* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/35/01/94src104.mol"
Structure: 1
InChI=1/2C24H27BN4.2C12H13N2.2CHCl3.Co/c2*1-17-23(15-21-11-7-5-8-12-21)19(3)28(26-17)25-29-20(4)24(18(2)27-29)16-22-13-9-6-10-14-22;2*1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11;2*2-1(3)4;/h2*5-14,25H,15-16H2,1-4H3;2*3-7H,8H2,1-2H3;2*1H;/q;;2*-1;;;+2
AuxInfo=1/0/N:43,144,111,86,172,128,137,164,130,142,97,57,152,154,54,132,34,37,62,17,61,49,63,15,122,16,53,8,20;70,124,118,158,59,103,65,135,109,156,78,29,80,74,139,90,32,48,64,13,33,36,47,24,150,12,35,9,21;39,82,174,101,170,99,95,115,22,51,38,52,10,14;25,105,148,162,168,93,76,67,23,19,50,31,11,18;166,2,3,4;176,5,6,7;1/E:2*(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)(28,29);2*(1,2)(4,5)(6,7)(9,10)(13,14);2*(2,3,4);/CRV:;;14-1;13-1;;;/rA:177nCoClClClClClClNNNNN4CNCN4CNCNNCCCCHHHCHCCCCN4CCCCHHHCHHHCCCCCCN4CHHCHCHCCCCCHCHHCHHHCHCHCHCHCHHHCHHHCHHCHCHCHCHCHCHCHHHCHCHHHCHHCHHHBHCHHHCHCHCHHCHCHCHHCHCHHHCHBHCHCHCHCHHHCHCHCHCHCHCHCHCH/rB:;;;;;;;;;s1;s1s9;;s1s10;;s1s8;d15;s11;d18;s17;s13;d10;s11;d13;s23;s25;s25;s25;;s29;s19d23;d12;s29;d16;s1s21;;s15;;s22;s39;s39;s39;s34;s43;s43;s43;s32;s24d35;;;s14;s22d51;s1s20d37;;s54;s54;;s57;;s59;s54d57;s8;s34s54d62;s9d47;d59;s65;s31s50;s67;s67;s32;s70;s70;s70;s36;s74;d50;s76;d33s65;s78;d36;s80;s51;s82;s82;s82;s17;s86;s86;s86;s24s36;s90;s90;s50;s93;s38;s95;s61;s97;d38;s99;s99;s101;;s103;s19;s105;s105;s105;s80d103;s109;s62;s111;s111;s111;s38s52;s115;s115;s64;s118;s118;s118;s8s20;s122;s48;s124;s124;s124;;s128;d128;s130;s15s49;s132;s132;d29s59;s135;d97;s137;s33s47;s139;s139;s128;s142;s37;s144;s144;s144;;s148;s9s21;s150;d49s130;s152;s49d142;s154;d74s103;s156;s13;s158;s158;s158;d93s148;s162;s57;s164;s2s3s4;s166;s76d148;s168;d95;s170;s137d164;s172;d101s170;s174;s5s6s7;s176;/rC:3.4594,.0183,16.9935;8.4042,-6.7778,19.3172;11.2592,-6.6978,19.6862;9.6376,-4.612,20.8196;-3.4303,5.4541,12.5164;-.8377,4.6493,13.1254;-1.8194,6.9275,14.3889;4.1267,1.206,19.6769;4.9653,-1.8256,15.0888;1.8887,1.9146,18.7904;2.1442,-.5993,15.4211;4.6955,-1.6527,16.4481;5.3332,1.4085,13.434;2.2197,1.7244,17.4681;1.2677,-2.4292,19.922;4.7474,.6419,18.5635;1.4969,-1.222,20.5569;2.7165,-1.0358,14.2414;1.7614,-1.5915,13.4481;2.18,-.4141,19.7076;4.7102,.5398,14.2784;.9926,2.927,18.916;.8319,-.8683,15.3276;5.5542,2.5924,14.1171;-.1289,-.5375,16.4421;-.1381,-1.2697,17.0934;-1.0287,-.4174,16.0728;.1559,.2895,16.8842;9.4627,-5.0365,15.9436;9.1802,-5.7771,15.4198;.5504,-1.5052,14.1174;5.4099,-2.5991,17.0805;8.5106,-4.2135,16.5361;6.0611,.9444,18.6706;4.5157,1.1406,15.5094;5.2695,4.9001,13.0347;1.884,-2.3092,18.6484;-1.6511,4.1291,17.0283;.412,3.3371,20.2262;-.3164,2.727,20.466;.0639,4.2506,20.1577;1.107,3.3033,20.9163;7.0308,.4458,17.6472;7.5967,-.2488,18.0445;7.5919,1.1881,17.3399;6.5393,.0712,16.8867;6.1277,-3.3614,16.1564;5.0157,2.407,15.397;1.5026,-4.6829,21.0816;-1.8941,-1.0374,13.5255;1.5023,2.6157,16.7685;.7164,3.4108,17.6425;2.4147,-1.0807,18.5261;7.6584,2.2684,20.237;7.9524,2.9339,19.5656;7.5503,2.7403,21.1005;8.4952,.0851,21.1627;7.655,-.0243,21.5924;11.2517,-3.7143,16.8748;12.1797,-3.5573,17.004;8.7373,1.2187,20.3872;5.0574,1.8907,20.4182;6.3092,1.7078,19.8128;5.8339,-2.8505,14.9305;10.3058,-2.8685,17.4526;10.5894,-2.1152,17.9571;-.7865,-2.0407,13.6391;-.6539,-2.4587,12.7515;-1.0761,-2.7538,14.2618;5.3857,-2.7077,18.5829;6.2269,-2.363,18.9489;5.2778,-3.647,18.8408;4.6367,-2.1838,18.9363;3.9154,4.6532,12.7933;3.5554,3.7986,12.9995;-1.6924,.2228,12.971;-.818,.4697,12.6934;8.9508,-3.1241,17.2927;8.3142,-2.5507,17.7031;5.7385,6.17,12.7384;6.6532,6.3694,12.8995;1.567,2.7039,15.2768;2.2233,2.059,14.9395;1.8342,3.6095,15.0144;.6857,2.501,14.899;1.0616,-.7808,21.9211;1.8504,-.6292,22.4826;.5013,-1.4755,22.3258;.5485,.0508,21.8473;6.1945,3.844,13.5838;6.8256,3.5849,12.8664;6.7278,4.2508,14.3121;-3.1805,-1.3412,13.967;-3.3558,-2.1875,14.3614;-2.6877,5.0362,17.2952;-2.4817,5.8779,17.6846;9.9656,1.3552,19.7556;10.1486,2.1238,19.228;-1.9849,2.9053,16.4701;-1.3012,2.2711,16.2889;-3.287,2.5973,16.1757;-3.497,1.7543,15.7912;3.5946,6.8762,11.9469;3.037,7.5349,11.5499;2.0813,-2.1873,12.1028;2.5038,-1.5079,11.5368;1.2545,-2.498,11.6782;2.6937,-2.9436,12.2178;4.9196,7.1614,12.2145;5.2674,8.0284,12.0417;4.7194,2.6344,21.65;4.0823,3.3477,21.4364;5.5338,3.0265,22.0287;4.3181,2.0222,22.3015;-.2062,4.5272,17.2931;.1451,4.9815,16.4866;-.1944,5.1849,18.033;6.3128,-3.2774,13.5749;5.5425,-3.4195,12.986;6.8205,-4.1118,13.6556;6.8885,-2.58,13.1972;2.6142,1.0567,19.8656;2.3598,1.3818,20.7765;4.9514,3.3934,16.5307;4.0893,3.859,16.5101;5.6771,4.0455,16.438;5.0459,2.9185,17.3827;3.1947,-6.5652,22.195;3.7737,-7.2172,22.5721;2.455,-6.8942,21.1053;2.523,-7.7637,20.7287;.5702,-3.6509,20.4751;.055,-4.0789,19.746;-.0752,-3.3611,21.1676;10.8197,-4.792,16.1061;11.4561,-5.3623,15.6911;10.928,.3597,19.8995;11.7666,.4474,19.4618;7.0306,-4.5303,16.4404;6.902,-5.2038,15.7263;6.7451,-4.9443,17.2932;3.1323,-5.3221,22.768;3.6591,-5.105,23.5281;1.9978,-3.3119,17.5704;1.832,-2.8819,16.7055;1.338,-4.0222,17.7139;2.8989,-3.6971,17.5763;-3.9918,.8126,13.2442;-4.7056,1.4305,13.1386;4.2528,-.9151,14.0643;4.5005,-1.2045,13.1397;1.6084,-5.9679,20.5489;1.0875,-6.2051,19.7907;2.2667,-4.3829,22.1963;2.2018,-3.5176,22.5829;3.0816,5.6314,12.2573;2.1628,5.4434,12.1056;5.6448,1.057,12.0042;6.1713,.2309,11.9782;6.1574,1.7842,11.5933;4.8085,.9271,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