* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/59/01/96SRC064.mol" Structure: 1 InChI=1/2C13H22N3O2.Cd.4HI/c2*1-12(2)13(3,4)16(18)11(15(12)17)10-6-8-14(5)9-7-10;;;;;/h2*6-9,11,17-18H,1-5H3;;4*1H/q;;+4;;;;/p-4 AuxInfo=1/1/N:31,35,40,44,16,22,25,20,27,24,29,30,39,10,11,12,6,7;63,67,72,76,48,54,57,52,59,56,61,62,71,13,14,15,8,9;1;2;3;4;5/E:2*(1,2,3,4)(6,7)(8,9)(12,13)(15,16)(17,18);;;;;/CRV:2*14.4;;;;;/rA:79nCdIIIIOOOON4NNN4NNCHHHCHCHCCHCHCCCHHHCHHHCCHHHCHHHCHHHCHCHCCHCHCCCHHHCHHHCCHHHCHHH/rB:s1;s1;s1;s1;;;;;;s6;s7;;s8;s9;s10;s16;s16;s16;d10;s20;s20;s22;d22;s24;s25;s10d25;s27;s11s12s24;s11;s30;s31;s31;s31;s30;s35;s35;s35;s12s30;s39;s40;s40;s40;s39;s44;s44;s44;s13;s48;s48;s48;s13;s52;d52;s54;s54;d56;s57;d13s57;s59;s14s15s56;s14;s62;s63;s63;s63;s62;s67;s67;s67;s15s62;s71;s72;s72;s72;s71;s76;s76;s76;/rC:9.3974,2.8963,9.605;10.3967,.7092,8.1911;11.523,4.3375,10.6385;7.7804,1.8645,11.6354;8.0289,4.5345,7.8153;7.0267,-2.4734,11.0901;5.2791,-3.054,15.3453;12.6402,1.3044,13.7984;8.5474,-.8748,14.1328;4.0291,1.2387,12.8085;6.736,-3.0184,12.2093;5.932,-3.2784,14.2399;11.4742,-2.1518,10.1253;11.4789,.9488,14.1966;9.5366,-.0629,14.3384;3.3537,2.5573,12.6282;2.4742,2.5215,13.0116;3.2867,2.7571,11.6916;3.8656,3.2416,13.0656;4.0458,.3834,11.7492;3.6285,.6152,10.951;4.6886,-.8308,11.8731;4.7273,-1.4066,11.1437;5.2802,-1.2049,13.0764;5.1908,-.3033,14.1373;5.572,-.5204,14.9574;4.5488,.8968,13.9873;4.4754,1.4762,14.7112;5.9791,-2.4725,13.1649;7.1203,-4.4477,12.5469;6.1924,-5.2988,11.7208;6.3923,-6.2261,11.8682;6.3094,-5.09,10.7909;5.2839,-5.1228,11.9763;8.5071,-4.7309,12.1723;8.7183,-5.6413,12.392;9.0946,-4.1416,12.6509;8.6175,-4.5956,11.2283;6.8302,-4.4837,14.103;8.0388,-4.209,14.9607;8.6131,-4.9782,14.9601;7.7574,-4.0203,15.8589;8.5155,-3.4534,14.6094;6.081,-5.7125,14.5685;5.8991,-5.6395,15.5082;6.6149,-6.4936,14.4056;5.2536,-5.7843,14.0868;11.7375,-2.8601,8.8153;12.677,-3.0391,8.7313;11.4516,-2.3035,8.0873;11.2512,-3.6877,8.7955;12.4878,-1.5386,10.7922;13.3546,-1.6163,10.4642;12.2763,-.8212,11.915;12.9831,-.4207,12.3677;10.953,-.6968,12.3807;9.9434,-1.3275,11.6883;9.0704,-1.2883,12.0063;10.219,-2.0155,10.5277;9.5266,-2.3834,10.0278;10.6648,.0138,13.6021;10.8364,1.617,15.3543;11.8081,1.6797,16.4839;11.3658,2.0126,17.2682;12.5317,2.2663,16.2513;12.1523,.8009,16.6592;10.4987,3.0817,14.8933;10.0184,3.534,15.5906;9.9585,3.051,14.1003;11.3135,3.5543,14.7073;9.5597,.779,15.5853;8.2339,1.5754,15.6809;8.3007,2.2247,16.3848;7.5112,.9723,15.8695;8.0685,2.0225,14.8477;9.663,-.1835,16.7692;9.7486,.3185,17.5832;10.4327,-.7463,16.6578;8.8726,-.7267,16.8098;