,54,50,47,65,56,49,53,52,46,87,86,84,89,88;76,78,74,80,82;33,35,31,37,29;91,94,95;45;90/E:;;2*(1,2)(3,4);(2,3);;/CRV:3.3;;5.3;;;;/rA:95nCCHCCHCCCHCCHHHCHHHCCHCHCHCHCHCHCHCHCHNHNNOOFeCCHCCHCCCHCCHHHCHHHCCHCHCHCHCHCHCHCHCHNHNNOOFeCHHClCl/rB:;s2;;s4;s5;d5;s7;d8;s9;s1d4s9;;s12;s12;s12;;s16;s16;s16;;d20;s21;s21;s23;s23;s25;s20s25;s27;;s29;s29;s31;d31;s33;s33;s35;s29d35;s37;s1s20;s39;d1s2;d2s4;s7s12;s8s16;;;;s47;;s49;s50;d50;s52;d53;s54;s46d49s54;;s57;s57;s57;;s61;s61;s61;;d65;s66;s66;s68;d68;s70;s65s70;s72;;s74;s74;s76;d76;s78;s78;s80;s45s74s80;s82;s46s65;s84;d46s47;d47s49;s52s57;s53s61;s25;;s91;s91;s91;s91;/rC:.5827,12.3771,14.2773;.8491,10.2397,13.6324;.7351,9.5951,12.9439;1.4918,10.7158,15.7487;1.975,10.2686,17.0182;2.2348,9.3623,17.1353;2.0633,11.1481,18.0666;1.7327,12.5158,17.874;1.2822,12.9627,16.6445;1.0499,13.8766,16.5288;1.1665,12.0626,15.5587;2.6133,9.4267,19.6107;1.8051,8.9222,19.3812;2.8084,9.3148,20.5646;3.3678,9.0933,19.0816;1.7088,14.6749,18.8039;2.3034,14.9962,18.0943;1.9181,15.1397,19.6409;.7777,14.8528,18.5554;-.4648,14.1288,12.8741;-.6339,13.5006,11.6321;-.3303,12.6332,11.3912;-1.3523,14.4163,10.795;-1.6166,14.2579,9.8964;-1.5982,15.5856,11.5288;-2.0578,16.3565,11.2171;-1.0432,15.4126,12.807;-1.0555,16.0531,13.5086;-3.2184,12.728,13.8658;-2.7194,12.2412,14.5112;-3.5805,12.3034,12.5631;-3.3715,11.4571,12.1855;-4.2884,13.3139,11.9217;-4.6275,13.2706,11.0353;-4.4234,14.4145,12.7959;-4.865,15.2364,12.6172;-3.7603,14.0392,14.0038;-3.6909,14.5811,14.781;.1812,13.6445,14.0385;.3375,14.2325,14.6743;.4332,11.4876,13.3166;1.3875,9.7744,14.743;2.4083,10.8037,19.3278;1.893,13.2792,18.9792;-3.8396,18.8096,19.6441;-1.5599,18.1632,16.5692;-1.0765,15.9441,16.4836;-1.3557,15.0619,16.6988;.437,17.3369,15.5294;1.6678,17.5035,14.8522;2.1744,16.7466,14.5821;2.1179,18.7637,14.5922;1.3906,19.9037,15.0064;.1757,19.7485,15.6274;-.3422,20.5117,15.8549;-.3102,18.4386,15.9317;4.1399,17.9815,13.566;4.3076,17.3837,14.3242;4.9923,18.3265,13.2272;3.682,17.4865,12.8548;1.3537,22.2825,15.2632;.5057,22.4287,14.7941;1.9402,23.0556,15.1266;1.1815,22.1682,16.2212;-3.6041,19.0437,17.6411;-4.4022,17.9158,17.9116;-4.2041,17.0226,17.6559;-5.548,18.3342,18.6276;-6.2501,17.7717,18.9326;-5.4685,19.7311,18.8107;-6.1028,20.2774,19.2597;-4.2607,20.1693,18.1972;-3.9476,21.0657,18.1659;-1.9572,18.5667,20.3302;-1.1718,18.5498,19.7959;-2.7361,17.4788,20.6947;-2.5526,16.5809,20.4446;-3.796,17.8612,21.4556;-4.4696,17.2938,21.8116;-3.7063,19.2637,21.6169;-4.3013,19.8175,22.1086;-2.5498,19.6841,20.8986;-2.2378,20.5781,20.822;-2.4041,19.1634,16.9361;-2.168,19.9784,16.7031;-1.9096,16.9087,16.8725;.0746,16.0238,15.8468;3.3172,19.0756,13.9928;1.9882,21.104,14.7475;-2.4494,13.9973,12.4543;.4675,24.2676,11.3827;-.5024,24.4358,11.4877;.7059,24.4235,10.4345;.8238,22.6115,11.8109;1.3952,25.4043,12.4338;