* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/01/01/94src254.mol" Structure: 1 InChI=1/C19H14.C19H13.Fe/c2*1-2-8-14(7-1)19-17-11-5-3-9-15(17)13-16-10-4-6-12-18(16)19;/h1-14H;1-13H; AuxInfo=1/0/N:4,6,17,27,15,29,2,8,19,25,13,31,22,10,21,24,12,33,11;36,38,49,59,47,61,34,40,51,57,45,63,54,42,53,56,44,65,43;1/E:2*(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18);/CRV:;2.3;/rA:65nFeCHCHCHCHCCCCHCHCHCHCCHCCHCHCHCHCCHCHCHCHCCCCHCHCHCHCCHCCHCHCHCHC/rB:;s2;d2;s4;s4;s6;d6;s8;s2s8;s10;d11;s12;s13;d13;s15;s15;s17;d17;s19;s12s19;d21;s22;s22;s24;s25;d25;s27;s27;s29;d29;s31;s11d24s31;;s34;d34;s36;s1s36;s38;s38;s40;s34d40;s42;d43;s44;s45;d45;s47;s47;s49;d49;s51;s44s51;d53;s54;s54;s56;s57;d57;s59;s59;s61;d61;s63;s43d56s63;/rC:20.991,2.3965,15.1168;22.3892,1.072,14.3985;22.9893,1.2349,13.707;21.0901,.5512,14.2467;20.6898,.3014,13.4453;20.5028,.4759,15.5307;19.6461,.1691,15.7225;21.4347,.9429,16.4607;21.2941,1.0054,17.3779;22.6376,1.3095,15.7824;23.9098,1.7117,16.4529;24.7215,2.7771,15.9695;24.4712,3.5113,14.7859;23.7293,3.2822,14.274;25.249,4.5217,14.3625;25.0372,4.9733,13.5776;26.3866,4.8986,15.1071;26.9306,5.5928,14.8122;26.6771,4.2492,16.2417;27.429,4.5118,16.7218;25.8813,3.1636,16.7546;26.2014,2.489,17.9158;26.9316,2.7712,18.4178;25.4549,1.3923,18.3551;25.8416,.661,19.5188;26.5713,.9441,20.0212;25.1531,-.4415,19.8951;25.4084,-.8988,20.6637;24.0785,-.9001,19.1591;23.6312,-1.6733,19.418;23.6779,-.2188,18.0573;22.9517,-.5427,17.5749;24.3282,.9886,17.5979;19.6548,3.5994,14.1083;19.1497,3.3589,13.3654;19.2615,3.4383,15.4426;18.4561,3.0792,15.738;20.3103,3.9204,16.2595;20.3149,3.9379,17.1894;21.3379,4.3656,15.4256;22.1467,4.7204,15.7167;20.9634,4.1956,14.0677;21.6787,4.7173,12.8684;22.259,6.0098,12.9084;22.0982,6.9057,14.0045;21.5677,6.6511,14.7247;22.7056,8.1313,14.0231;22.5848,8.6959,14.7521;23.5111,8.5426,12.947;23.9519,9.3607,12.9831;23.6445,7.7592,11.8718;24.1623,8.0532,11.1575;23.0137,6.4876,11.7944;23.1029,5.7326,10.6334;23.594,6.0567,9.9133;22.4668,4.4937,10.5295;22.4754,3.7546,9.2975;22.9407,4.0902,8.5655;21.8202,2.584,9.1865;21.8059,2.136,8.3716;21.1624,2.0407,10.2912;20.7297,1.2219,10.2051;21.1398,2.6805,11.4884;20.7118,2.2815,12.2113;21.764,3.9607,11.6585;