* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/51/01/2009src1319.mol" Structure: 1 InChI=1/2C27H21NO/c2*29-21-24-15-13-22(14-16-24)11-12-23-17-19-27(20-18-23)28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h2*1-21H/b2*12-11+ AuxInfo=1/0/N:8,19,6,10,17,21,4,12,15,23,37,35,40,47,42,45,28,31,26,33,49,39,30,44,3,14,25,2,1;58,69,56,60,67,71,54,62,65,73,87,85,90,97,92,95,78,81,76,83,99,89,80,94,53,64,75,52,51/E:2*(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)(19,20)(25,26)/rA:100nONCCHCHCHCHCHCCHCHCHCHCHCCHCHCCHCHCHCHCCHCHCCHCHCHONCCHCHCHCHCHCCHCHCHCHCHCCHCHCCHCHCHCHCCHCHCCHCHCH/rB:;s2;s3;s4;d4;s6;s6;s8;d8;s10;d3s10;s12;s2;d14;s15;s15;s17;d17;s19;s19;s21;s14d21;s23;s2;d25;s26;s26;s28;d28;s30;s31;s25d31;s33;s30;s35;d35;s37;s37;d39;s40;s40;s42;d42;s44;s45;s39d45;s47;d1s44;s49;;;s52;d53;s54;s54;s56;d56;s58;s58;s60;s53d60;s62;s52;s64;s65;d65;s67;s67;s69;d69;s71;d64s71;s73;s52;s75;s76;d76;s78;s78;d80;s81;d75s81;s83;s80;s85;d85;s87;s87;s89;s90;d90;s92;s92;d94;s95;d89s95;s97;d51s94;s99;/rC:12.2507,-6.6123,10.4521;8.2341,2.736,2.3857;7.5021,3.9029,2.7007;6.6328,3.9311,3.7755;6.5443,3.165,4.3302;5.8855,5.0744,4.0513;5.3151,5.0982,4.8106;5.9756,6.1727,3.2193;5.4363,6.9375,3.3825;6.842,6.16,2.1587;6.9256,6.9302,1.6089;7.6021,5.0255,1.8799;8.1874,5.0171,1.1317;8.5456,2.416,1.0321;7.5675,2.4514,.0354;6.6786,2.7044,.2552;7.8863,2.1193,-1.2746;7.2223,2.1596,-1.9529;9.1658,1.7325,-1.5837;9.3831,1.4918,-2.4766;10.1257,1.6913,-.6204;11.0084,1.4218,-.8456;9.8274,2.0374,.6789;10.5097,2.0158,1.3395;8.5615,1.7708,3.3627;8.4346,.4111,3.0343;8.1102,.1596,2.1776;8.7802,-.5632,3.9535;8.6988,-1.4775,3.7087;9.2399,-.2462,5.2157;9.324,1.1124,5.5516;9.6079,1.3625,6.423;8.9989,2.0962,4.6307;9.0785,3.0103,4.8767;9.7028,-1.2611,6.1756;9.8468,-.9746,7.0699;9.9382,-2.5434,5.9072;9.7713,-2.817,5.0129;10.4191,-3.5804,6.8097;10.5551,-4.8797,6.3449;10.358,-5.0742,5.4361;10.9716,-5.8929,7.1801;11.0392,-6.7779,6.8411;11.2933,-5.6467,8.5035;11.1907,-4.3474,8.977;11.4245,-4.1548,9.8774;10.7505,-3.3285,8.1498;10.6717,-2.4465,8.494;11.7629,-6.7447,9.3578;11.6755,-7.6289,9.0216;11.3039,3.091,7.3626;15.1492,-7.0708,14.7557;15.8838,-8.1745,14.2528;15.7786,-8.522,12.9266;15.1984,-8.0283,12.3591;16.5037,-9.5791,12.4046;16.4394,-9.7876,11.48;17.3152,-10.3262,13.2206;17.8092,-11.0587,12.8713;17.4008,-9.9974,14.548;17.9507,-10.5211,15.1189;16.7096,-8.9253,15.0795;16.7982,-8.7045,15.9993;14.6895,-7.0003,16.0957;14.2615,-8.1352,16.7706;14.2468,-8.9729,16.3228;13.8584,-8.0554,18.0832;13.6097,-8.8453,18.5487;13.8123,-6.8346,18.7304;13.5406,-6.7789,19.6391;14.1675,-5.7006,18.0342;14.0965,-4.853,18.4571;14.6214,-5.7715,16.7432;14.8897,-4.9807,16.2902;14.8704,-5.9651,13.899;13.5721,-5.4593,13.7814;12.8665,-5.8497,14.2835;13.3099,-4.4012,12.9445;12.417,-4.0889,12.8574;14.3177,-3.7792,12.2248;15.6105,-4.2956,12.3548;16.3155,-3.8983,11.8571;15.8958,-5.3576,13.1777;16.7875,-5.6761,13.2545;14.1038,-2.6509,11.3347;14.868,-2.3443,10.861;12.9642,-1.9897,11.0991;12.1978,-2.2582,11.592;12.7948,-.8893,10.1488;11.5999,-.1643,10.1455;10.9082,-.3969,10.7537;11.4113,.8933,9.2625;10.5893,1.3694,9.2608;12.4179,1.2517,8.3885;13.5917,.5266,8.3793;14.2779,.7582,7.7644;13.7863,-.522,9.2411;14.6052,-1.003,9.2191;12.2749,2.3936,7.4592;13.0119,2.5904,6.893;