* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/22/01/03hur152.mol" Structure: 1 InChI=1/2C10H15O3S2/c2*1-10(14-5-2-6-15(10)12)9-7-8(11)3-4-13-9/h2*3-4,9,12H,2,5-7H2,1H3/t2*9-,10+/m11/s1 AuxInfo=1/0/N:27,54,57,38,31,24,13,37,22,34,7,9,8,3,1;50,16,35,48,45,41,19,40,11,44,10,6,5,4,2/it:2im/CRV:2*15.3/rA:58nS3S3SSOOOOOOCHCHHCHHCHHCHCHHCHHHCHHCCHCCHCCHHCCHHCHCHHHCHHCH/rB:;;;;s2;;;s1;;s5;s11;;s13;s13;;s16;s16;s11;s19;s19;s8s13;s22;s1;s24;s24;;s27;s27;s27;s3;s31;s31;s1s3s22s27;;s35;d7s13;s8;s38;d10s19s35;s2s16;s41;s41;s2s4s11;s4s16;s45;s45;s5d35;s48;s44;s50;s50;s50;s24s31;s54;s54;s37d38;s57;/rC:7.1146,-6.0641,4.9269;2.5953,-2.5183,4.77;8.2359,-3.265,5.1599;5.0303,-.7701,4.5486;3.5713,-2.902,7.5581;3.4053,-3.4683,3.9517;5.9521,-1.2859,.9761;6.4951,-5.1649,2.1483;5.9764,-5.537,5.7328;7.4739,-2.5974,8.7333;4.5515,-2.3799,6.618;4.9084,-3.1386,6.073;7.1524,-2.8147,2.3655;7.2358,-2.0748,3.0178;8.0327,-2.9383,1.9295;2.9643,-.7178,2.6725;2.5009,-.1749,1.9866;3.4116,-1.4692,2.2084;5.7102,-1.7353,7.3777;6.4105,-1.4594,6.7347;5.3859,-.924,7.8432;6.772,-4.0848,3.0946;5.9545,-3.914,3.6447;8.4624,-6.3893,6.0834;8.2309,-7.1887,6.6196;9.2775,-6.6044,5.5642;9.0967,-5.1506,3.2647;8.8626,-5.9701,2.781;9.8099,-5.3437,3.9085;9.4059,-4.4726,2.6283;9.379,-4.0417,6.3436;10.2005,-4.3177,5.865;9.6374,-3.3743,7.0277;7.8802,-4.6342,4;5.3529,-3.6212,8.9464;5.6498,-4.2557,9.5881;6.1368,-2.452,1.334;5.7312,-4.8207,1.1018;5.3451,-5.5243,.5934;6.3025,-2.6814,8.3822;1.934,-1.2798,3.6238;1.2037,-1.6908,3.0966;1.5443,-.5358,4.148;3.7951,-1.4346,5.6999;4.0205,.1397,3.3397;3.5765,.8967,3.7978;4.6152,.5157,2.6433;4.0902,-3.611,8.5865;3.49,-4.1472,9.0913;3.0085,-.3711,6.4625;2.3264,-.8043,7.017;2.5754,.2344,5.8253;3.619,.1391,7.0347;8.7822,-5.2473,7.0328;7.951,-4.9731,7.4955;9.4172,-5.5704,7.7202;5.4693,-3.5732,.7168;4.8348,-3.419,.0268;