* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/78/01/2008src0764.mol" Structure: 1 InChI=1/C22H26N2O.F5P.FH/c1-22(2)23(3)21(25)20(17-19-13-8-5-9-14-19)24(22)16-10-15-18-11-6-4-7-12-18;1-6(2,3,4)5;/h4-14,16,20H,15,17H2,1-3H3;;1H/b16-10+;;/t20-;;/m0../s1 AuxInfo=1/0/N:2,6,10,42,25,40,44,23,27,33,38,46,21,29,35,31,17,37,20,15,14,1,49,48,50;51,53,54,55,56,57;52/E:(1,2)(6,7)(8,9)(11,12)(13,14);(1,2,3,4,5);/it:im;;/rA:57nCCHHHCHHHCHHHCCHCHHCCHCHCHCHCHCHCHCHCCHCHCHCHCHNNOFFFFFFP/rB:s1;s2;s2;s2;s1;s6;s6;s6;;s10;s10;s10;;s14;s15;s15;s17;s17;s17;s20;s21;d21;s23;s23;s25;d25;s27;d20s27;s29;;s31;d31;s33;s33;s35;s35;s37;s38;d38;s40;s40;s42;d42;s44;d37s44;s46;s1s15s31;s1s10s14;d14;;;;;;;s51s53s54s55s56;/rC:-1.8357,14.8567,11.6148;-2.3568,15.7216,12.7586;-1.8872,15.4867,13.586;-3.3178,15.5673,12.8732;-2.2002,16.6665,12.5511;-1.9136,13.3712,11.9515;-1.4432,13.2022,12.7945;-1.4952,12.8512,11.234;-2.8526,13.1056,12.0425;-3.9499,14.9863,10.2065;-4.3255,14.6372,11.0416;-4.1136,14.3467,9.4822;-4.3758,15.8417,9.9892;-1.7368,15.6533,9.3751;-.2912,15.6305,9.8325;.0971,16.5491,9.7601;.5529,14.6497,9.0066;.5594,14.9546,8.0648;1.4856,14.6804,9.337;.0736,13.213,9.0459;.7458,12.2632,9.8061;1.5321,12.5121,10.2776;.2856,10.9576,9.8865;.7628,10.3192,10.4033;-.8659,10.5801,9.2172;-1.1891,9.6895,9.2869;-1.5414,11.5059,8.4477;-2.3275,11.2484,7.9806;-1.0775,12.8143,8.3525;-1.5444,13.442,7.8135;.4749,15.4219,12.1686;.2769,15.0856,13.0347;1.7394,16.0512,11.9943;2.0555,16.3069,11.1358;2.4668,16.2661,13.111;2.1704,15.8304,13.9015;3.6605,17.0972,13.2324;4.273,17.1972,14.4906;3.9587,16.6663,15.2129;5.3402,18.0716,14.6859;5.7552,18.1377,15.5379;5.7928,18.8465,13.6236;6.5154,19.4491,13.7548;5.1954,18.7472,12.3675;5.5156,19.2758,11.646;4.1331,17.8761,12.1714;3.7264,17.8089,11.3155;-.4321,15.2649,11.2553;-2.5157,15.1842,10.3645;-2.0979,16.0045,8.2608;.9646,12.8645,13.8213;.016,14.4108,15.1694;2.2288,13.9429,15.3531;.8121,13.3006,16.9839;1.7469,11.7406,15.6256;-.466,12.2155,15.4548;.8842,13.0727,15.4105;