* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/49/01/02src555s.mol" Structure: 1 InChI=1/C21H20NO3P.C12H10P.Cl2.ClH.Pd/c1-22(20-18(21(24)25)13-8-14-19(20)23)15-26(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2;;/h2-14,23H,15H2,1H3,(H,24,25);1-10H;;1H;/q;-1;;;/p+1 AuxInfo=1/1/N:67,15,26,13,17,24,28,58,11,19,22,30,60,56,64,10,21,62,55,54,63,5,6,7,9,3;37,48,35,39,46,50,33,41,44,52,32,43,4;70,71;2;1/E:(2,3)(4,5,6,7)(9,10,11,12)(16,17)(24,25);(1,2)(3,4,5,6)(7,8,9,10)(11,12);(1,2);;/CRV:;13-1;;;/rA:72nPdClPPNOOHOCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHCCCHCHCHCCCHHCHHClClH/rB:;s1;s1;;;;s7;;s3;d10;s11;s11;s13;d13;s15;s15;s17;s10d17;s19;s3;d21;s22;s22;s24;d24;s26;s26;s28;s21d28;s30;s4;d32;s33;s33;s35;d35;s37;s37;s39;s32d39;s41;s4;s43;s44;d44;s46;s46;s48;d48;s50;d43s50;s52;s5;s6d54;s55;s56;d56;s58;s58;s60;s54d60;s7d9s62;s3s5;s64;s64;s5;s67;s67;;s70;s6;/rC:16.894,0,11.007;20.6167,-4.7243,13.7587;16.2856,.6306,13.1926;18.8095,1.3545,11.027;15.5651,-2.0056,13.5052;17.9494,-3.2148,13.5013;13.4899,-1.9007,15.3803;12.7163,-1.5737,15.3941;12.3932,-3.8032,15.447;14.6876,1.5129,13.1016;14.3387,2.1914,11.9671;14.9371,2.2039,11.2294;13.1292,2.8614,11.8722;12.9034,3.3255,11.0746;12.2727,2.8531,12.9156;11.4382,3.3019,12.8473;12.6129,2.1825,14.1018;12.0114,2.1859,14.8371;13.8072,1.5248,14.2011;14.0418,1.0786,15.0063;17.2588,1.6627,14.3623;16.8402,2.9616,14.6434;16.0816,3.3389,14.2137;17.5723,3.6821,15.5735;17.2868,4.5611,15.7933;18.6911,3.1827,16.1912;19.1792,3.7118,16.8111;19.0757,1.9526,15.9069;19.8407,1.5926,16.3401;18.3794,1.1672,14.9797;18.6834,.2901,14.778;20.2393,.6221,11.8811;21.4854,1.1513,11.7018;21.6216,1.8934,11.1246;22.5234,.5891,12.3698;23.4007,.9293,12.2392;22.3278,-.4738,13.2406;23.0686,-.817,13.7264;21.0895,-1.0421,13.4174;20.9626,-1.7734,14.0103;20.0277,-.5053,12.6948;19.1647,-.8985,12.751;18.5305,3.0158,11.7156;19.4478,3.6169,12.6086;20.1958,3.1229,12.9233;19.2589,4.9195,13.0239;19.8882,5.3297,13.6055;18.1611,5.6203,12.5952;18.018,6.5076,12.903;17.2419,5.0319,11.6995;16.4902,5.5236,11.3903;17.4477,3.7408,11.2805;16.8302,3.3415,10.679;15.7016,-3.2639,14.1453;16.962,-3.93,14.0402;17.0778,-5.2406,14.4819;17.9028,-5.7035,14.3941;15.9693,-5.8772,15.0585;16.0365,-6.788,15.3202;14.7888,-5.2042,15.2505;14.0562,-5.6332,15.677;14.6755,-3.896,14.8173;13.412,-3.2088,15.2124;16.0934,-.8898,14.2307;16.9763,-1.138,14.6034;15.4916,-.6864,14.9901;14.3853,-1.7605,12.6871;13.8614,-1.0065,13.0573;13.8085,-2.5648,12.6667;11.4203,0,16.5105;10.8103,.9626,17.3895;18.697,-3.5977,13.5036;