* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/85/01/93SRC019.mol" Structure: 1 InChI=1/C6H6.4C5H3F6O2.C3H6.2Gd.5H2O.2O/c1-2-4-6-5-3-1;4*6-4(7,8)2(12)1-3(13)5(9,10)11;1-3-2;;;;;;;;;/h1-6H;4*1-2,13H;3H,1H2,2H3;;;5*1H2;;/q;4*-1;;2*+4;;;;;;;/p-4/b;4*3-1-;;;;;;;;;;/t;2-;;;;;;;;;;;;;/m.1............./s1 AuxInfo=1/1/N:66,68,76,70,74,72;44,43,46,42,47,3,4,5,6,7,8,27,28;50,49,52,48,53,9,10,11,12,13,14,29,30;55,58,57,59,54,18,19,20,15,16,17,32,31;62,64,61,65,60,24,25,26,21,22,23,34,33;82,78,80;1;2;35;36;39;40;41;37;38/E:(1,2,3,4,5,6);4*(6,7,8)(9,10,11);;;;;;;;;;/it:;im;;;;;;;;;;;;;/CRV:;4*12-1;;;;;;;;;;/rA:83nGdGdFFFFFFFFFFFFFFFFFFFFFFFFOOOOOOOOOOOOOOOCCCHCCCCCHCCCCHCCCCCCHCCCHCHCHCHCHCHCHCHCH/rB:;;;;;;;;;;;;;;;;;;;;;;;;;s1;s1;s1;s1;s2;s2;s2;s2;;;s1s2;s1s2;;;;s3s4s5;s27s42;s43;s44;s28d44;s6s7s8s46;s9s10s11;s29s48;s49;s50;s30d50;s12s13s14s52;s15s16s17;;s55;s31s54d55;s32s55;s18s19s20s58;s21s22s23;s33s60;d61;s62;s34s62;s24s25s26s64;;s66;s66;s68;d68;s70;s70;s72;d72;s74;d66s74;s76;;s78;s78;s80;d80;s82;/rC:1.8591,3.3241,13.2291;.7169,.4133,10.9111;6.1052,5.8167,14.016;4.8479,7.4428,13.4673;5.4953,7.2317,15.5079;1.8795,5.7327,18.3374;.1368,4.8275,17.5409;.5101,6.8846,17.1666;6.6851,2.1423,12.7011;6.8864,2.3775,10.5999;5.777,.7438,11.3837;3.7927,7.1262,10.4254;4.6058,5.9336,8.8577;2.4872,6.1485,9.0777;-3.2938,-2.7488,10.2256;-3.0356,-3.1251,8.2179;-3.5856,-1.2015,8.8728;1.3797,-3.6743,6.8525;2.5137,-1.9084,6.8525;2.7987,-3.3451,8.3368;-1.6306,.5009,6.4934;-1.8249,2.5352,7.0295;-.4642,1.9236,5.4896;4.7868,.9459,8.4657;4.2759,2.8238,7.7957;4.0327,1.2053,6.4707;3.6001,4.8656,13.7834;1.2363,4.6368,15.1943;3.8338,2.4004,12.2966;2.5143,4.6991,11.3155;-1.1707,-1.0451,10.2433;1.4443,-1.2752,9.3659;-.3362,1.2625,8.9007;2.4149,1.3362,9.5126;.1014,5.1263,12.643;.1014,-1.4558,12.643;1.4341,.9535,13.1361;.5584,2.7399,11.2978;2.8969,2.2771,15.2019;2.8803,-.7527,11.5051;10.638,6.4574,.9229;5.0957,6.5808,14.3928;3.8559,5.6679,14.7291;3.098,5.884,15.8391;3.4404,6.432,16.5067;1.8583,5.3335,16.0161;1.0976,5.6832,17.2804;6.0333,2.0406,11.5683;4.7465,2.8683,11.5759;4.722,4.0151,10.8072;5.4957,4.2732,10.3597;3.5661,4.8084,10.6808;3.6108,6.0099,9.7452;-2.8611,-2.2491,9.1181;-.4644,-2.3076,8.3924;-.7589,-2.8251,7.6768;-1.3757,-1.8079,9.2749;.8981,-2.0584,8.5391;1.9227,-2.7704,7.6085;-.9316,1.5981,6.6654;.139,1.3985,7.7198;1.4605,1.4672,7.3152;1.6492,1.5537,6.41;2.5182,1.4113,8.2255;3.9133,1.527,7.7122;.3434,8.2743,3.3984;.9362,7.8,2.8649;-.5948,7.6195,4.1848;-.634,6.6901,4.1848;-1.4782,8.348,4.9712;-2.0931,7.903,5.5123;-1.4483,9.7542,4.9586;-2.0661,10.2348,5.4643;-.4929,10.4357,4.1848;-.4473,11.3638,4.1772;.3673,9.6754,3.4389;1.0059,10.1165,2.9281;7.2766,10.8578,1.0999;7.8053,10.8133,1.8636;7.8729,10.9048,-.134;8.8026,10.9569,-.1947;7.1613,10.8768,-1.2264;7.5635,10.8692,-2.0633;