* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/16/01/2009src0647.mol"
Structure: 1
InChI=1/C46H58Br2S3/c1-5-9-13-17-25-45(26-18-14-10-6-2)35-29-31(47)21-23-33(35)37-39-41(50-43(37)45)42-40(49-39)38-34-24-22-32(48)30-36(34)46(44(38)51-42,27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
AuxInfo=1/0/N:30,49,82,101,27,46,79,98,24,43,76,95,21,40,73,92,18,37,70,89,10,62,12,64,15,34,67,86,7,59,9,61,14,66,6,58,3,55,2,54,1,53,4,56,5,57,108,109,106,105,107/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(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)(50,51)/rA:109nCCCCCCCHCCHCHCCHHCHHCHHCHHCHHCHHHCHHCHHCHHCHHCHHCHHHCCCCCCCHCCHCHCCHHCHHCHHCHHCHHCHHHCHHCHHCHHCHHCHHCHHHSSSBrBr/rB:d1;s2;d3;s4;s5;s6;s7;d7;s9;s10;d10;s12;s3d6s12;s5;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s30;s30;s30;s5;s34;s34;s34;s37;s37;s37;s40;s40;s40;s43;s43;s43;s46;s46;s46;s49;s49;s49;s1;d53;s54;d55;s56;s57;d58;s59;s59;d61;s62;s62;s64;s55s58d64;s57;s67;s67;s67;s70;s70;s70;s73;s73;s73;s76;s76;s76;s79;s79;s79;s82;s82;s82;s57;s86;s86;s86;s89;s89;s89;s92;s92;s92;s95;s95;s95;s98;s98;s98;s101;s101;s101;s1s4;s2s54;s53s56;s9;s61;/rC:9.5389,3.923,-5.5626;10.1496,4.9766,-4.8869;9.7431,5.0475,-3.5311;8.872,4.0541,-3.2029;8.3736,4.1391,-1.7703;9.1299,5.4066,-1.3328;9.1215,6.0232,-.0926;8.6115,5.6689,.6269;9.8767,7.1702,.0696;10.6373,7.7124,-.9551;11.1267,8.5133,-.8139;10.6817,7.0769,-2.194;11.2175,7.4195,-2.898;9.9228,5.9311,-2.3686;8.8704,2.9602,-.8907;9.8576,2.9213,-.9551;8.6449,3.1622,.0525;8.322,1.5888,-1.2235;8.5497,1.3573,-2.1595;7.3349,1.5959,-1.1388;8.9123,.5292,-.2721;8.5754,.6899,.6465;9.8975,.619,-.256;8.5354,-.9178,-.7115;8.8479,-1.0572,-1.641;9.0197,-1.5593,-.1346;7.0789,-1.2261,-.6492;6.5948,-.6402,-1.2833;6.7432,-1.0312,.2626;6.7903,-2.6661,-.9862;7.2521,-2.9059,-1.8182;5.825,-2.7866,-1.1027;7.1063,-3.2414,-.2593;6.8501,4.3317,-1.7135;6.4151,3.545,-2.13;6.5694,4.3612,-.7647;6.3503,5.5897,-2.41;6.551,6.3658,-1.8281;6.8659,5.7067,-3.2459;4.9119,5.6252,-2.7464;4.3984,5.4031,-1.9298;4.7326,4.9129,-3.41;4.3893,6.9127,-3.2905;4.4495,7.5813,-2.5632;5.0155,7.2033,-4.0007;3.0434,7.0013,-3.8448;2.4125,6.6741,-3.154;2.9903,6.3729,-4.6079;2.5552,8.2995,-4.3092;2.3553,8.8689,-3.5347;1.7403,8.172,-4.8376;3.2412,8.7283,-4.8606;9.9373,3.8639,-6.924;10.8563,4.8538,-7.2476;11.2857,4.7652,-8.6044;10.6696,3.7458,-9.2614;11.1228,3.5839,-10.694;12.1859,4.6837,-10.7317;13.0016,5.0298,-11.7889;12.9579,4.562,-12.6159;13.8933,6.087,-11.6097;13.9736,6.7934,-10.4209;14.5893,7.5116,-10.3317;13.145,6.4426,-9.354;13.1898,6.9186,-8.5331;12.2533,5.3877,-9.5122;9.979,3.8663,-11.6927;10.3319,3.7765,-12.6126;9.2746,3.1811,-11.5723;9.3502,5.2448,-11.5434;9.0177,5.344,-10.6172;10.0483,5.9311,-11.6871;8.2044,5.5059,-12.5024;7.4898,4.8432,-12.3337;8.5269,5.37,-13.4299;7.6135,6.9021,-12.3908;8.3305,7.5624,-12.5601;6.931,7.0131,-13.0984;6.9738,7.2175,-11.0488;7.6642,7.1537,-10.3415;6.2802,6.5383,-10.8568;6.3411,8.5984,-11.0002;7.0228,9.2764,-11.1883;5.9623,8.7531,-10.1085;5.6288,8.6551,-11.6707;11.7121,2.1782,-10.9329;10.9838,1.5132,-10.8535;12.0539,2.1345,-11.8611;12.8432,1.7778,-9.9812;13.6976,2.1475,-10.3185;12.6717,2.1735,-9.0911;12.9716,.2764,-9.8404;13.1218,-.1146,-10.7386;12.1169,-.0851,-9.4948;14.0947,-.1748,-8.9224;14.9588,.1288,-9.2978;13.9824,.2599,-8.0409;14.144,-1.6644,-8.7268;14.257,-2.0944,-9.6129;13.2755,-1.9633,-8.3592;15.2425,-2.1452,-7.8177;16.1125,-1.9077,-8.2017;15.1832,-3.1197,-7.7192;15.1463,-1.7235,-6.9381;8.4736,3.0176,-4.5331;11.2335,5.8878,-5.8977;9.5727,2.8343,-8.2742;9.8436,8.0567,1.7577;15.0056,6.5964,-13.0642;