* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/09/28/01/02src723.mol" Structure: 1 InChI=1/C14H12N2.C10H8S8.C5H5S4.4CNS.Cr/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;1-2-7-5-4(6-1)8-3-9-5;4*2-1-3;/h3-8H,1-2H3;1-4H2;3H,1-2H2;;;;;/q;;;4*-1;+4 AuxInfo=1/0/N:69,73,65,67,53,61,51,63,55,60,56,59,57,58,45,46;9,12,21,24,16,15,20,19,17,18,1,2,7,8,4,3,6,5;31,34,39,38,37,27,28,30,29;77,47,41;78,48,42;79,49,43;80,50,44;40/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16);(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16,17,18);(1,2)(4,5)(6,7)(8,9);;;;;/CRV:;15.3,17.3;8.3;4*2-1;/rA:80nSSSS3SS3SSCHHCHHCCCCCCCHHCHHSSSS3CHHCHHCCCCrSSSSN4N4NNNNCHCHCCCCCCCHCHCHCHCHHHCHHHCCCC/rB:;;;;;;;s1;s9;s9;s2s9;s12;s12;s2s3;s1s4d15;s3d4;s5d6s17;s5s8;s6s7d19;s7;s21;s21;s8s21;s24;s24;;;;;s27;s31;s31;s28s31;s34;s34;s28s29;s27s30d37;s29d30;;;;;;s40;s40;s40;s40;s40;s40;d45;s51;s51;s53;d53;s55;s45d56;d46s57;s58;d59;s60;s61;s46d61;s63;s56;s65;s59d65;s67;s55;s69;s69;s69;s60;s73;s73;s73;d41d47;d42d48;d43d49;d44d50;/rC:-.5746,1.1345,-5.9218;-2.793,-1.4966,-5.094;-2.42,-.5301,-2.3408;-.4971,1.5738,-3.0164;-.2337,2.362,.1016;-2.3042,.3953,.749;-2.4355,1.0501,3.6312;.0649,3.4267,2.8029;-.9602,-.3292,-6.8776;-.7893,-.1371,-7.8337;-.3467,-1.0565,-6.6043;-2.3731,-.8124,-6.7303;-2.5392,-1.5092,-7.4137;-2.9843,-.0572,-6.9207;-2.0015,-.3411,-4.0314;-1.14,.6316,-4.3404;-1.3857,.7614,-1.7726;-1.3067,1.1291,-.459;-.7714,2.2792,1.7775;-1.71,1.3788,2.0722;-2.0475,2.6272,4.4445;-2.5464,3.3521,3.9909;-2.3599,2.5884,5.3831;-.6088,2.9591,4.4339;-.1034,2.177,4.7702;-.4543,3.707,5.0639;6.0495,6.3331,4.6573;8.7647,7.5702,2.7849;7.4437,6.2939,.5115;5.1379,5.2588,2.059;7.2411,7.6111,5.1121;6.9189,8.4831,4.7716;7.283,7.671,6.0994;8.6309,7.3661,4.5812;8.9074,6.4461,4.8204;9.2573,7.9932,5.0222;7.3794,6.679,2.247;6.3463,6.201,2.9376;6.0202,5.2855,.5395;4.4018,4.1779,8.8331;.3211,1.9766,9.9866;2.7223,5.1218,4.4789;8.7614,5.292,7.5489;6.0409,-.0011,7.2364;3.6587,5.9313,9.6268;5.1042,4.0487,10.7886;2.7203,3.2807,9.4474;3.6336,4.4955,7.0407;6.0922,5.0608,8.3319;5.1598,2.4109,8.3265;2.9003,6.8248,9.015;2.7311,6.7258,8.0854;2.3337,7.9224,9.7011;1.7992,8.5479,9.2262;2.5476,8.096,11.0522;3.3751,7.1455,11.7225;3.8795,6.0876,10.9688;4.6902,5.0631,11.5916;4.9884,5.14,12.9578;5.7566,4.0878,13.5188;6.1865,3.0817,12.6889;6.7286,2.3816,13.0332;5.825,3.0867,11.3304;6.1119,2.3675,10.78;3.687,7.2006,13.1238;3.3495,7.9175,13.6479;4.4567,6.2459,13.7159;4.6468,6.3093,14.6445;1.8993,9.2301,11.8011;1.322,9.7361,11.1918;2.5922,9.822,12.1615;1.3616,8.8704,12.5372;6.0975,4.0768,14.9917;5.2782,3.9562,15.5157;6.5193,4.927,15.2358;6.7161,3.3399,15.1783;1.7133,2.7451,9.6534;3.2594,4.7661,5.9789;7.2064,5.1477,7.995;5.5275,1.4069,7.8837;