* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/14/01/01SRC003.mol" Structure: 1 InChI=1/3C19H14ClN2PS.3CH3.3ClH.3Pd/c3*20-14-11-12-17-18(13-14)24-19(21-17)22-23(15-7-3-1-4-8-15)16-9-5-2-6-10-16;;;;;;;;;/h3*1-13H,(H,21,22);3*1H3;3*1H;;; AuxInfo=1/1/N:24,35,22,26,33,37,20,28,31,39,10,12,16,9,19,30,14,15,18,2,6,7,5,4;68,79,66,70,77,81,64,72,75,83,54,56,60,53,63,74,58,59,62,46,50,51,49,48;112,123,110,114,121,125,108,116,119,127,98,100,104,97,107,118,102,103,106,90,94,95,93,92;41;85;129;3;47;91;1;45;89/E:3*(1,2)(3,4,5,6)(7,8,9,10)(15,16);;;;;;;;;/CRV:;;;3*1.3;;;;;;/rA:132nPdClClSPN4NHCCHCHCCCHCCCHCHCHCHCHCCHCHCHCHCHCHHHPdClClSPN4NHCCHCHCCCHCCCHCHCHCHCHCCHCHCHCHCHCHHHPdClClSPN4NHCCHCHCCCHCCCHCHCHCHCHCCHCHCHCHCHCHHH/rB:;s1;;s1;s1;s5;s7;s2;s9;s10;d10;s12;s6s12;s4d14;d9s15;s16;s4d6s7;s5;s19;s20;d20;s22;s22;s24;d24;s26;d19s26;s28;s5;d30;s31;s31;s33;d33;s35;s35;s37;s30d37;s39;s1;s41;s41;s41;;;s45;;s45;s45;s49;s51;s46;d53;s54;s54;s56;s50d56;s48s58;s53d59;s60;s48d50s51;s49;d63;s64;s64;s66;d66;s68;s68;s70;s63d70;s72;s49;s74;s75;d75;s77;s77;s79;d79;s81;d74s81;s83;s45;s85;s85;s85;;;s89;;s89;s89;s93;s95;s90;d97;s98;s98;s100;s94d100;s92s102;s97d103;s104;s92d94s95;s93;d107;s108;s108;s110;d110;s112;s112;s114;s107d114;s116;s93;d118;s119;s119;s121;d121;s123;s123;s125;s118d125;s127;s89;s129;s129;s129;/rC:-8.0206,8.705,1.8562;-15.7372,8.9654,2.0202;-8.8722,6.5149,1.5045;-11.1998,12.0561,1.7794;-7.1784,10.687,2.1358;-9.9156,9.7945,1.8089;-8.5249,11.6714,1.8409;-8.4297,12.5377,1.7189;-14.0238,9.1797,1.9221;-13.1958,8.056,1.9471;-13.5778,7.1889,2.0001;-11.8255,8.1954,1.8936;-11.2627,7.4307,1.8912;-11.2773,9.4904,1.8441;-12.1362,10.5731,1.8342;-13.5057,10.4608,1.8557;-14.0675,11.2255,1.8244;-9.7433,11.0977,1.7977;-6.6284,11.1395,3.7989;-7.4897,11.6853,4.716;-8.383,11.8837,4.4608;-7.067,11.9517,6.0173;-7.6679,12.3386,6.6437;-5.782,11.6517,6.3899;-5.497,11.814,7.2834;-4.9116,11.1231,5.4882;-4.0165,10.9386,5.7473;-5.3264,10.8534,4.1929;-4.7175,10.4706,3.5714;-5.8985,11.3239,1.0451;-5.5119,10.6206,-.0742;-5.9037,9.7756,-.2601;-4.5757,11.1263,-.9108;-4.3305,10.6272,-1.6803;-3.9728,12.3328,-.6834;-3.3037,12.6599,-1.2725;-4.3552,13.059,.4127;-3.9635,13.9081,.5765;-5.3068,12.5672,1.2802;-5.5619,13.0754,2.0423;-6.1553,7.8921,1.9871;-6.2136,6.9184,1.8876;-5.7628,8.1085,2.8578;-5.5888,8.2577,1.276;.0408,4.2877,3.848;7.7348,4.8977,4.3451;.9483,2.1216,4.1472;3.0551,7.7365,4.4274;-.8607,6.2598,3.6076;1.8736,5.4275,4.1669;.4382,7.2561,4.0055;.3195,8.1241,4.0917;5.9997,5.0062,4.3992;5.2355,3.8522,4.2987;5.672,3.0096,4.2498;3.8625,3.9022,4.2667;3.3447,3.1072,4.2147;3.2471,5.162,4.3142;4.0387,6.3086,4.4372;5.4164,6.2488,4.4871;5.9431,7.0356,4.5803;1.6547,6.7201,4.1918;-1.3142,6.7635,1.9305;-.8118,6.0488,.8595;-.2891,5.2726,1.0194;-1.0599,6.4471,-.4383;-.7085,5.9537,-1.1706;-1.8238,7.5757,-.6566;-1.9996,7.8585,-1.5467;-2.3393,8.2954,.3958;-2.8595,9.0732,.232;-2.0943,7.8847,1.682;-2.4619,8.3716,2.4079;-2.1847,6.8701,4.6551;-1.9398,7.8044,5.6658;-1.0652,8.1593,5.7789;-2.9686,8.2151,6.5013;-2.7975,8.8478,7.1885;-4.2263,7.7134,6.3372;-4.9274,8.0044,6.9073;-4.4829,6.8004,5.3628;-5.3611,6.4488,5.2657;-3.4759,6.3799,4.5114;-3.6681,5.7521,3.8245;-1.7472,3.4047,3.441;-1.6454,2.4302,3.48;-2.0446,3.6678,2.545;-2.4102,3.6899,4.1022;5.6931,5.4432,7.8753;-2.0318,4.7839,7.5126;4.7836,7.6216,7.6153;2.659,1.9682,7.5945;6.601,3.4815,8.1967;3.8218,4.2874,7.7777;5.2829,2.4572,7.9742;5.3906,1.5835,7.9759;-.3001,4.694,7.5299;.4725,5.8537,7.63;.039,6.6979,7.6701;1.8489,5.8021,7.6719;2.3678,6.5963,7.7123;2.4595,4.5366,7.6539;1.6682,3.3924,7.5502;.3051,3.4424,7.4789;-.212,2.6498,7.3959;4.0443,3.0014,7.7896;7.1531,3.1752,9.9044;8.1319,2.254,10.2151;8.5801,1.7712,9.5296;8.4455,2.0482,11.5572;9.1347,1.436,11.7864;7.7889,2.7047,12.5404;8.003,2.531,13.4491;6.8036,3.6276,12.2311;6.3338,4.0817,12.9218;6.5176,3.8768,10.9094;5.8743,4.5391,10.6861;7.8631,2.7498,7.1365;7.554,1.7794,6.1835;6.6607,1.4647,6.1129;8.5129,1.2737,5.3515;8.2852,.6131,4.7068;9.831,1.7343,5.4552;10.5005,1.4122,4.8615;10.1447,2.64,6.4039;11.0426,2.9326,6.4925;9.1762,3.1482,7.2483;9.419,3.7809,7.9127;7.5232,6.3086,7.9977;7.4348,7.2774,7.881;8.1037,5.9472,7.294;7.915,6.1193,8.8758;