* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/94/01/2008src0844.mol"
Structure: 1
InChI=1/C24H23NO5/c1-3-29-22(28)24-14-13-23(30-24,16-11-9-15(2)10-12-16)18-19(24)21(27)25(20(18)26)17-7-5-4-6-8-17/h4-12,18-19H,3,13-14H2,1-2H3/q-3/t18-,19+,23+,24+/m0/s1
AuxInfo=1/0/N:19,44,16,28,26,30,24,32,37,40,35,42,11,8,39,34,23,3,5,2,1,15,14,7,48,50,49,52,53,51/E:(5,6)(7,8)(9,10)(11,12)/it:im/CRV:26-1.2,27-1.2,28-1.2/rA:53nCCCHCHCCHHCHHCCCHHCHHHCCHCHCHCHCHCCHCHCCHCHCHHHNO2-O2-OO2-O/rB:;s2;s3;s1s3;s5;s5;s7;s8;s8;s8;s11;s11;s3s11;s7;;s16;s16;s16;s19;s19;s19;;d23;s24;s24;s26;d26;s28;s28;s30;s23d30;s32;s14;d34;s35;s35;s37;d37;s39;s40;s34d40;s42;s39;s44;s44;s44;s1s2s23;d1;d2;s7s14;d15;s15s16;/rC:.997,2.454,10.712;.092,4.372,9.733;1.342,4.061,8.93;1.153,3.989,7.951;1.883,2.74,9.518;1.889,1.994,8.853;3.306,3.158,9.967;4.168,3.378,8.707;4.01,2.671,8.032;5.132,3.412,8.928;3.651,4.748,8.221;4.363,5.436,8.259;3.298,4.694,7.298;2.529,5.046,9.235;3.961,2.297,11.02;4.672,.057,11.446;4.296,-.836,11.244;4.439,.283,12.381;6.172,.013,11.299;6.403,-.241,10.381;6.543,-.645,11.923;6.546,.897,11.497;-.993,3.43,11.803;-1.821,2.328,11.97;-1.778,1.594,11.369;-2.717,2.319,13.038;-3.28,1.567,13.176;-2.792,3.4,13.896;-3.405,3.386,14.621;-1.98,4.5,13.705;-2.047,5.248,14.288;-1.059,4.514,12.656;-.484,5.26,12.53;2.161,6.493,9.395;2.059,7.086,10.642;2.211,6.569,11.425;1.735,8.434,10.758;1.692,8.831,11.621;1.473,9.211,9.636;1.578,8.603,8.392;1.406,9.114,7.61;1.928,7.267,8.263;2.008,6.88,7.4;1.057,10.654,9.765;.082,10.707,9.843;1.348,11.15,8.971;1.471,11.044,10.563;-.009,3.414,10.755;1.123,1.564,11.521;-.698,5.264,9.559;3.069,4.488,10.462;4.341,2.68,12.094;4.085,1.047,10.545;