* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/02/88/01/2007src0079.mol" Structure: 1 InChI=1/C13H13NO5S/c1-2-19-13(15)10-18-9-12(8-14)20(16,17)11-6-4-3-5-7-11/h3-7,9H,2,10H2,1H3/b12-9+ AuxInfo=1/0/N:12,9,21,19,23,17,25,1,3,5,16,2,8,27,29,31,32,28,30,33/E:(4,5)(6,7)(16,17)/CRV:20.6/rA:33nCCCHCHHCCHHCHHHCCHCHCHCHCHNOOOOOS/rB:s1;d2;s3;;s5;s5;s5;;s9;s9;s9;s12;s12;s12;;s16;s17;d17;s19;s19;s21;d21;s23;d16s23;s25;t1;s3s5;d8;s8s9;;;s2s16d31d32;/rC:14.614,-.4827,4.284;15.0166,-.1491,2.953;16.0751,-.7169,2.3413;16.308,-.4509,1.4595;18.0201,-2.0017,2.3204;17.8752,-2.0821,1.3444;18.3284,-2.8791,2.6597;19.0711,-.9557,2.592;21.3786,-.4528,2.2481;21.8031,-.5465,3.1375;21.0784,.4844,2.14;22.3559,-.8145,1.1641;22.6286,-1.75,1.269;23.1439,-.2354,1.2282;21.9322,-.694,.2887;12.5572,.0615,1.752;11.4519,.1993,2.5829;11.4471,.8501,3.275;10.3574,-.6263,2.3869;9.5959,-.547,2.9494;10.3726,-1.5692,1.3693;9.6274,-2.1462,1.2498;11.4697,-1.6757,.5239;11.4617,-2.3074,-.1856;12.5751,-.863,.7131;13.332,-.9357,.1435;14.2838,-.7323,5.3493;16.7939,-1.6436,2.9599;18.8482,.1111,3.1142;20.2391,-1.3674,2.1307;13.6818,2.0674,2.973;14.6877,1.2755,.8355;14.0107,.9941,2.0792;