* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/99/01/94SRC207.mol"
Structure: 1
InChI=1/C14H13.C5H12S2.CH3O.CH4S.2HI.W/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-7-5-4-6-2;2*1-2;;;/h1-11H,12H2;3-5H2,1-2H3;2H,1H2;2H,1H3;2*1H;
AuxInfo=1/0/N:27,13,25,29,11,15,23,31,9,17,21,20,22,19;46,33,43,37,40,4,5;8,7;49,6;1;2;3/E:(3,4)(5,6)(7,8)(9,10);;;;;;/CRV:11.3;;1.3;;;;/rA:52nIIWSSSOCCHCHCHCHCHCCCCCHCHCHCHCHCHHHCHHCHHCHHCHHCHHH/rB:;;;;;;s3s7;;s9;s9;s11;d11;s13;s13;s15;d15;s17;d9s17;s19;s3s20;s21;s22;s23;d23;s25;s25;s27;d27;s29;d22s29;s31;s4;s33;s33;s33;s4;s37;s37;s5s37;s40;s40;s5;s43;s43;s43;s46;s46;s6;s49;s49;s49;/rC:-.9806,-.0591,5.5668;1.5891,-.0553,2.581;-.1551,1.8502,3.6207;-2.1333,3.1468,4.3321;-1.8437,.8582,1.9498;-4.7221,3.1077,-1.5182;1.8746,2.4127,5.9082;1.1022,2.2157,5.0433;2.4039,5.0211,4.3089;1.8959,4.8916,5.102;3.5632,5.8483,4.361;3.8363,6.2612,5.1715;4.2627,6.0251,3.2159;5.0202,6.5986,3.2224;3.9154,5.4043,2.0491;4.4565,5.5002,1.2755;2.7678,4.6338,2.0078;2.496,4.2493,1.1842;1.999,4.4085,3.1529;.8903,3.4963,3.0508;-.0102,3.2048,2.1273;-.5816,3.8363,.93;-.865,5.2127,.9561;-.6832,5.7228,1.7362;-1.3932,5.8024,-.1304;-1.5632,6.7362,-.1;-1.6895,5.1399,-1.2429;-2.1271,5.5838,-1.96;-1.3538,3.7905,-1.3537;-1.465,3.3276,-2.1773;-.8549,3.1428,-.239;-.6977,2.2076,-.2738;-2.5708,3.2075,6.0863;-1.916,3.754,6.5665;-2.5721,2.2994,6.4536;-3.4629,3.6015,6.1863;-3.5568,2.1968,3.72;-3.6467,1.3548,4.2328;-4.388,2.7217,3.8352;-3.3376,1.8811,2.2251;-3.2487,2.7298,1.7231;-4.1297,1.402,1.8731;-2.4263,-.8245,2.3793;-1.6646,-1.3656,2.7053;-3.0977,-.7678,3.1029;-3.0373,-1.4897,1.1712;-2.3437,-1.5828,.4715;-3.7505,-.9041,.8127;-6.1396,4.0738,-1.9534;-5.8666,5.0022,-2.1099;-6.7932,4.0428,-1.2255;-6.5437,3.7122,-2.7705;