* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/69/01/2005src0319sq.mol"
Structure: 1
InChI=1/2C43H47N23.Cl2.ClHO3.10ClHO2.6ClHO.5Mn.H2O4.11O2.21H2O/c2*44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25;1-2;1-3-4-2;10*1-3-2;6*1-2;;;;;;1-3-4-2;11*1-2;;;;;;;;;;;;;;;;;;;;;/h2*1-23,36-43H,44-51H2;;2H;10*2H;6*2H;;;;;;1-2H;;;;;;;;;;;;21*1H2/q2*-8;;;;;;;;;;;;;;;;;;;2*+2;3*+4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t36?,37?,38?,39?,40-,41?,42-,43?;36?,37?,38?,39?,40-,41?,42-,43-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11......................................................../s1
AuxInfo=1/0/N:171,115,173,113,163,123,153,133,143,169,117,165,121,161,125,155,131,151,135,145,141,175,111,168,119,167,120,160,127,157,130,150,137,147,140,159,128,158,129,149,138,148,139,211,179,206,184,202,188,197,193,215,177,214,178,205,187,196,210,182,209,183,201,191,200,192;10,66,8,68,18,58,28,48,38,12,64,16,60,20,56,26,50,30,46,36,40,6,70,14,63,15,62,22,55,25,52,32,45,35,42,23,54,24,53,33,44,34,43,74,106,79,101,83,97,88,92,72,110,73,109,82,100,91,77,105,78,104,86,96,87,95;265,270;280,274,273,279;230,229,224;235,233,238;250,247,242;260,256,251;255,254,259;290,288,283;285,284,289;295,292,297;300,298,293;310,306,301;220,218;225,228;240,232;245,246;275,277;305,307;1;5;2;3;4;234,236,239,231;222,227;243,248;244,249;252,257;253,258;261,266;262,267;264,269;291,296;294,299;304,308;216;217;219;221;223;226;237;241;263;268;271;272;276;278;281;282;286;287;302;303;309/E:2*(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)(54,55)(56,57)(59,60)(61,62)(63,64)(65,66);(1,2);;;;;;;;;;;;;;;;;;;;;;;(1,2)(3,4);11*(1,2);;;;;;;;;;;;;;;;;;;;;/it:2im;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:2*59-1,60-1,61-1,62-1,63-1,64-1,65-1,66-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:310nMnMnMnMnMnCHCHCHCHCCCHCHCHCCCCCHCHCHCCCCCHCHCHCCCCCHCHCHCCCCCHCHCHCCCHCHCHCHN4N4NHHNNNHHN4NHHNNNHHN4NHHNNNHHN4NHHNNNHHN4N4CHCHCHCHCCCHCHCHCCCCCHCHCHCCCCCHCHCHCCCCCHCHCHCCCCCHCHCHCCCHCHCHCHN4N4NHHNNNHHN4NHHNNNHHN4NHHNNNHHN4NHHNNNHHN4N4OOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOClOOOOCl/rB:;;;;;s6;s6;s8;d8;s10;s10;s12;d12;s14;s15;s16;d16;s18;s18;s20;d20;s22;;s24;s25;s26;d26;s28;s28;s30;d30;s32;;s34;s35;s36;d36;s38;s38;s40;d40;s42;;s44;d45;s46;s46;s48;d48;s50;s50;s52;;s54;s55;s56;d56;s58;s58;s60;d60;s62;s63;s64;d64;s66;s66;s68;d68;s70;s1d6s14;s1d15s22;s23;s74;s74;s1s23;s2s24s77;s24;s79;s79;s2d25s32;s33;s83;s83;s2s33;s3s34s86;s34;s88;s88;s3d35s42;s43;s92;s92;s3s43;s4s44s95;s44;s97;s97;s4s45d52;s53;s101;s101;s4s53;s5s54s104;s54;s106;s106;s5d55s62;s5d63s70;;s111;s111;s113;d113;s115;s115;s117;d117;s119;s120;s121;d121;s123;s123;s125;d125;s127;;s129;s130;s131;d131;s133;s133;s135;d135;s137;;s139;s140;s141;d141;s143;s143;s145;d145;s147;;s149;s150;s151;d151;s153;s153;s155;d155;s157;;s159;d160;s161;s161;s163;d163;s165;s165;s167;d168;s169;s169;s171;d171;s173;s173;s175;s1d111s119;s1d120s127;s128;s179;s179;s1s128;s2s129s182;s129;s184;s184;s2d130s137;s138;s188;s188;s2s138;s3s139s191;s139;s193;s193;s3d140s147;s148;s197;s197;s3s148;s4s149s200;s149;s202;s202;s4d150s157;s158;s206;s206;s4s158;s5s159s209;s159;s211;s211;s5s160d167;s5s168d175;;;;;s218;;;;;;;d222;s225;s224;s224;;;;;;s231;;s233s235;s231s234;s232;;;;;;s245;s242;d243;d244;s242;;;;;;s251;d252;d253;s254s255;s251;;;;;;d261;d262;;d264;s265;;;;;;;s275;;s273s274;s273;;;;;;;;s283;s284s285;s283;;;;;;d291;s292s295;s293;d294;s293;;;;;;s301;s305;d304;;s301;/rC:13.7402,12.4953,9.4631;16.2263,12.1253,5.6428;19.1029,11.7358,2.0516;22.1709,11.2506,-1.4001;25.3498,10.5697,-4.513;14.0573,11.4276,12.467;14.7501,12.0765,12.4999;13.7398,10.6807,13.6269;14.2014,10.8239,14.4454;12.8071,9.8047,13.5364;12.611,9.268,14.2932;12.0899,9.6137,12.4012;11.3819,8.979,12.3765;12.4055,10.3556,11.2865;11.8138,10.0988,9.8757;10.8559,9.1777,9.5837;10.5535,8.583,10.2623;10.3462,9.1003,8.3826;9.5849,8.5546,8.2263;10.9198,9.8215,7.3338;10.6456,9.6899,6.4371;11.918,10.7477,7.6669;12.6769,11.5889,6.688;14.4171,14.4813,6.7538;15.6948,15.116,6.2438;15.9423,16.4435,6.3055;15.2454,17.0266,6.5852;17.1364,16.966,5.9846;17.289,17.9013,6.034;18.1575,16.0823,5.5692;19.0161,16.4138,5.3348;17.8899,14.7419,5.5116;18.8305,13.6646,5.0468;19.1817,10.3336,4.8988;19.4125,9.2641,3.8623;19.5682,7.9186,4.2818;19.6014,7.6606,5.1949;19.6715,7.0245,3.2453;19.7064,6.0983,3.4551;19.7216,7.3935,1.925;19.8445,6.7459,1.2422;19.5907,8.7223,1.6247;19.6273,9.2525,.2344;19.1835,12.0559,-1.5548;19.8062,12.8854,-2.616;19.1285,13.7872,-3.4345;18.1879,13.8956,-3.4263;19.9656,14.5045,-4.2653;19.5717,15.1663,-4.8206;21.2751,14.3406,-4.3435;21.789,14.8489,-4.9605;21.8619,13.4569,-3.5455;23.3136,13.1628,-3.562;25.758,11.7153,-1.7399;26.9349,10.8342,-1.855;27.9331,10.6471,-.9296;27.9562,11.1528,-.1234;28.9209,9.6834,-1.2093;29.6792,9.5892,-.6458;28.7707,8.9119,-2.2705;29.4133,8.2359,-2.4556;27.687,9.0822,-3.1137;27.6005,8.3766,-4.4628;28.3941,7.2942,-4.8083;29.0472,6.9458,-4.2119;28.1926,6.7639,-6.0134;28.7413,6.0376,-6.2849;27.2355,7.2116,-6.8854;27.147,6.8671,-7.7656;26.3866,8.2346,-6.3713;25.6141,8.4862,-6.8649;13.4178,11.2354,11.3646;12.2972,10.8896,8.9543;12.5726,11.2715,5.3965;12.9716,11.7669,4.7877;12.1054,10.5658,5.1538;13.3034,12.5655,7.2268;14.2845,13.1899,6.396;13.546,15.1895,7.4201;12.7887,14.8244,7.6793;13.7166,16.0307,7.6135;16.6371,14.3019,5.853;19.9619,14.0426,4.4998;20.4893,13.4466,4.1214;20.1933,14.8902,4.508;18.3708,12.4416,5.0962;19.1592,11.5308,4.3599;18.8784,1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