* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/56/01/04src0437r_single.mol" Structure: 1 InChI=1/2C15H29P.2ClH.Fe.Pd/c2*1-9(2)16(10(3)4)15-13(7)11(5)12(6)14(15)8;;;;/h2*9-10,13-14,16H,1-8H3;2*1H;;/q2*+1;;;;/p-2 AuxInfo=1/1/N:45,49,55,59,15,19,11,23,43,53,3,4,2,5,1,83;65,69,75,79,31,35,27,39,63,73,8,9,7,10,6,84;85;86;87;88/E:2*(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14);;;;/CRV:2*15.3,16+1;;;;/rA:88nCCCCCCCCCCCHHHCHHHCHHHCHHHCHHHCHHHCHHHCHHHCHCHHHCHHHCHCHHHCHHHCHCHHHCHHHCHCHHHCHHHPPClClFePd/rB:s1;s2;d3;s1s4;;s6;s7;d8;s6s9;s2;s11;s11;s11;s3;s15;s15;s15;s4;s19;s19;s19;s5;s23;s23;s23;s7;s27;s27;s27;s8;s31;s31;s31;s9;s35;s35;s35;s10;s39;s39;s39;;s43;s43;s45;s45;s45;s43;s49;s49;s49;;s53;s53;s55;s55;s55;s53;s59;s59;s59;;s63;s63;s65;s65;s65;s63;s69;s69;s69;;s73;s73;s75;s75;s75;s73;s79;s79;s79;s1s43s53;s6s63s73;;;s1s6;s83s84s85s86;/rC:2.4588,5.7332,26.2609;1.8765,6.1136,27.5324;.7231,6.9136,27.2484;.578,7.0241,25.8403;1.6457,6.3192,25.2175;.6388,3.0472,26.1381;.0845,3.3744,27.4387;-1.0907,4.1647,27.2151;-1.2816,4.3116,25.8191;-.2225,3.6548,25.1416;2.3171,5.8394,28.9362;2.8847,6.5742,29.2499;2.8242,5.0012,28.9616;1.531,5.7633,29.5164;-.1324,7.5896,28.2727;.2101,8.4923,28.4402;-.1142,7.0735,29.1056;-1.0537,7.6456,27.9432;-.518,7.7569,25.1284;-1.3083,7.804,25.7061;-.7454,7.2818,24.302;-.2173,8.664,24.9116;1.8949,6.31,23.7387;1.0392,6.3528,23.263;2.3651,5.4863,23.4918;2.4433,7.0847,23.4951;.5366,3.0071,28.8113;.3778,3.7589,29.4197;1.4937,2.797,28.7947;.0356,2.2242,29.1218;-2.0049,4.6991,28.2753;-2.4669,5.4947,27.9376;-1.4811,4.9377,29.0685;-2.6646,4.0146,28.5132;-2.4527,4.9714,25.1609;-3.178,4.3208,25.0564;-2.1857,5.3073,24.2798;-2.7611,5.7183,25.7154;-.1166,3.5537,23.6516;-.6746,2.8133,23.334;.8165,3.3904,23.4007;-.4226,4.3911,23.2448;5.0057,6.2484,25.1293;4.6765,6.394,24.1963;4.7843,7.5765,25.8639;5.0863,7.4906,26.7923;3.8308,7.8024,25.8502;5.2943,8.2851,25.4187;6.4921,5.9403,25.003;6.9126,6.597,24.4095;6.6089,5.0414,24.6305;6.9112,5.9841,25.8878;4.8379,4.2286,27.3334;4.1507,3.7309,27.8626;5.9277,3.2137,26.9776;6.7084,3.685,26.6188;5.5853,2.5893,26.3043;6.1868,2.7172,27.7818;5.4361,5.276,28.2781;5.6102,4.8667,29.1513;4.8047,6.0179,28.3851;6.2758,5.6134,27.9021;1.0873,.6812,24.6239;.9455,1.0649,23.7113;-.3127,.3621,25.1588;-.785,-.2092,24.5177;-.8126,1.1957,25.2836;-.2359,-.1044,26.0173;1.8956,-.6078,24.4092;1.8904,-1.1378,25.2335;2.819,-.379,24.1739;1.4931,-1.1288,23.6833;2.7518,1.1317,27.0373;3.023,1.8502,27.6778;4.0396,.3612,26.6798;4.6217,.3151,27.4668;4.5072,.8252,25.9543;3.8078,-.5463,26.3913;1.8001,.2078,27.8047;1.7245,-.6479,27.333;.9162,.6266,27.8652;2.151,.0537,28.7067;3.9843,4.8415,25.8181;2.0124,1.9888,25.5798;4.9776,4.1876,22.727;3.1143,1.6819,22.4893;.5632,5.0503,26.3846;3.532,3.1605,24.2684;