* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/72/01/2009src0685a.mol" Structure: 1 InChI=1/C24H32O15/c1-11(25)32-9-18-20(17(7-8-31-18)34-13(3)27)39-24-23(37-16(6)30)22(36-15(5)29)21(35-14(4)28)19(38-24)10-33-12(2)26/h7-8,17-24H,9-10H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1 AuxInfo=1/0/N:48,15,53,20,25,30,40,38,44,11,47,14,52,19,24,29,42,36,1,34,3,5,7,9,69,59,71,61,63,65,67,68,58,70,60,62,64,57,66/it:im/rA:71nCHCHCHCHCHCHHCCHHHCCHHHCCHHHCCHHHCHCHCHCHCHCHHCCHHHCCHHHOOOOOOOOOOOOOOO/rB:s1;s1;s3;s3;s5;s5;s7;s7;s9;s1;s11;s11;;s14;s15;s15;s15;;s19;s20;s20;s20;;s24;s25;s25;s25;;s29;s30;s30;s30;;s34;s34;s36;;s38;d38;s40;s34s40;s42;s36;s44;s44;;s47;s48;s48;s48;;s52;s53;s53;s53;s1s9;s11s14;d14;s3s19;d19;s5s24;d24;s7s29;d29;s9s34;s36s38;s44s47;d47;s42s52;d52;/rC:4.6331,6.2656,9.2163;3.8775,6.8828,8.997;5.2359,5.7226,7.9238;4.5257,5.277,7.3788;5.8654,6.8618,7.124;5.1409,7.4398,6.7485;6.787,7.7081,7.9743;7.6224,7.204,8.1932;6.0682,8.1299,9.2512;5.2965,8.7297,9.0396;4.1426,5.1825,10.146;4.8433,4.4952,10.2756;3.9077,5.565,11.0284;2.4853,3.4841,10.0985;1.2391,3.0263,9.4249;1.4601,2.6594,8.5435;.6275,3.7847,9.3191;.8094,2.3335,9.9688;6.3492,3.6408,7.5412;7.2589,2.6507,8.175;6.7988,1.7893,8.256;7.5175,2.968,9.0655;8.0603,2.5423,7.6214;5.9737,5.9703,4.9238;6.8453,5.2888,3.9338;6.7847,4.3187,4.0584;7.773,5.5773,4.0622;6.5535,5.5206,3.0274;8.4123,9.2265,7.0965;8.5601,10.6144,6.5605;8.5248,11.2559,7.3005;7.8321,10.8009,5.9315;9.4203,10.6961,6.0981;6.4069,9.5624,11.1164;5.4448,9.3165,11.234;6.5353,11.0333,10.7593;6.0666,11.1802,9.8882;8.7742,10.8857,11.507;9.6488,11.2556,11.5342;8.5093,9.9108,12.3739;9.1693,9.6624,13.0104;7.2019,9.2024,12.3669;7.3585,8.215,12.3886;5.9524,11.9972,11.7698;6.4744,11.9686,12.6105;5.9782,12.9213,11.4154;4.0159,12.1071,13.1214;2.6007,11.6402,13.2791;2.4426,11.3863,14.2123;2.4457,10.8656,12.6991;1.9883,12.3633,13.029;6.611,9.0008,14.6746;5.6056,9.3927,15.701;4.7739,8.8968,15.5496;5.4291,10.3544,15.6349;5.952,9.1847,16.5938;5.6276,6.9764,9.9552;2.9746,4.601,9.5206;3.0148,2.9813,11.0601;6.2398,4.7562,8.3056;5.7672,3.493,6.4988;6.6652,6.3332,6.0375;4.8045,6.1736,4.7947;7.1003,8.9131,7.25;9.3161,8.4839,7.3685;6.995,8.7878,10.051;7.9192,11.405,10.587;4.5904,11.5962,12.0156;4.5863,12.8333,13.8709;6.3352,9.5846,13.4904;7.5549,8.2697,14.8404;