* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/09/25/01/04src334.mol"
Structure: 1
InChI=1/3C15H16O2.CHCl3/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;2-1(3)4/h3*3-10,16-17H,1-2H3;1H
AuxInfo=1/0/N:2,6,11,18,21,28,13,16,23,26,10,20,15,25,1,30,32;35,39,44,51,54,61,46,49,56,59,43,53,48,58,34,63,65;68,72,77,84,87,94,79,82,89,92,76,86,81,91,67,96,98;100,102,103,104/E:3*(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17);(2,3,4)/rA:104nCCHHHCHHHCCHCHCCHCHCCHCHCCHCHOHOHCCHHHCHHHCCHCHCCHCHCCHCHCCHCHOHOHCCHHHCHHHCCHCHCCHCHCCHCHCCHCHOHOHCHClClCl/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;d10;s11;s11;s13;d13;s15;s16;s10d16;s18;s1;s20;s21;d21;s23;s23;d25;s26;d20s26;s28;s15;s30;s25;s32;;s34;s35;s35;s35;s34;s39;s39;s39;s34;d43;s44;s44;s46;d46;s48;s49;s43d49;s51;s34;d53;s54;s54;s56;d56;s58;s59;s53d59;s61;s48;s63;s58;s65;;s67;s68;s68;s68;s67;s72;s72;s72;s67;s76;s77;d77;s79;s79;d81;s82;d76s82;s84;s67;d86;s87;s87;s89;d89;s91;s92;s86d92;s94;s81;s96;s91;s98;;s100;s100;s100;s100;/rC:-.6957,10.8973,6.5702;.0624,12.2004,6.8679;-.291,12.6039,7.6881;-.0537,12.8239,6.1209;1.0155,12.0045,6.9848;-2.1738,11.2625,6.3412;-2.6987,10.443,6.2261;-2.2525,11.8166,5.5367;-2.5109,11.7604,7.115;-.1846,10.203,5.304;.7771,10.7474,4.4678;1.1533,11.5942,4.6771;1.1979,10.0776,3.3334;1.8636,10.4623,2.7754;.659,8.8651,3.0139;-.3119,8.3018,3.8169;-.6969,7.4632,3.5908;-.7146,8.972,4.9501;-1.3763,8.5785,5.5068;-.5078,9.9679,7.7702;-1.4805,9.7561,8.7241;-2.3271,10.175,8.6226;-1.2565,8.9531,9.8199;-1.9429,8.821,10.4633;-.029,8.3409,9.9788;.9612,8.5268,9.0421;1.8034,8.0994,9.1441;.7223,9.3344,7.9596;1.4129,9.4666,7.3207;1.073,8.1354,1.9063;1.5986,8.6008,1.4449;.2438,7.5053,11.0378;-.4263,7.4653,11.5427;4.4983,14.5341,1.3448;3.7298,15.6756,.6887;3.8329,15.6221,-.2843;4.0822,16.5326,1.008;2.7802,15.6061,.9209;5.9546,14.6415,.8868;6.0052,14.4879,-.0797;6.4941,13.9694,1.3532;6.2969,15.5362,1.0938;3.9691,13.1627,.9401;2.9062,12.9859,.0702;2.4916,13.7492,-.3144;2.4326,11.7287,-.2534;1.6978,11.6348,-.8481;3.0256,10.6185,.2859;4.093,10.7562,1.1491;4.5149,9.9877,1.5151;4.5437,12.0204,1.4773;5.2665,12.1097,2.0872;4.3492,14.689,2.8635;3.1593,14.3137,3.49;2.4652,13.9298,2.9671;2.9608,14.482,4.8383;2.1382,14.2258,5.2385;3.9713,15.0282,5.606;5.1534,15.4333,5.019;5.8371,15.8306,5.5455;5.3362,15.2568,3.6573;6.154,15.5301,3.2584;2.5679,9.3428,.0394;2.0251,9.359,-.6015;3.7489,15.155,6.9589;4.4263,15.4924,7.3236;.3895,21.85,7.3843;1.8664,22.2813,7.3892;2.3516,21.7931,6.6915;2.2623,22.0813,8.2631;1.9262,23.244,7.2161;-.3279,22.5929,8.5104;-.2113,23.5586,8.3909;.0503,22.3225,9.3731;-1.283,22.3742,8.4895;-.1842,22.1771,6.0159;-1.1887,23.1083,5.8132;-1.5282,23.5867,6.5604;-1.7121,23.3648,4.5667;-2.3955,24.016,4.4592;-1.2359,22.6675,3.4719;-.2136,21.7517,3.638;.1357,21.2868,2.8868;.294,21.5163,4.8863;.9945,20.8824,4.9862;.2305,20.3532,7.6341;-1.006,19.7502,7.374;-1.7151,20.2794,7.0281;-1.2213,18.4105,7.6065;-2.0695,18.0226,7.4258;-.1968,17.639,8.1029;1.0262,18.2062,8.3919;1.727,17.6749,8.7512;1.2249,19.5501,8.1559;2.07,19.9343,8.358;-1.74,22.8412,2.2138;-2.2188,23.5312,2.1968;-.4458,16.2897,8.2919;.2703,15.8979,8.4901;2.7215,17.9493,3.7011;3.1556,17.0558,3.586;1.9093,17.981,5.2577;3.951,19.1766,3.6297;1.5503,18.1719,2.4155;