* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/20/01/2007src1312.mol"
Structure: 1
InChI=1/C22H16O4/c23-21-17-13-7-8-14-18(17)22(24)26-20(16-11-5-2-6-12-16)19(25-21)15-9-3-1-4-10-15/h1-14,19-20H/t19-,20-/m1/s1
AuxInfo=1/0/N:22,33,20,24,31,35,4,6,18,26,29,37,2,8,17,28,1,10,12,14,11,16,39,42,40,41/E:(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)/it:im/rA:42nCCHCHCHCHCCCHCHCCCHCHCHCHCHCCHCHCHCHCHOOOO/rB:s1;s2;d2;s4;s4;s6;d6;s8;d1s8;s1;;s12;s12;s14;s10;s12;s17;s18;d18;s20;s20;s22;d22;s24;d17s24;s26;s14;d28;s29;s29;s31;d31;s33;s33;s35;s28d35;s37;d11;s11s12;s14s16;d16;/rC:-.4401,9.6842,7.7025;-.9926,9.0544,8.8126;-1.63,8.3583,8.6995;-.6059,9.4492,10.0879;-.9838,9.0234,10.8476;.3282,10.4613,10.2607;.5983,10.7137,11.1361;.8692,11.1066,9.1548;1.5072,11.8,9.2741;.4778,10.7363,7.8755;-.8244,9.2643,6.3251;.1305,9.6977,4.1987;-.8183,9.6133,3.8932;.5009,11.2106,4.3655;1.489,11.3335,4.2735;1.0212,11.4395,6.6895;1.0398,8.9793,3.2414;2.3551,8.6942,3.613;2.6691,8.9468,4.4737;3.2049,8.0442,2.7323;4.0934,7.8364,2.998;2.7659,7.6948,1.4655;3.3517,7.2507,.8642;1.4656,7.9972,1.0787;1.1663,7.7698,.2062;.6011,8.6314,1.9654;-.2897,8.8277,1.6999;-.219,12.0524,3.3474;.2715,12.1094,2.045;1.08,11.6625,1.8226;-.4184,12.8174,1.0719;-.0803,12.8508,.1848;-1.5983,13.4785,1.3861;-2.0703,13.9598,.7164;-2.0826,13.4307,2.6844;-2.8842,13.8903,2.9062;-1.403,12.7145,3.6639;-1.7464,12.6764,4.5488;-1.9514,9.0802,5.9516;.2751,9.117,5.5195;.0783,11.5786,5.6989;2.1377,11.8756,6.5919;