* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/31/01/2008src1285.mol"
Structure: 1
InChI=1/C14H15N3OS/c18-14(12-4-3-11-19-12)17-9-7-16(8-10-17)13-5-1-2-6-15-13/h1-6,11H,7-10H2
AuxInfo=1/0/N:5,3,26,24,7,1,10,19,13,16,28,23,9,22,30,31,32,33,34/E:(7,8)(9,10)/rA:34nCHCHCHCHCCHHCHHCHHCHHCCCHCHCHNNNOS/rB:s1;s1;s3;d3;s5;s5;s7;d7;;s10;s10;s10;s13;s13;;s16;s16;s16;s19;s19;;s22;d23;s24;s24;s26;d26;s28;d1s9;s9s10s19;s13s16s22;d22;s23s28;/rC:5.258,5.5416,9.9229;6.1285,5.8256,10.1746;4.4696,4.9675,10.889;4.7865,4.838,11.7763;3.186,4.5843,10.5148;2.5979,4.2018,11.1558;2.7705,4.7585,9.2221;1.9,4.4851,8.9581;3.6433,5.3462,8.2845;2.019,5.1758,6.3807;1.527,5.9862,6.0963;1.468,4.6994,7.0516;2.2576,4.2814,5.1928;2.6749,3.4346,5.4921;1.3935,4.064,4.7614;4.407,5.3985,4.7911;4.8986,5.9316,4.1164;4.962,4.6131,5.0268;4.1689,6.2361,6.0212;5.0356,6.4292,6.4583;3.762,7.0987,5.7561;2.6762,5.1432,2.9642;3.6202,5.5734,1.9027;4.9241,5.2356,1.6819;5.4367,4.6918,2.2684;5.429,5.7923,.4695;6.316,5.6552,.1565;4.508,6.5398,-.1897;4.6784,7.0003,-1.0029;4.8837,5.7287,8.6458;3.2866,5.5583,6.9747;3.1355,4.9486,4.2277;1.4939,4.9342,2.6663;3.0011,6.5509,.6231;