* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/35/01/2008src0864.mol" Structure: 1 InChI=1/C27H32N4O3S/c1-4-30(5-2)26-27(21-16-18-23(34-3)19-17-21)25(35(32,33)29-26)24(20-12-8-6-9-13-20)28-31(27)22-14-10-7-11-15-22/h6-19,24-26,28-29H,4-5H2,1-3H3/t24?,25-,26?,27+/m1/s1 AuxInfo=1/0/N:8,15,29,5,12,50,38,48,52,36,40,46,54,34,42,20,27,22,25,45,19,33,24,44,3,1,2,59,56,57,58,60,61,62,63/E:(1,2)(4,5)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(32,33)/it:im/CRV:35.6/rA:63nCCCHCHHCHHHCHHCHHHCCHCHCCHCHCHHHCCHCHCHCHCHCCCHCHCHCHCHNNNNOOOS/rB:s1;s2;s3;;s5;s5;s5;s8;s8;s8;;s12;s12;s12;s15;s15;s15;s2;d19;s20;s20;s22;d22;s24;s25;s19d25;s27;;s29;s29;s29;;s33;s34;d34;s36;s36;s38;d38;s40;d33s40;s42;s3;s44;s45;s46;d46;s48;s48;s50;d50;s52;d45s52;s54;s1;s1s5s12;s2s33;s44s58;;;s24s29;s3s56d60d61;/rC:.2644,5.8829,2.8314;-1.2578,5.7112,2.8622;-1.838,7.0112,2.2632;-2.1935,6.881,1.3376;2.5591,5.2109,3.0191;3.0635,4.4738,3.4461;2.7277,6.0352,3.5409;3.0724,5.4074,1.6016;4.0296,5.616,1.6267;2.5879,6.1466,1.1782;2.9306,4.5861,1.0861;.766,3.5278,3.5044;-.2177,3.4619,3.5944;1.1633,3.3616,4.3959;1.2493,2.4553,2.5376;.9913,1.5718,2.8742;2.2249,2.5026,2.4584;.8427,2.6013,1.6579;-1.7885,4.5003,2.0893;-1.2596,4.1814,.8456;-.539,4.6926,.4967;-1.7721,3.1239,.1064;-1.3849,2.8983,-.7312;-2.844,2.4004,.5883;-3.3793,2.7079,1.8223;-4.1145,2.2092,2.1588;-2.8434,3.7458,2.5718;-3.2058,3.941,3.4279;-2.8833,.9571,-1.3294;-3.4058,.2143,-1.6976;-1.9574,.6678,-1.1903;-2.8997,1.7103,-1.9561;-.9671,5.6554,5.4195;-.8609,4.4379,6.0739;-1.3625,3.6883,5.7756;-.0123,4.3229,7.1728;.0666,3.4894,7.6217;.7105,5.4028,7.6124;1.3001,5.3095,8.3514;.5822,6.6323,6.9794;1.0698,7.3844,7.2943;-.2586,6.7567,5.8887;-.3528,7.5981,5.4577;-2.9128,7.3775,3.2453;-3.9593,8.3741,2.9961;-5.0237,8.5216,3.8821;-5.0528,7.994,4.6716;-6.0425,9.4291,3.6271;-6.7781,9.5033,4.2236;-5.9781,10.2211,2.5019;-6.6619,10.8584,2.3324;-4.9218,10.0925,1.6174;-4.8856,10.6382,.8406;-3.9208,9.1742,1.86;-3.2006,9.0882,1.2465;.7353,7.093,2.5424;1.1205,4.8988,3.0651;-1.8254,5.7453,4.2571;-2.7932,6.7536,4.3629;-.2916,8.8516,1.0562;-.5724,9.0234,3.4756;-3.4508,1.3659,-.0745;-.4395,8.1772,2.3155;