* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/94/01/00sot057.mol" Structure: 1 InChI=1/C14H22O2.C14H20O2/c2*1-9-7-11(9)13-12-5-3-4-6-14(12,15)10(2)8-16-13/h9,11-13,15H,2-8H2,1H3;11-13,15H,1-8H2/t9?,11-,12-,13+,14-;11-,12-,13+,14-/m11/s1 AuxInfo=1/0/N:34,13,19,22,16,27,31,10,30,9,25,6,4,8,2,1;70,49,55,58,52,61,67,46,66,45,64,42,40,44,38,37/it:2im/rA:72nOOHCHCHCCCHHCHHCHHCHHCHHCHCHHCCHHCHHOOHCHCHCCCHHCHHCHHCHHCHHCHHCHCCHHCHH/rB:;s2;s1;s4;s4;s6;s2s6;s8;s1s9;s10;s10;d9;s13;s13;s6;s16;s16;s16;s19;s19;s19;s22;s22;s4;s25;s8s22;s27;s27;s25;s25s30;s31;s31;s30;s34;s34;;;s38;s37;s40;s40;s42;s38s42;s44;s37s45;s46;s46;d45;s49;s49;s42;s52;s52;s52;s55;s55;s55;s58;s58;s44s58;s61;s61;s40;s64;s64;s64s66;s67;s67;d66;s70;s70;/rC:6.3491,4.0239,3.1706;7.4888,5.1915,6.2018;7.2704,5.8328,6.6749;7.4387,3.4598,3.9333;7.0877,3.1613,4.7979;8.5108,4.5091,4.1881;9.1768,4.1017,4.7807;7.9136,5.7074,4.9376;6.663,6.184,4.2301;5.7117,5.0844,3.8857;5.3249,4.7309,4.7011;4.9906,5.445,3.345;6.336,7.4397,3.9942;5.505,7.6205,3.5646;6.9476,8.1609,4.2426;9.2388,4.943,2.9345;9.6535,4.1673,2.5249;8.5969,5.3036,2.3032;10.3011,5.9853,3.209;10.9938,5.6005,3.769;10.7085,6.26,2.3721;9.7063,7.1903,3.8999;9.0909,7.6377,3.2976;10.4116,7.8144,4.1285;7.9205,2.2645,3.1855;8.1953,2.4281,2.2601;8.9704,6.7731,5.1611;9.6166,6.4408,5.8032;8.5465,7.5549,5.547;8.6636,1.2363,3.884;7.338,.8868,3.4621;6.6167,.8383,4.1264;7.1918,.303,2.7315;9.7604,.9383,4.5074;9.8219,.2626,5.0154;10.5781,1.6463,4.4708;7.7706,9.6345,.3687;7.4778,7.9407,-2.6667;6.8768,7.3852,-2.8047;8.4341,9.9571,-.8449;7.7574,10.1637,-1.524;9.2529,8.7643,-1.3264;9.6525,9.0083,-2.187;8.3363,7.5589,-1.5681;7.4547,7.3373,-.3724;6.8262,8.5837,.1722;6.1386,8.8861,-.4413;6.3995,8.379,1.0181;7.1609,6.1621,.1468;6.5711,6.157,.9019;7.496,5.345,-.2239;10.3913,8.4014,-.3786;10.9834,9.1638,-.2906;10.0233,8.2084,.4972;11.1914,7.2089,-.8496;11.8765,7.0004,-.1959;11.6314,7.4256,-1.6876;10.3001,6.0055,-1.0457;9.9381,5.7247,-.1894;10.8187,5.2712,-1.4099;9.1592,6.3479,-1.9969;8.571,5.5803,-2.0664;9.5276,6.5176,-2.8779;9.2507,11.1921,-.5945;9.9495,11.1091,.0883;9.5439,12.0777,-1.6807;8.6137,12.5686,-.7235;7.6205,12.5847,-.9471;8.9486,13.2715,-.0775;10.1484,12.2363,-2.8064;9.9759,12.9887,-3.3256;10.7588,11.599,-3.0996;