* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/96/01/94SRC127.mol"
Structure: 1
InChI=1/2C14H30NPSe.C7H8.2ClH.Ti/c2*1-13(2,3)16(17,14(4,5)6)15-12-10-8-7-9-11-12;1-7-5-3-2-4-6-7;;;/h2*12,16H,7-11H2,1-6H3;2-6H,1H3;2*1H;/q2*-2;;;;+6/p-2
AuxInfo=1/1/N:11,15,19,24,28,32,44,41,47,38,50,36,10,23,8,6,2;54,58,62,67,71,75,87,84,90,81,93,79,53,66,9,7,3;107,100,98,102,96,104,106;4;5;1/E:2*(1,2,3,4,5,6)(8,9)(10,11)(13,14);(3,4)(5,6);;;/CRV:2*15-1,17-1;;;;/rA:110nTiSeSeClClPPNNCCHHHCHHHCHHHCCHHHCHHHCHHHCHCHHCHHCHHCHHCHHCCHHHCHHHCHHHCCHHHCHHHCHHHCHCHHCHHCHHCHHCHHCHCHCHCHCHCCHHH/rB:s1;s1;s1;s1;s2;s3;s1s6;s1s7;s6;s10;s11;s11;s11;s10;s15;s15;s15;s10;s19;s19;s19;s6;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s8;s36;s36;s38;s38;s38;s41;s41;s41;s44;s44;s44;s47;s47;s36s47;s50;s50;s7;s53;s54;s54;s54;s53;s58;s58;s58;s53;s62;s62;s62;s7;s66;s67;s67;s67;s66;s71;s71;s71;s66;s75;s75;s75;s9;s79;s79;s81;s81;s81;s84;s84;s84;s87;s87;s87;s90;s90;s79s90;s93;s93;;s96;d96;s98;s98;s100;d100;s102;s102;s104;s96d104;s106;s107;s107;s107;/rC:-.5792,.3949,12.5054;1.4461,1.452,13.8596;-1.0917,2.5742,11.1096;-.5804,-1.4697,13.8904;-2.0441,-.7482,11.1003;2.4391,.5389,12.1703;-2.3289,2.845,12.8665;1.1195,-.0642,11.3914;-1.8897,1.4826,13.6847;3.3744,1.8748,11.1955;4.1631,2.7752,12.1425;4.8472,2.2467,12.6024;3.5544,3.1695,12.8028;4.5958,3.4914,11.6284;4.2994,1.3136,10.1199;3.7992,.6904,9.5538;5.0457,.8401,10.5454;4.6474,2.047,9.5714;2.3171,2.758,10.5362;1.7785,2.2192,9.9195;2.7578,3.4794,10.039;1.7375,3.1437,11.2275;3.5967,-.8057,12.7839;2.8411,-1.6941,13.7663;2.071,-2.0986,13.3162;2.5301,-1.1535,14.5223;3.4366,-2.3999,14.0933;4.7798,-.1653,13.5472;5.3527,.3185,12.9154;5.3011,-.866,13.9914;4.4344,.4597,14.2199;4.1605,-1.7027,11.6639;4.5349,-1.1414,10.9533;3.4406,-2.2588,11.2979;4.8645,-2.2794,12.0293;1.2955,-.9142,10.1793;2.2734,-.9297,9.9757;.8773,-2.3552,10.4399;1.4331,-2.7305,11.1678;-.0675,-2.3741,10.7353;1.0322,-3.2229,9.1937;1.9929,-3.3107,8.9736;.6789,-4.1284,9.3815;.3004,-2.6358,8.014;-.6696,-2.5962,8.2106;.4327,-3.2125,7.219;.8218,-1.2344,7.7232;.3507,-.8608,6.9377;1.7891,-1.2757,7.5143;.5955,-.3237,8.9469;.9554,.5802,8.7591;-.3758,-.2393,9.1248;-4.1552,2.8716,12.3232;-5.1026,3.2074,13.4734;-4.9068,4.1078,13.805;-4.9809,2.5583,14.1988;-6.029,3.1712,13.1545;-4.3576,3.8908,11.1769;-3.6629,3.76,10.4962;-4.2968,4.8016,11.5335;-5.2389,3.7566,10.7704;-4.4714,1.4944,11.7543;-4.269,.8092,12.4266;-3.9262,1.3377,10.9568;-5.4202,1.4496,11.5159;-1.8883,4.4452,13.7793;-.356,4.4831,13.9045;-.0582,3.7548,14.4907;-.0807,5.3422,14.2867;.0463,4.3746,13.0173;-2.4613,4.5657,15.1788;-3.4326,4.4331,15.1482;-2.2642,5.4558,15.5385;-2.0577,3.884,15.7565;-2.2986,5.6452,12.9344;-3.2725,5.7433,12.954;-2.0035,5.5109,12.0082;-1.8817,6.456,13.2951;-2.4627,1.2396,15.0508;-3.0277,2.0315,15.2783;-3.3731,.0069,15.0951;-4.1208,.1274,14.459;-2.8583,-.7919,14.8177;-3.9315,-.21,16.496;-4.5469,.532,16.72;-4.4542,-1.0519,16.509;-2.8398,-.2858,17.5513;-2.2933,-1.0984,17.4022;-3.254,-.3547,18.4465;-1.9479,.9383,17.501;-2.4719,1.7371,17.7608;-1.2095,.8333,18.1511;-1.3696,1.1431,16.1113;-.7675,.3891,15.8937;-.831,1.9747,16.1011;-6.0342,2.6303,17.6167;-5.5923,2.0143,18.1898;-7.077,2.199,16.8047;-7.3483,1.2895,16.8255;-7.7228,3.0989,15.9654;-8.4347,2.8045,15.4119;-7.3245,4.4311,15.9373;-7.7664,5.046,15.3627;-6.2817,4.8623,16.7488;-6.0104,5.7726,16.7306;-5.6373,3.9621,17.5885;-4.4767,4.4228,18.4254;-3.7489,4.7172,17.8417;-4.1657,3.6825,18.988;-4.7612,5.1683,18.9951;