* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/09/71/01/03src0134.mol"
Structure: 1
InChI=1/2C18H22N10O2.C18H20N10O2.5CHF3O3S.CHF3.CH2F2.FH.HO3S.H2O2S.11H2O.4Pb.2H/c3*19-15(25-27-17(29)11-5-1-3-7-21-11)13-9-14(24-10-23-13)16(20)26-28-18(30)12-6-2-4-8-22-12;5*2-1(3,4)8(5,6)7;2-1(3)4;2-1-3;;1-3-4-2;1-2-3;;;;;;;;;;;;;;;;;/h2*1-10,15-18,25-28H,19-20H2;1-10,15-18,27-28H,19-20H2;5*(H,5,6,7);1H;1H2;1H;1H;1,3H;11*1H2;;;;;;/q2*-2;-4;;;;;;;;;;;;;;;;;;;;;;4*+2;;
AuxInfo=1/1/N:53,71,51,73,55,69,49,75,63,61,57,68,60,65,59,66,58,67,81,86,77,92,84,85,79,89,78,90,93,94;99,117,97,119,101,115,95,121,109,107,103,114,106,111,105,112,104,113,127,132,123,138,130,131,126,135,124,137,139,140;9,27,7,29,11,25,5,31,19,17,13,24,16,21,15,22,14,23,36,41,33,46,39,40,35,44,34,45,47,48;141,145,146,147,142,143,144,148;149,153,154,155,150,151,152,156;157,161,162,163,158,159,160,164;165,169,170,171,166,167,168,172;173,177,178,179,174,175,176,180;189,185,193,194;181,186,195;187;183,190,191,188;192,184,196;197;200;203;206;209;212;215;218;221;224;182;1;2;3;4;227;228/E:3*(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30);5*(2,3,4)(5,6,7);(2,3,4);(2,3);;;;;;;;;;;;;;;;;;;;/CRV:2*29-1,30-1;25-1,26-1,29-1,30-1;5*8.6;;;;4.3;;;;;;;;;;;;;;;;;;/rA:226nPbPbPbPbCHCHCHCHCCCCCHCHCCCCCHCHCHCHN4NNNHHNNNHHNNN4OOCHCHCHCHCCCCCHCHCCCCCHCHCHCHN4NNHNHHNNNHHNNHN4OOCHCHCHCHCCCCCHCHCCCCCHCHCHCHN4NHNNHHNNNHHNHNN4OOCOOOFFFSCOOOFFFSCOOOFFFSCOOOFFFSCOOOFFFSCOOOFFFS3COOOFFFSOHHOHHOHHOHHOHHOHHOHHOHHOHHOHH/rB:;;;;s5;d5;s7;s7;s9;d9;s11;s11;s13;;s15;;s17;s16;s19;d19;s21;;s23;d24;s25;s25;s27;d27;s29;s29;s31;s1s5d13;s14;s2s15s34;s15;s36;s36;d16s17;d17s21;s22;s41;s41;s3s22;s23s44;s4s24d31;s1s14;s4s23;;s49;s49;s51;d51;s53;s53;s55;d55;s57;;s59;;s61;s60;s63;d63;s65;;s67;d68;s69;s69;s71;d71;s73;s73;s75;s1d49s57;s58;s59s78;s79;s59;s81;s81;d60s61;d61s65;s66;s86;s86;s66;s67s89;s90;s3s68d75;s1s58;s3s67;;s95;s95;s97;d97;s99;s99;s101;d101;s103;;s105;;s107;s106;s109;d109;s111;;s113;d114;s115;s115;s117;d117;s119;s119;s121;s2d95s103;s104;s124;s105s124;s105;s127;s127;d106s107;d107s111;s112;s132;s132;s112;s135;s113s135;s4s114d121;s2s104;s4s113;;;;;s141;s141;s141;s141d142d143s144;;;;;s149;s149;s149;s149d150d151s152;;;;;s157;s157;s157;s157d158s159d160;;;;;s165;s165;s165;s165s166d167d168;;;;;s173;s173;s173;s173d174d175s176;;;;;;s181;;;s185;d188;s183s188;s184;s189;s189;s181;s184;;s197;s197;;s200;s200;;s203;s203;;s206;s206;;s209;s209;;s212;s212;;s215;s215;;s218;s218;;s221;s221;;s224;s224;/rC:1.6714,4.989,-1.9065;2.9972,4.6264,1.9683;3.5191,3.6787,8.8458;3.6446,2.4964,12.6484;2.0587,8.2866,-3.3207;1.6696,7.8564,-4.073;2.5096,9.5931,-3.4672;2.4477,10.041,-4.3028;3.0543,10.2257,-2.3543;3.3403,11.13,-2.4084;3.1761,9.5191,-1.1592;3.5661,9.9235,-.3932;2.7142,8.2108,-1.114;2.8309,7.3727,.1228;3.8583,7.6638,3.3467;3.9655,6.7993,4.5587;3.653,4.7445,5.5006;3.4322,3.8276,5.3864;4.4016,7.284,5.7915;4.7005,8.1805,5.8897;4.3836,6.4086,6.8726;4.7077,6.8314,8.2656;4.629,5.4156,11.3561;4.9801,5.7207,12.7801;5.505,6.9391,13.1709;5.6725,7.6241,12.5342;5.7815,7.1361,14.52;6.1364,7.9628,14.8251;5.529,6.1005,15.4149;5.7036,6.2104,16.3422;5.0244,4.9202,14.9363;4.859,4.2158,15.552;2.1456,7.6026,-2.1693;3.3307,7.9508,1.1768;3.4309,7.0736,2.2663;4.2185,8.9459,3.4247;4.1762,9.459,2.711;4.4985,9.2784,4.1898;3.5905,5.5152,4.4144;3.9897,5.1249,6.7158;5.1098,8.0858,8.507;5.2531,8.3506,9.3339;5.2307,8.6454,7.8387;4.5035,5.9362,9.1911;4.8287,6.3605,10.4788;4.7517,4.7115,13.6332;2.4177,6.1433,.0542;4.1957,4.2228,11.1021;-1.5584,6.1727,-1.0663;-1.3207,6.8674,-1.6692;-2.8172,6.176,-.5283;-3.433,6.8658,-.746;-3.1788,5.1581,.3382;-4.0474,5.1368,.7222;-2.2512,4.1696,.6364;-2.4764,3.4576,1.2236;-.9831,4.2388,.0599;.0876,3.2352,.3623;.3908,.1487,1.8389;1.4551,-.7197,2.4123;2.2156,-2.8029,2.8293;2.1314,-3.7399,2.6971;2.4901,-.1757,3.1575;2.5961,.7631,3.2574;3.3648,-1.0806,3.751;4.458,-.6494,4.6817;5.2049,1.6544,6.8866;6.304,2.1236,7.7844;7.5721,1.5838,7.8006;7.8005,.8766,7.2089;8.5068,2.0819,8.6862;9.38,1.71,8.7264;8.1488,3.1379,9.5191;8.78,3.5202,10.1175;6.8566,3.6169,9.4562;6.6133,4.3384,10.0243;-.6354,5.2221,-.7771;-.3245,2.1766,1.0018;.7155,1.3104,1.3364;1.5569,1.537,1.214;-.8663,-.2546,1.9051;-1.5112,.2641,1.606;-1.0583,-1.0419,2.2483;1.2942,-2.0415,2.2493;3.2466,-2.4013,3.5769;5.1286,-1.6179,5.298;5.7365,-1.4168,5.9017;4.9645,-2.46,5.1023;4.5811,.63,4.8556;5.572,.9626,5.8128;6.4094,.7173,5.6989;5.9321,3.1147,8.6348;1.2914,3.4974,.0108;4.0065,1.897,7.145;.1569,6.5815,2.4471;.6786,7.1626,1.9061;-1.1109,6.9997,2.8447;-1.441,7.852,2.5858;-1.8786,6.1579,3.6193;-2.7437,6.4229,3.909;-1.3685,4.9196,3.9685;-1.8877,4.311,4.4808;-.0859,4.5806,3.5582;.6125,3.2926,3.9589;-.1583,.3419,5.4929;.5627,-.8301,6.0821;.7756,-3.0799,6.2993;.4563,-3.948,6.0828;1.6671,-.6361,6.9069;1.9884,.2309,7.1253;2.2699,-1.7907,7.3903;3.4569,-1.7507,8.2887;4.868,.5287,10.4621;6.0553,.6909,11.3334;7.2059,-.0819,11.1984;7.2488,-.7736,10.5486;8.2805,.1719,12.021;9.0729,-.3465,11.9449;8.2007,1.1826,12.9558;8.9399,1.3869,13.5164;7.0109,1.8953,13.0574;6.9405,2.5743,13.7181;.6706,5.3976,2.7944;-.072,2.4761,4.7513;-.9154,2.6277,4.9516;.6122,1.3631,5.2528;-1.4615,.2042,5.2478;-1.9108,.8621,4.8742;-1.8723,-.5447,5.4595;.0993,-2.0423,5.7773;1.8459,-3.018,7.0879;4.2458,-2.7953,8.3464;4.96,-2.7794,8.8603;4.0615,-3.5128,7.8714;3.6861,-.6535,8.9778;3.1177,.0177,8.9507;4.8433,-.5701,9.7519;5.9654,1.663,12.2642;1.7568,3.0604,3.553;3.9575,1.4491,10.4701;6.4648,3.1729,-1.5429;3.9655,3.6311,-1.2215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