* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/09/01/2005src1385.mol" Structure: 1 InChI=1/2C17H13BrP.2CH4.2Cl2.4ClH.Fe.Pd.H2/c2*18-16-12-7-13-17(16)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15;;;2*1-2;;;;;;;/h2*1-13H;2*1H4;;;4*1H;;;1H AuxInfo=1/1/N:22,33,20,24,31,35,5,18,26,29,37,3,7,17,28,2,1,62,67;44,55,42,46,53,57,13,40,48,51,59,11,15,39,50,10,9,63,68;69;74;72,76;73,77;64;65;71;78;61;66;70/E:2*(1,2)(3,4,5,6)(8,9,10,11)(14,15);;;2*(1,2);;;;;;;/CRV:2*16.3;;;;;;;;;;;/rA:78nCCCHCHCHCCCHCHCHCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHFeBrBrClClPdPPCHClClClCHClClCl/rB:s1;s2;s3;d3;s5;d1s5;s7;;s9;s10;s11;d11;s13;d9s13;s15;;d17;s18;s18;s20;d20;s22;s22;s24;s17d24;s26;;d28;s29;s29;s31;d31;s33;s33;s35;s28d35;s37;;d39;s40;s40;s42;d42;s44;s44;s46;s39d46;s48;;d50;s51;s51;s53;d53;s55;s55;s57;s50d57;s59;s2s10;s2;s10;;;s64s65;s1s17s28s66;s9s39s50s66;;;;;;;s69;s72;s73;;/rC:4.3963,1.8211,2.6582;5.5031,2.1087,3.5339;6.7131,1.7303,2.8943;7.5883,1.8102,3.2552;6.3785,1.2151,1.627;6.9969,.8851,.9858;4.9798,1.2671,1.462;4.5015,.9843,.6915;4.3282,-.9206,4.4078;4.4215,-1.5725,3.1363;5.7937,-1.8467,2.853;6.1299,-2.2702,2.0719;6.5587,-1.3787,3.9354;7.5046,-1.4278,4.0087;5.6761,-.8176,4.9055;5.9335,-.44,5.7383;2.0399,2.1786,1.1403;1.7315,1.0072,.4664;1.8302,.175,.9137;1.2862,1.0218,-.8338;1.1017,.2035,-1.2799;1.1086,2.2028,-1.4846;.7961,2.2165,-2.3816;1.3901,3.3854,-.8205;1.2558,4.2148,-1.2637;1.8651,3.3755,.4826;2.0696,4.1933,.9206;2.5952,3.8406,3.4709;3.5833,4.7273,3.0374;4.2544,4.4271,2.4358;3.5931,6.0378,3.476;4.2737,6.6316,3.1816;2.6197,6.4829,4.3375;2.6326,7.3816,4.6453;1.6211,5.6227,4.7567;.942,5.9357,5.3427;1.6075,4.3015,4.3236;.9192,3.7144,4.6134;2.3287,-2.0515,6.0297;2.8038,-3.2715,5.5588;3.37,-3.298,4.7964;2.4523,-4.4462,6.2001;2.7613,-5.2764,5.8571;1.6616,-4.4313,7.3277;1.4412,-5.243,7.7693;1.1944,-3.2313,7.8082;.6584,-3.2126,8.5924;1.5016,-2.0473,7.1537;1.1459,-1.2265,7.4735;3.2361,.5581,6.6916;2.7295,1.8476,6.7891;2.1603,2.1835,6.1067;3.0497,2.6515,7.8794;2.7166,3.5396,7.9318;3.8533,2.1523,8.8836;4.0851,2.7013,9.6235;4.3197,.8572,8.8137;4.8523,.5111,9.5202;4.0211,.0558,7.7263;4.3505,-.8343,7.6856;5.436,.1494,3.1245;5.4734,2.9074,5.2289;2.9658,-2.1307,2.08;-.4609,1.9209,2.993;-.4253,-.6474,4.9886;1.2376,.6707,4.0157;2.6101,2.1145,2.8773;2.7893,-.4628,5.2459;5.4627,-6.2441,1.8592;5.9804,-6.9384,2.3592;4.2606,-5.6591,2.8964;4.8024,-6.9999,.4515;6.5997,-4.9933,1.3561;5.4034,-6.2053,1.894;5.6726,-7.1674,1.9372;5.4995,-5.6143,.3149;6.4597,-5.2194,2.834;3.8846,-5.9399,2.7002;