* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/95/01/2008src0845.mol"
Structure: 1
InChI=1/C23H20N2O6/c1-22-16-17(19(27)25(18(16)26)15-11-7-4-8-12-15)23(31-22,21(29)30-2)20(28)24(22)13-14-9-5-3-6-10-14/h3-12,16-17H,13H2,1-2H3/q-4/t16-,17+,22+,23-/m1/s1
AuxInfo=1/0/N:15,11,38,24,36,40,22,26,34,42,20,28,30,33,19,3,5,2,1,8,10,9,7,45,44,47,46,49,50,51,48/E:(5,6)(7,8)(9,10)(11,12)/it:im/CRV:26-1.2,27-1.2,28-1.2,29-1.2/rA:51nCCCHCHCCCCCHHHCHHHCCHCHCHCHCHCHHCCHCHCHCHCHNNO2-O2-OO2-O2-O/rB:;s2;s3;s1s3;s5;s5;s7;s3;s7;;s11;s11;s11;s9;s15;s15;s15;;d19;s20;s20;s22;d22;s24;s24;s26;s19d26;s28;;s30;s30;s30;d33;s34;s34;s36;d36;s38;s38;s40;s33d40;s42;s1s2s19;s8s9s30;d1;d2;s7s9;d8;d10;s10s11;/rC:17.844,-.159,9.428;19.452,-.797,10.986;19.99,-1.261,9.645;20.216,-2.235,9.652;18.874,-.939,8.634;18.498,-1.752,8.19;19.611,.017,7.648;20.608,-.906,6.914;21.17,-.389,9.068;18.778,.949,6.801;17.198,1.034,5.049;16.518,1.511,5.57;16.758,.441,4.404;17.756,1.682,4.57;22.288,.032,9.963;22.917,.591,9.46;22.753,-.761,10.3;21.927,.544,10.717;17.398,.393,11.827;16.032,.136,11.807;15.648,-.393,11.118;15.242,.669,12.814;14.302,.534,12.795;15.812,1.399,13.85;15.268,1.724,14.558;17.171,1.652,13.849;17.559,2.16,14.553;17.977,1.164,12.82;18.906,1.359,12.8;22.522,-2.204,7.764;22.25,-2.795,7.017;22.44,-2.724,8.602;23.979,-1.821,7.572;24.936,-2.23,8.49;24.663,-2.69,9.275;26.288,-1.977,8.279;26.933,-2.259,8.917;26.686,-1.315,7.138;27.609,-1.149,6.983;25.749,-.893,6.223;26.026,-.435,5.438;24.398,-1.135,6.443;23.756,-.827,5.814;18.225,-.16,10.782;21.595,-1.067,7.824;16.874,.394,8.973;19.974,-.963,12.062;20.47,.74,8.531;20.482,-1.443,5.832;18.801,2.147,6.893;18.032,.243,5.947;