* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/67/01/2008src1083nd.mol" Structure: 1 InChI=1/2C24H16N2O4/c2*1-29-23(27)17-7-3-15(4-8-17)21-11-19(13-25)20(14-26)12-22(21)16-5-9-18(10-6-16)24(28)30-2/h2*3-12H,1-2H3/q2*-2 AuxInfo=1/0/N:12,37,4,7,27,34,2,9,29,32,22,18,25,24,6,26,1,31,21,20,16,17,11,36,42,41,44,46,43,45;58,83,50,53,73,80,48,55,75,78,68,64,71,70,52,72,47,77,67,66,62,63,57,82,88,87,90,91,89,92/E:2*(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:2*27-1.2,28-1.2/rA:92nCCHCHCCHCHCCHHHCCCHCCCHCCCCHCHCCHCHCCHHHNNOO2-OO2-CCHCHCCHCHCCHHHCCCHCCCHCCCCHCHCCHCHCCHHHNNOO2-O2-O/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;s1;;s12;s12;s12;s6;d16;s17;s18;d18;s20;s16d21;s22;s20;s21;s17;d26;s27;s27;s29;d29;s31;s32;s26d32;s34;s31;;s37;s37;s37;t24;t25;s11s12;d11;s36s37;d36;;d47;s48;s48;s50;d50;s52;s53;s47d53;s55;s47;;s58;s58;s58;s52;d62;s63;s64;d64;s66;s62d67;s68;s66;s67;s63;d72;s73;s73;s75;d75;s77;s78;s72d78;s80;s77;;s83;s83;s83;t70;t71;s57s58;d57;d82;s82s83;/rC:13.008,.096,6.519;13.942,.4,5.543;14.71,.911,5.77;13.768,-.038,4.231;14.412,.184,3.569;12.651,-.8,3.884;11.712,-1.079,4.869;10.937,-1.578,4.641;11.875,-.65,6.163;11.219,-.859,6.818;13.121,.561,7.926;14.454,1.576,9.573;13.76,2.232,9.792;15.337,1.987,9.679;14.378,.807,10.175;12.403,-1.279,2.489;13.39,-1.911,1.717;13.084,-2.295,.396;13.758,-2.698,-.138;11.823,-2.098,-.141;10.83,-1.502,.655;11.127,-1.093,1.946;10.452,-.679,2.471;11.514,-2.492,-1.506;9.509,-1.299,.111;14.748,-2.249,2.227;14.905,-3.058,3.348;14.143,-3.361,3.827;16.175,-3.419,3.766;16.275,-3.982,4.524;17.311,-2.971,3.092;17.141,-2.177,1.984;17.903,-1.873,1.506;15.879,-1.815,1.553;15.785,-1.262,.786;18.673,-3.382,3.491;20.04,-4.336,5.16;20.309,-5.102,4.612;20.004,-4.604,6.102;20.692,-3.612,5.051;11.23,-2.781,-2.569;8.474,-1.145,-.343;14.288,1.133,8.198;12.247,.412,8.753;18.73,-3.875,4.738;19.64,-3.312,2.768;1.774,2.756,6.598;2.724,3.102,5.646;3.518,3.548,5.915;2.526,2.802,4.311;3.188,3.04,3.672;1.371,2.158,3.896;.429,1.794,4.844;-.36,1.339,4.572;.627,2.089,6.197;-.024,1.833,6.84;1.89,3.152,8.028;3.164,4.27,9.663;2.488,4.955,9.849;4.058,4.649,9.792;3.038,3.513,10.273;1.104,1.896,2.446;2.037,1.256,1.605;1.764,1.12,.251;2.4,.7,-.316;.584,1.586,-.282;-.383,2.202,.548;-.09,2.363,1.909;-.718,2.798,2.473;.319,1.448,-1.68;-1.627,2.657,.009;3.315,.697,2.123;3.326,-.179,3.208;2.508,-.435,3.617;4.519,-.675,3.69;4.515,-1.261,4.438;5.72,-.333,3.103;5.706,.487,1.987;6.522,.703,1.551;4.514,.995,1.503;4.519,1.555,.736;7.047,-.783,3.614;8.215,-1.765,5.395;8.673,-2.373,4.777;8.05,-2.226,6.244;8.776,-.978,5.554;.09,1.344,-2.792;-2.606,3.009,-.458;3.025,3.814,8.292;1.047,2.935,8.859;8.092,-.66,3.024;6.957,-1.352,4.819;