* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/19/01/93SRC058.mol"
Structure: 1
InChI=1/2C4H4N2S.3CH3O.W/c2*7-4-5-2-1-3-6-4;3*1-2;/h2*1-3H,(H,5,6,7);3*2H,1H2;/q;;;;;+2/p-2
AuxInfo=1/5/N:12,10,14,8,9,7,2;21,19,23,17,18,16,3;25,4;26,5;27,6;1/E:2*(2,3)(5,6);;;;/CRV:;;3*1.3;/rA:27nWSSOOONCNCHCHCHN4CNCHCHCHCCC/rB:;s1;;;;s1;d2s7;s8;d9;s10;s10;s12;s7d12;s14;s1;s3s16;d17;s18;s19;d19;s21;d16s21;s23;s1s4;s1s5;s1s6;/rC:.8131,2.4489,2.8971;.1094,1.998,.5169;.5468,1.7057,5.2743;-.5163,5.1715,2.0724;2.5999,4.5952,4.3048;3.622,2.2513,1.5688;-1.2224,1.7214,2.6522;-1.2736,1.5687,1.2716;-2.4415,1.1219,.6646;-3.5583,.8279,1.4383;-4.3397,.529,1.0322;-3.507,.9806,2.8189;-4.2542,.7839,3.3366;-2.3391,1.4274,3.4259;-2.3048,1.5296,4.3496;1.2533,.3601,3.2748;1.0031,.2465,4.6374;1.1616,-.9793,5.2733;1.5701,-2.0915,4.5466;1.6761,-2.9117,4.9721;1.8203,-1.978,3.184;2.0936,-2.7222,2.6979;1.6618,-.7522,2.5481;1.8292,-.6763,1.6365;-.02,4.218,2.3628;1.9282,3.7467,3.7832;2.6325,2.4054,2.0964;