* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/07/01/2008src0227.mol"
Structure: 1
InChI=1/C22H12S3/c1-3-7-13-11(5-1)9-15-17(13)19-21(23-15)22-20(25-19)18-14-8-4-2-6-12(14)10-16(18)24-22/h1-8H,9-10H2
AuxInfo=1/0/N:11,28,13,30,9,26,15,32,5,22,8,25,17,34,4,21,3,20,2,19,1,18,35,37,36/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:37nCCCCCHHCCHCHCHCHCCCCCCHHCCHCHCHCHCSSS/rB:d1;s2;d3;s4;s5;s5;s5;s8;s9;d9;s11;s11;s13;d13;s15;s3d8s15;s1;d18;s19;d20;s21;s22;s22;s22;d25;s26;s26;s28;d28;s30;s30;s32;s20s25d32;s1s4;s2s19;s18s21;/rC:3.014,5.0987,1.1652;3.5142,3.8125,1.2512;4.9209,3.7733,1.3948;5.4619,5.0491,1.4499;6.9475,5.0415,1.6135;7.2247,5.4925,2.45;7.4015,5.4678,.8439;7.2198,3.5433,1.6665;8.4263,2.8737,1.8294;9.2398,3.356,1.9202;8.4191,1.4806,1.8567;9.2361,1.01,1.9732;7.2152,.7597,1.7137;7.2337,-.1901,1.7236;6.0054,1.4184,1.559;5.1938,.9315,1.4769;6.0074,2.8163,1.5267;1.6072,5.1396,1.0002;1.0669,3.8659,.9502;-.3469,3.8858,.7404;-.8234,5.1679,.6764;-2.3222,5.217,.4505;-2.5496,5.6577,-.4064;-2.79,5.6762,1.1924;-2.6383,3.7302,.4202;-3.8716,3.128,.2608;-4.6613,3.6485,.1724;-3.9253,1.7227,.2333;-4.7599,1.2885,.1014;-2.7719,.9583,.3967;-2.8321,.0102,.3944;-1.5248,1.573,.5645;-.7376,1.0517,.6693;-1.4624,2.9685,.5743;4.2741,6.2984,1.2933;2.2612,2.6103,1.1028;.4025,6.3741,.8243;