* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/47/01/2009src0666.mol"
Structure: 1
InChI=1/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1
AuxInfo=1/0/N:26,31,36,41,16,14,18,12,20,22,25,30,35,40,11,9,7,5,3,1,47,49,51,53,46,48,50,52,45,54/E:(6,7)(8,9)/it:im/rA:54nCHCHCHCHCHCCHCHCHCHCHCHHCCHHHCCHHHCCHHHCCHHHOOOOOOOOOS/rB:s1;s1;s3;s3;s5;s5;s7;s7;s9;;d11;s12;s12;s14;d14;s16;s16;s18;s11d18;s20;s9;s22;s22;;s25;s26;s26;s26;;s30;s31;s31;s31;;s35;s36;s36;s36;;s40;s41;s41;s41;s1s9;s22s25;d25;s7s30;d30;s5s35;d35;s3s40;d40;s1s11;/rC:4.9596,2.4177,13.0787;4.9562,3.2496,13.6336;6.361,1.8037,13.0684;6.3395,.8957,12.6499;7.3528,2.7014,12.3363;7.585,3.4776,12.9223;6.8337,3.2247,10.9967;7.4317,3.9534,10.6631;5.4266,3.7698,11.2129;5.4711,4.5114,11.8822;2.3568,2.2285,14.0636;2.0677,3.3987,13.3784;2.6732,3.7311,12.726;.8853,4.0861,13.6501;.6934,4.8932,13.1873;-.0119,3.6034,14.588;-.8219,4.0693,14.7594;.2788,2.4431,15.2704;-.3358,2.1078,15.9125;1.4619,1.7595,15.0281;1.6634,.9714,15.5189;4.7736,4.2916,9.9607;5.3838,4.9086,9.484;4.5423,3.5442,9.3541;3.2473,6.0969,9.6836;1.984,6.6855,10.2243;1.225,6.1207,9.9689;1.8596,7.5855,9.8571;2.0393,6.7361,11.2015;7.1975,2.4343,8.7743;7.1329,1.2263,7.899;7.5512,1.4259,7.0355;6.1963,.9748,7.7579;7.6088,.4854,8.3291;9.7034,2.546,11.985;10.8128,1.583,11.6984;11.6632,1.9648,12.001;10.8562,1.412,10.7344;10.6456,.7416,12.1722;6.9424,.4885,14.9914;7.5042,.5954,16.3765;7.7619,-.2951,16.6941;6.8265,.9725,16.9757;8.2915,1.1788,16.3656;4.5876,2.7264,11.7393;3.5813,4.987,10.381;3.8863,6.5266,8.7585;6.8157,2.133,10.0481;7.5136,3.5367,8.4315;8.5263,1.8809,12.1535;9.7848,3.7379,12.0361;6.8523,1.7195,14.4294;6.5905,-.5221,14.4432;3.7881,1.2226,13.7547;