ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Jul07-2020 11:15:54 GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6413,-6.0094,-1.9295;4.9683,-3.2346,-1.9209;3.9551,-3.4301,-5.2374;1.2657,-7.0081,-3.535;1.765,-5.5084,-4.3879;2.6777,-7.9485,-4.7182;1.0352,-5.0956,-1.9638;-.4653,-7.6001,-4.3531;1.7724,-8.5401,-2.3759;3.5771,-5.9173,-2.2872;4.8033,-5.1469,-4.5183;1.7619,-3.503,-2.1665;3.524,-4.143,-2.9758;2.7434,-8.6158,-2.1878;3.3807,-2.9624,-4.5928;4.2052,-5.87,-4.8024;2.8101,-7.3364,-5.4686;-.8436,-8.4562,-4.0204;5.2503,-2.2974,-2.1823;2.0834,-2.9696,-1.4359;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.O ADF 2019 Jul07-2020 11:15:51 1 1 Oxygen TZP 1s t21.H ADF 2019 Jul07-2020 11:15:50 1 1 Hydrogen TZP t21.Mo ADF 2019 Jul07-2020 11:15:49 1 1 Molybdenum TZP 4p 1 1 -4.30585329 0.14119180 0.00100000 F 0.03838903 0.00066667 F 0.14119180 0.03838903 0.30039169 0.01000000 F 0.09531303 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.4566,-5.9907,-1.9579;5.0104,-3.4081,-1.9523;3.8995,-3.3931,-5.2613;1.2382,-6.9569,-3.4965;1.6996,-5.473,-4.3641;2.7598,-7.826,-4.5666;.7348,-5.0329,-1.9765;-.3772,-7.6482,-4.3899;1.7809,-8.4124,-2.2827;3.5672,-5.9685,-2.4581;4.765,-5.0892,-4.6703;1.8413,-3.6086,-2.1774;3.5721,-4.2077,-3.0268;2.7409,-8.4374,-2.0575;3.3867,-2.9426,-4.5483;4.2057,-5.8489,-4.9375;2.9041,-7.2288,-5.3299;-.7034,-8.5164,-4.05;5.2759,-2.4714,-2.1723;2.1529,-3.1323,-1.3838;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 2 2 -4.33145658 0.10742562 0.00100000 F 0.02806345 0.00066667 F 0.10742562 0.02806345 0.29830222 0.01000000 F 0.11206191 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7244,-5.9632,-1.9139;4.8146,-3.4508,-1.8546;4.0073,-3.4602,-5.2276;1.2838,-6.9393,-3.5079;1.6987,-5.478,-4.3852;2.6198,-7.8725,-4.7168;1.0331,-5.0131,-1.9287;-.3861,-7.5291,-4.2326;1.8907,-8.3777,-2.3475;3.4345,-5.8853,-2.441;4.8098,-5.0924,-4.5344;1.7632,-3.6342,-2.3809;3.5398,-4.2289,-3.0175;2.8582,-8.4431,-2.2155;3.4628,-2.9996,-4.5364;4.3139,-5.8813,-4.8355;2.7158,-7.2954,-5.5051;-.6865,-8.3816,-3.8522;5.0684,-2.5356,-2.0864;1.9446,-3.1316,-1.5398;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 3 3 -4.35453137 0.04848135 0.00100000 F 0.01370917 0.00066667 F 0.04848135 0.01370917 0.30781286 0.01000000 F 0.11832023 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6328,-6.1892,-1.8406;4.8755,-3.3967,-1.9293;3.9542,-3.6115,-5.2697;1.2713,-6.9625,-3.498;1.6194,-5.4111,-4.2382;2.6529,-7.7156,-4.7644;.8583,-5.2157,-1.7658;-.3392,-7.5489,-4.2986;1.941,-8.465,-2.4746;3.3487,-5.7438,-2.278;4.701,-5.2291,-4.4345;1.8498,-3.3983,-2.3959;3.5528,-4.1783,-2.9863;2.9097,-8.5133,-2.3522;3.4883,-3.0666,-4.583;4.2282,-6.0749,-4.5786;2.7304,-7.0747,-5.5035;-.595,-8.4487,-4.0038;5.1731,-2.5253,-2.2558;2.0577,-2.8238,-1.6089;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 4 4 -4.35806292 0.04690557 0.00100000 F 0.01234062 0.00066667 F 0.04690557 0.01234062 0.24556410 0.01000000 F 0.07807666 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.5303,-6.1265,-1.8901;4.931,-3.415,-1.9969;3.771,-3.5111,-5.3032;1.2439,-6.9423,-3.4875;1.6164,-5.3952,-4.2246;2.6799,-7.7009,-4.6793;.6954,-5.145,-1.8659;-.314,-7.536,-4.3475;1.8856,-8.4085,-2.4026;3.5079,-5.8251,-2.3723;4.6732,-5.1679,-4.5258;1.9224,-3.5235,-2.3153;3.6078,-4.2169,-3.0117;2.8532,-8.4855,-2.2687;3.377,-3.0269,-4.5379;4.4738,-6.1279,-4.4735;2.748,-7.116,-5.4634;-.5778,-8.4401,-4.0602;5.1708,-2.5124,-2.3111;2.1152,-2.9702,-1.5222;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 5 5 -4.36519703 0.04023815 0.00100000 F 0.01117101 0.00066667 F 0.04023815 0.01117101 0.24155695 0.01000000 F 0.05059900 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.5624,-6.0939,-1.8802;4.9374,-3.4749,-1.9818;3.6519,-3.5179,-5.3694;1.2344,-6.9304,-3.4952;1.5809,-5.3807,-4.2481;2.6834,-7.684,-4.6761;.6705,-5.1111,-1.8969;-.3442,-7.5346,-4.331;1.9209,-8.3593,-2.3811;3.4415,-5.9008,-2.3757;4.5662,-5.1503,-4.5731;1.935,-3.4976,-2.3236;3.5954,-4.2565,-3.0302;2.8933,-8.474,-2.3038;3.3686,-3.0408,-4.5607;4.7153,-6.0936,-4.3368;2.7866,-7.0877,-5.4483;-.6037,-8.4484,-4.0603;5.207,-2.5678,-2.2805;2.108,-2.9885,-1.5067;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 6 6 -4.36989860 0.03720043 0.00100000 F 0.00826175 0.00066667 F 0.03720043 0.00826175 0.15601227 0.01000000 F 0.07636273 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.5891,-6.0294,-1.9082;4.9299,-3.4435,-1.9914;3.5977,-3.3751,-5.3848;1.2341,-6.9494,-3.4949;1.6519,-5.4407,-4.2965;2.6662,-7.84,-4.595;.7979,-5.0634,-1.9376;-.3612,-7.4869,-4.3582;1.7868,-8.3851,-2.3172;3.5765,-5.913,-2.4614;4.5847,-5.0329,-4.6464;1.9352,-3.6025,-2.2989;3.6192,-4.2521,-3.0687;2.7455,-8.5611,-2.2128;3.3041,-2.9758,-4.5386;4.7695,-5.9765,-4.4451;2.9158,-7.2285,-5.3198;-.6834,-8.3759,-4.0813;5.1613,-2.5206,-2.2556;2.0901,-3.1404,-1.4473;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 7 7 -4.37214256 0.02351200 0.00100000 F 0.00510957 0.00066667 F 0.02351200 0.00510957 0.16765989 0.01000000 F 0.04335604 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6917,-6.0275,-1.8881;4.8812,-3.3829,-1.9765;3.6204,-3.3473,-5.4062;1.2459,-6.9625,-3.5018;1.6929,-5.4739,-4.3194;2.6254,-7.8783,-4.6381;.9656,-5.0695,-1.9172;-.3931,-7.4455,-4.3234;1.7594,-8.4309,-2.3425;3.5932,-5.8615,-2.4219;4.6211,-5.0494,-4.598;1.8947,-3.6051,-2.3399;3.6119,-4.2334,-3.0752;2.7091,-8.6588,-2.2782;3.3004,-2.9693,-4.5577;4.7651,-5.9945,-4.3763;2.9179,-7.2445,-5.3273;-.7361,-8.3235,-4.0451;5.1168,-2.4719,-2.259;2.0277,-3.1627,-1.4681;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 8 8 -4.37326638 0.01173749 0.00100000 F 0.00388961 0.00066667 F 0.01173749 0.00388961 0.10850259 0.01000000 F 0.04338002 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7304,-5.9765,-1.9158;4.8689,-3.3595,-1.981;3.5575,-3.2982,-5.4253;1.2359,-6.9706,-3.504;1.7357,-5.5084,-4.3393;2.6138,-7.9269,-4.5951;1.0328,-5.021,-1.9999;-.4148,-7.4215,-4.3203;1.693,-8.4423,-2.3196;3.6588,-5.859,-2.4185;4.6262,-4.9916,-4.6205;1.896,-3.6519,-2.3237;3.627,-4.2434,-3.0869;2.6244,-8.7432,-2.2886;3.2691,-2.9645,-4.5493;4.87,-5.9118,-4.3865;2.9609,-7.3012,-5.2648;-.7822,-8.2862,-4.0302;5.0857,-2.444,-2.2664;2.0216,-3.2712,-1.424;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 9 9 -4.37395570 0.01694899 0.00100000 F 0.00428042 0.00066667 F 0.01694899 0.00428042 0.12645353 0.01000000 F 0.04116651 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7261,-6.0188,-1.8891;4.8751,-3.292,-2.0063;3.5171,-3.3013,-5.4641;1.2063,-6.9845,-3.4918;1.7561,-5.5223,-4.3032;2.6067,-7.9316,-4.5534;1.0499,-5.0614,-1.9686;-.4426,-7.3992,-4.33;1.6286,-8.4989,-2.3425;3.7103,-5.8223,-2.3722;4.6569,-4.9685,-4.6158;1.9091,-3.6226,-2.3317;3.6519,-4.2287,-3.0943;2.5357,-8.8697,-2.372;3.2666,-2.976,-4.5753;4.987,-5.8537,-4.3523;2.9779,-7.3023,-5.2054;-.8211,-8.2655,-4.0557;5.0783,-2.3803,-2.3208;2.0351,-3.2932,-1.4153;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 10 10 -4.37481143 0.00913709 0.00100000 F 0.00286452 0.00066667 F 0.00913709 0.00286452 0.18557911 0.01000000 F 0.06886928 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7295,-6.0226,-1.8965;4.8922,-3.1767,-2.0637;3.392,-3.2872,-5.4889;1.1735,-6.9962,-3.4863;1.8262,-5.5582,-4.2714;2.6162,-7.9719,-4.4549;1.0859,-5.0679,-1.9984;-.4597,-7.3506,-4.3799;1.4974,-8.5457,-2.3449;3.8561,-5.7688,-2.333;4.725,-4.9278,-4.6245;1.9338,-3.6697,-2.2835;3.6989,-4.2076,-3.1036;2.3502,-9.0201,-2.4441;3.1994,-2.9863,-4.5784;5.1084,-5.7917,-4.3556;3.0409,-7.3523,-5.0831;-.8715,-8.2051,-4.114;5.032,-2.2627,-2.4089;2.0845,-3.4239,-1.346;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 11 11 -4.37607588 0.00717080 0.00100000 F 0.00293762 0.00066667 F 0.00717080 0.00293762 0.29885770 0.01000000 F 0.10548012 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7362,-6.045,-1.8928;4.8986,-3.0087,-2.1514;3.2084,-3.3202,-5.5111;1.1368,-7.007,-3.4793;1.9343,-5.6141,-4.2166;2.6226,-8.0459,-4.3049;1.1562,-5.1022,-1.9839;-.4577,-7.2543,-4.4735;1.2902,-8.5965,-2.3527;4.088,-5.6801,-2.2964;4.8127,-4.842,-4.652;1.9822,-3.7593,-2.2142;3.769,-4.1775,-3.117;2.0513,-9.1897,-2.5294;3.0995,-3.0307,-4.5834;5.2795,-5.6659,-4.3878;3.1336,-7.446,-4.8867;-.9287,-8.0861,-4.2342;4.9289,-2.098,-2.5318;2.1693,-3.6235,-1.2606;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 12 12 -4.37723770 0.01160730 0.00100000 F 0.00345633 0.00066667 F 0.01160730 0.00345633 0.16835320 0.01000000 F 0.06852393 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.719,-6.0559,-1.913;4.9168,-2.9201,-2.2165;3.056,-3.3739,-5.4849;1.1335,-7.0165,-3.4883;2.0106,-5.6505,-4.1835;2.6454,-8.1105,-4.2027;1.1514,-5.1139,-1.9822;-.4105,-7.1965,-4.5753;1.1466,-8.6054,-2.3521;4.2308,-5.6307,-2.3006;4.8368,-4.7843,-4.6851;2.0402,-3.8217,-2.1276;3.8066,-4.1556,-3.1171;1.8829,-9.2308,-2.5191;3.012,-3.0637,-4.5575;5.3262,-5.6012,-4.4435;3.1952,-7.5344,-4.774;-.9296,-8.0041,-4.3568;4.8641,-2.0132,-2.6004;2.2768,-3.7101,-1.1794;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 13 13 -4.37831298 0.01099762 0.00100000 F 0.00314686 0.00066667 F 0.01099762 0.00314686 0.30385619 0.01000000 F 0.11992729 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7046,-6.0808,-1.923;4.9263,-2.7761,-2.3206;2.8068,-3.47,-5.4307;1.1437,-7.037,-3.488;2.1507,-5.7276,-4.1134;2.6624,-8.2412,-4.0069;1.1931,-5.1596,-1.9226;-.2942,-7.0763,-4.7337;.8846,-8.6285,-2.3813;4.4508,-5.5357,-2.3451;4.8559,-4.6726,-4.7559;2.1387,-3.9042,-2.0285;3.8623,-4.1075,-3.1375;1.5791,-9.3055,-2.5229;2.8772,-3.1123,-4.5217;5.3958,-5.4647,-4.5457;3.297,-7.7079,-4.5302;-.9069,-7.8284,-4.5711;4.7504,-1.8817,-2.6929;2.4325,-3.8753,-1.0881;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 14 14 -4.37965949 0.01389028 0.00100000 F 0.00391281 0.00066667 F 0.01389028 0.00391281 0.19994448 0.01000000 F 0.08037045 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7049,-6.0473,-1.9512;4.9399,-2.7241,-2.3777;2.6247,-3.5382,-5.357;1.162,-7.0558,-3.479;2.2437,-5.7889,-4.062;2.6911,-8.3026,-3.8559;1.218,-5.1417,-1.9491;-.1787,-7.0241,-4.8352;.7025,-8.6417,-2.4215;4.5603,-5.4965,-2.4084;4.8206,-4.592,-4.8207;2.2146,-3.9502,-1.9665;3.8853,-4.0862,-3.1555;1.3904,-9.3364,-2.4962;2.785,-3.1375,-4.4777;5.384,-5.3749,-4.6465;3.376,-7.7858,-4.3303;-.8517,-7.7303,-4.7137;4.704,-1.8327,-2.72;2.5345,-4.0061,-1.0357;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 15 15 -4.38115345 0.00980906 0.00100000 F 0.00354882 0.00066667 F 0.00980906 0.00354882 0.23273384 0.01000000 F 0.06926345 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6875,-6.0142,-1.9872;4.9551,-2.7042,-2.4152;2.4733,-3.5583,-5.2887;1.1753,-7.0591,-3.4812;2.3174,-5.8346,-4.0423;2.6802,-8.3556,-3.7072;1.229,-5.1278,-1.9943;-.0908,-7.0023,-4.9077;.5768,-8.6427,-2.4778;4.6318,-5.4819,-2.4756;4.7798,-4.5118,-4.8856;2.2882,-3.9837,-1.9268;3.9032,-4.0783,-3.1839;1.2491,-9.3581,-2.4661;2.7143,-3.1416,-4.4371;5.404,-5.254,-4.7408;3.4306,-7.8611,-4.0976;-.8018,-7.675,-4.8077;4.6912,-1.8066,-2.723;2.6169,-4.1421,-1.0137;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 16 16 -4.38270912 0.00837635 0.00100000 F 0.00277104 0.00066667 F 0.00837635 0.00277104 0.17135041 0.01000000 F 0.05157372 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6774,-5.9811,-2.0198;4.9615,-2.694,-2.4373;2.3736,-3.5847,-5.2327;1.1908,-7.0573,-3.4854;2.3769,-5.8685,-4.0351;2.682,-8.3699,-3.5996;1.256,-5.1216,-2.0139;-.023,-6.9933,-4.9564;.4814,-8.6355,-2.5365;4.6751,-5.4801,-2.5286;4.7585,-4.441,-4.9351;2.3372,-4.022,-1.9082;3.913,-4.0759,-3.2032;1.1343,-9.3583,-2.4158;2.6611,-3.1516,-4.4041;5.3991,-5.1759,-4.8249;3.469,-7.8859,-3.9262;-.7577,-7.6423,-4.8666;4.6815,-1.7909,-2.716;2.663,-4.2632,-1.0143;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 17 17 -4.38372260 0.00724884 0.00100000 F 0.00277797 0.00066667 F 0.00724884 0.00277797 0.30042216 0.01000000 F 0.09579582 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6292,-5.9728,-2.0612;4.9867,-2.6324,-2.5344;2.1756,-3.6807,-5.0903;1.2015,-7.0588,-3.4923;2.4603,-5.9092,-3.9632;2.6709,-8.3867,-3.4019;1.2404,-5.1351,-2.0118;.1194,-6.9672,-5.0635;.3229,-8.6251,-2.6598;4.7949,-5.431,-2.5883;4.6996,-4.376,-5.0066;2.4667,-4.0528,-1.8199;3.9451,-4.0618,-3.2255;.9232,-9.3721,-2.4496;2.5628,-3.2051,-4.3285;5.3743,-5.0859,-4.945;3.5004,-7.9147,-3.6258;-.6454,-7.586,-5.0264;4.6527,-1.7401,-2.788;2.8297,-4.3994,-.9775;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 18 18 -4.38386333 0.01231481 0.00100000 F 0.00399249 0.00066667 F 0.01231481 0.00399249 0.05290459 0.01000000 F 0.01704269 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6264,-5.9532,-2.0745;4.9773,-2.6303,-2.535;2.1543,-3.6962,-5.0747;1.2065,-7.0489,-3.4959;2.4762,-5.9143,-3.9743;2.6636,-8.3817,-3.3691;1.2506,-5.1275,-2.0116;.1315,-6.9673,-5.0721;.3082,-8.6111,-2.6777;4.8093,-5.4355,-2.6095;4.7063,-4.3509,-5.0194;2.479,-4.0875,-1.8226;3.9487,-4.0658,-3.2323;.8904,-9.3575,-2.4224;2.5467,-3.2165,-4.3181;5.3902,-5.0529,-4.9688;3.5009,-7.9175,-3.5815;-.632,-7.5874,-5.0335;4.6355,-1.7387,-2.7791;2.8413,-4.4523,-.9875;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 19 19 -4.38442281 0.00758609 0.00100000 F 0.00314335 0.00066667 F 0.00758609 0.00314335 0.10550357 0.01000000 F 0.03377769 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6474,-5.9057,-2.0969;4.9451,-2.6273,-2.5338;2.1138,-3.7216,-5.057;1.2078,-7.0271,-3.5016;2.4997,-5.9252,-4.0011;2.6603,-8.3459,-3.2973;1.3233,-5.1216,-2.006;.1315,-6.9686,-5.078;.2765,-8.5809,-2.7143;4.8373,-5.4374,-2.6349;4.729,-4.3169,-5.0366;2.4913,-4.1573,-1.8271;3.9524,-4.0794,-3.2462;.8109,-9.3401,-2.4039;2.5206,-3.2425,-4.3075;5.4332,-4.9996,-5.0005;3.5044,-7.8906,-3.5047;-.6167,-7.6059,-5.034;4.5854,-1.7416,-2.7693;2.8578,-4.5578,-1.0091;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 20 20 -4.38526549 0.01233731 0.00100000 F 0.00328499 0.00066667 F 0.01233731 0.00328499 0.15981261 0.01000000 F 0.05788905 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6392,-5.8578,-2.1401;4.9242,-2.605,-2.5667;2.0113,-3.7809,-4.9721;1.2207,-7.0056,-3.509;2.5543,-5.9492,-4.0032;2.6343,-8.3301,-3.1506;1.3536,-5.1129,-1.9906;.1975,-6.9626,-5.1247;.2118,-8.5357,-2.7857;4.9,-5.4202,-2.6893;4.7193,-4.2652,-5.0798;2.5579,-4.2398,-1.797;3.9639,-4.0824,-3.2684;.6726,-9.3084,-2.4023;2.4656,-3.2806,-4.2645;5.4454,-4.9251,-5.0752;3.4974,-7.9043,-3.3449;-.5395,-7.613,-5.1016;4.5262,-1.7306,-2.7784;2.9554,-4.6835,-1.0156;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 21 21 -4.38566063 0.01131041 0.00100000 F 0.00357922 0.00066667 F 0.01131041 0.00357922 0.09290362 0.01000000 F 0.03331691 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6352,-5.8413,-2.1609;4.9151,-2.5867,-2.6024;1.9389,-3.7991,-4.9094;1.2261,-6.9969,-3.5114;2.5879,-5.9713,-4.0001;2.6145,-8.3241,-3.0601;1.3704,-5.1148,-1.9771;.2307,-6.9423,-5.1489;.1821,-8.5169,-2.8311;4.9316,-5.3999,-2.7054;4.7015,-4.263,-5.0984;2.6018,-4.2648,-1.7621;3.966,-4.0816,-3.2811;.605,-9.3104,-2.4469;2.4399,-3.2905,-4.2405;5.4408,-4.908,-5.102;3.4871,-7.9167,-3.252;-.4853,-7.6153,-5.151;4.4967,-1.7214,-2.8127;3.0249,-4.7277,-1.0062;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 22 22 -4.38607313 0.00874851 0.00100000 F 0.00232487 0.00066667 F 0.00874851 0.00232487 0.09718564 0.01000000 F 0.03109796 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6791,-5.8157,-2.155;4.8681,-2.5777,-2.6211;1.8869,-3.7842,-4.8971;1.2242,-6.9772,-3.5004;2.6133,-6.0066,-4.0379;2.6123,-8.3037,-2.9937;1.4526,-5.1054,-1.9498;.1879,-6.8798,-5.1197;.1927,-8.4991,-2.8469;4.9288,-5.3847,-2.6791;4.7203,-4.3029,-5.0875;2.59,-4.2946,-1.7417;3.9509,-4.0927,-3.2939;.5915,-9.3393,-2.5441;2.4398,-3.2892,-4.2597;5.4689,-4.9365,-5.0711;3.4819,-7.9252,-3.2471;-.4616,-7.6151,-5.156;4.4357,-1.727,-2.8638;3.0477,-4.7364,-.994;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 23 23 -4.38658158 0.01098735 0.00100000 F 0.00378930 0.00066667 F 0.01098735 0.00378930 0.12123491 0.01000000 F 0.04188188 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.6931,-5.802,-2.1572;4.8509,-2.5475,-2.6697;1.7997,-3.8486,-4.8025;1.2266,-6.9702,-3.4882;2.6473,-6.0332,-4.0109;2.5937,-8.2914,-2.902;1.4821,-5.0897,-1.9459;.2184,-6.8313,-5.1265;.1543,-8.4923,-2.9059;4.9705,-5.3607,-2.6799;4.7096,-4.3073,-5.1057;2.6373,-4.3046,-1.717;3.9667,-4.0971,-3.3101;.5296,-9.3605,-2.6559;2.4121,-3.3385,-4.2355;5.4687,-4.9286,-5.0976;3.4698,-7.9099,-3.1258;-.4111,-7.5812,-5.2029;4.3906,-1.714,-2.9224;3.1013,-4.7844,-.9981;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 24 24 -4.38699854 0.01238116 0.00100000 F 0.00317310 0.00066667 F 0.01238116 0.00317310 0.05901263 0.01000000 F 0.02135304 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;1;2;15;6;8;9;11;12;5;10/rA:20nOOHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7161,-5.8131,-2.1308;4.8474,-2.5418,-2.6684;1.8054,-3.8637,-4.8069;1.2292,-6.9759,-3.47;2.6398,-6.032,-4.0071;2.6082,-8.3121,-2.9323;1.4938,-5.0649,-1.9574;.1946,-6.7992,-5.0887;.1665,-8.5111,-2.8904;4.9516,-5.3633,-2.6488;4.7271,-4.3204,-5.0936;2.6088,-4.2796,-1.7395;3.9721,-4.0967,-3.3102;.5707,-9.3851,-2.715;2.4248,-3.3502,-4.2506;5.4708,-4.9599,-5.075;3.4773,-7.915,-3.1541;-.4406,-7.544,-5.1755;4.3927,-1.7105,-2.9391;3.0548,-4.7544,-1.0062;/R:/0/N:4,1,6,8,9,5;13,2,11,12,15,10/E:2*(2,3,4,5)/CRV:2*6.1 25 25 -4.38750442 0.01054134 0.00100000 F 0.00311311 0.00066667 F 0.01054134 0.00311311 0.23773565 0.01000000 F 0.05887132 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.7784,-5.8129,-2.084;4.8013,-2.5052,-2.7248;1.7217,-3.9416,-4.7264;1.2541,-6.969,-3.4165;2.687,-6.0833,-3.9994;2.6026,-8.3597,-2.8838;1.5921,-5.0421,-1.9;.1887,-6.6623,-5.0049;.1749,-8.5335,-2.9436;4.9148,-5.3412,-2.5815;4.753,-4.355,-5.0867;2.5799,-4.2481,-1.7595;3.9734,-4.0978,-3.3337;.5859,-9.4223,-2.9527;2.4103,-3.4132,-4.2748;5.4716,-5.0222,-5.051;3.4745,-7.9684,-3.1035;-.4169,-7.4176,-5.1723;4.3436,-1.6964,-3.0524;3.0201,-4.701,-1.0084;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 26 26 -4.38822614 0.01694165 0.00100000 F 0.00489775 0.00066667 F 0.01694165 0.00489775 0.25039048 0.01000000 F 0.08027847 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.835,-5.7927,-2.0634;4.7263,-2.4662,-2.8123;1.5814,-4.0538,-4.5522;1.2974,-6.9677,-3.3567;2.7809,-6.1785,-3.966;2.5643,-8.415,-2.7425;1.6873,-4.9859,-1.8758;.268,-6.5295,-4.9502;.1255,-8.5181,-3.0794;4.9144,-5.2989,-2.55;4.7429,-4.3601,-5.1182;2.6077,-4.2769,-1.7436;3.9672,-4.1086,-3.3769;.5085,-9.4108,-3.2031;2.3451,-3.5155,-4.2642;5.4776,-5.0108,-5.0892;3.4566,-8.0516,-2.9253;-.3096,-7.2766,-5.2177;4.2503,-1.6857,-3.1811;3.084,-4.6897,-.9917;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 27 27 -4.38917732 0.02994777 0.00100000 F 0.00759034 0.00066667 F 0.02994777 0.00759034 0.30128529 0.01000000 F 0.09059519 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.8332,-5.8844,-1.9298;4.6984,-2.4038,-2.9538;1.5214,-4.1146,-4.4941;1.3184,-6.9789,-3.2843;2.8275,-6.215,-3.8588;2.4947,-8.4936,-2.6666;1.7099,-5.1217,-1.6503;.3708,-6.4112,-4.8913;.1058,-8.5228,-3.2979;4.9534,-5.1989,-2.5291;4.7098,-4.4241,-5.1463;2.6418,-4.1763,-1.7242;3.9589,-4.0894,-3.4086;.4754,-9.4055,-3.5044;2.3041,-3.5676,-4.2827;5.4605,-5.0551,-5.101;3.4098,-8.1564,-2.7672;-.2131,-7.1242,-5.2274;4.2062,-1.6544,-3.362;3.1241,-4.5951,-.9798;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 28 28 -4.38326939 0.03709028 0.00100000 F 0.01174627 0.00066667 F 0.03709028 0.01174627 0.14713771 0.01000000 F 0.03981094 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.8387,-5.8111,-2.0209;4.6806,-2.4227,-2.9125;1.5102,-4.1329,-4.4658;1.3247,-6.975,-3.3152;2.841,-6.2304,-3.8903;2.4954,-8.4617,-2.6323;1.7262,-5.0262,-1.7974;.3698,-6.4509,-4.9358;.0903,-8.5023,-3.2604;4.9715,-5.2184,-2.5453;4.6979,-4.39,-5.15;2.6655,-4.2422,-1.6877;3.9563,-4.1064,-3.3976;.4515,-9.3969,-3.4242;2.289,-3.5816,-4.2489;5.4583,-5.011,-5.1289;3.4127,-8.1332,-2.7427;-.2222,-7.1686,-5.2445;4.178,-1.6685,-3.298;3.1754,-4.6629,-.9613;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 29 29 -4.38987695 0.02308596 0.00100000 F 0.00627633 0.00066667 F 0.02308596 0.00627633 0.10202226 0.01000000 F 0.03998963 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.9152,-5.7884,-2.0503;4.6228,-2.4505,-2.8723;1.4839,-4.1486,-4.4815;1.3581,-6.9865,-3.3178;2.875,-6.274,-3.9297;2.5011,-8.4719,-2.5919;1.8244,-4.9241,-1.8796;.3626,-6.4194,-4.9067;.0777,-8.4845,-3.234;4.9567,-5.2219,-2.5492;4.7345,-4.3716,-5.1481;2.613,-4.3038,-1.7182;3.9455,-4.1294,-3.4234;.4522,-9.3679,-3.4268;2.275,-3.6119,-4.2749;5.5188,-4.9629,-5.128;3.4276,-8.1709,-2.7008;-.2793,-7.103,-5.1877;4.123,-1.6929,-3.2549;3.1233,-4.7084,-.9838;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 30 30 -4.38636612 0.08575394 0.00100000 F 0.01947486 0.00066667 F 0.08575394 0.01947486 0.10013891 0.01000000 F 0.03048667 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.8465,-5.8331,-2.0377;4.6692,-2.4441,-2.9022;1.4813,-4.1104,-4.448;1.3387,-6.999,-3.318;2.8527,-6.2563,-3.9036;2.4994,-8.4737,-2.5984;1.7242,-4.9582,-1.8409;.3548,-6.4291,-4.9128;.0907,-8.5255,-3.2693;4.9625,-5.2173,-2.5463;4.7169,-4.3923,-5.1549;2.6555,-4.2472,-1.6919;3.9566,-4.1192,-3.4213;.4875,-9.3983,-3.4675;2.284,-3.5846,-4.2574;5.4922,-4.9953,-5.1385;3.4214,-8.154,-2.6901;-.2697,-7.1216,-5.2122;4.1755,-1.6834,-3.2873;3.1709,-4.6502,-.9613;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 31 31 -4.39202680 0.02602775 0.00100000 F 0.00558745 0.00066667 F 0.02602775 0.00558745 0.03356836 0.01000000 F 0.01171246 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.8604,-5.8623,-2.0236;4.6684,-2.4397,-2.9087;1.4761,-4.1079,-4.454;1.3425,-7.0057,-3.3299;2.8571,-6.2536,-3.8982;2.4917,-8.4817,-2.6103;1.7578,-4.9881,-1.8237;.3498,-6.4206,-4.9164;.0871,-8.5281,-3.2702;4.9617,-5.2029,-2.5374;4.7281,-4.3984,-5.1524;2.6419,-4.2241,-1.6906;3.953,-4.1145,-3.4229;.4836,-9.4021,-3.4642;2.2802,-3.5818,-4.2661;5.5055,-4.9984,-5.1344;3.419,-8.176,-2.6944;-.2847,-7.1063,-5.2101;4.1807,-1.6777,-3.2986;3.1511,-4.6232,-.9537;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 32 32 -4.39277886 0.02308267 0.00100000 F 0.00563110 0.00066667 F 0.02308267 0.00563110 0.02713209 0.01000000 F 0.01200363 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:13;4;12,1,7;2;15;6;8;9;11;5;10/CRV:;;2-1,3.2;;;;;;;;/rA:20nOOHMoO1OH2OOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;s1;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.8673,-5.8649,-2.0187;4.6509,-2.4449,-2.9042;1.4758,-4.135,-4.4616;1.3458,-6.9968,-3.3335;2.866,-6.2572,-3.906;2.4789,-8.4721,-2.6012;1.7812,-4.9651,-1.811;.3485,-6.4056,-4.9181;.0876,-8.5204,-3.2668;4.9684,-5.2022,-2.5419;4.7463,-4.3879,-5.1591;2.6293,-4.2502,-1.6973;3.9542,-4.1209,-3.432;.4884,-9.3939,-3.4554;2.2751,-3.6001,-4.2747;5.5311,-4.9785,-5.1464;3.4126,-8.1851,-2.6795;-.2944,-7.0869,-5.2048;4.1606,-1.6819,-3.2909;3.1371,-4.6432,-.9566;/R:/0/N:13,4,2,11,15,10,6,8,9,5,12,1,7/E:(3,4,5)(7,8,9)/CRV:6.1,10.1,11.3,13.2 33 33 -4.39420159 0.02386393 0.00100000 F 0.00553673 0.00066667 F 0.02386393 0.00553673 0.05405182 0.01000000 F 0.01685044 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.8811,-5.8803,-2.032;4.6226,-2.4501,-2.9117;1.4588,-4.1634,-4.4494;1.3556,-6.9976,-3.3472;2.8912,-6.2746,-3.907;2.461,-8.4736,-2.5868;1.8353,-4.9368,-1.8215;.3562,-6.3796,-4.9263;.0803,-8.5133,-3.2753;4.9678,-5.1941,-2.5385;4.7549,-4.3837,-5.1623;2.6267,-4.26,-1.679;3.9504,-4.1315,-3.4444;.4892,-9.3849,-3.4535;2.2603,-3.6271,-4.2759;5.5507,-4.9599,-5.1557;3.4025,-8.2103,-2.6513;-.3042,-7.0456,-5.2087;4.129,-1.6891,-3.2982;3.1415,-4.6374,-.9349;/R:/0/N:13,2,11,15,12,10;4,6,8,9,1,5/E:(2,3,4);(2,3,4)(5,6)/CRV:5.3,6.1;5.1,6.1 34 34 -4.39537115 0.02754822 0.00100000 F 0.00727479 0.00066667 F 0.02754822 0.00727479 0.12854490 0.01000000 F 0.04265029 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.9068,-5.9538,-1.9802;4.5708,-2.4418,-2.9602;1.4344,-4.2421,-4.4284;1.3766,-7.0024,-3.3367;2.9316,-6.3034,-3.8865;2.4304,-8.5094,-2.5746;1.8912,-4.9208,-1.7559;.3802,-6.2873,-4.8873;.0749,-8.5077,-3.3395;4.961,-5.1645,-2.5157;4.7847,-4.3988,-5.1723;2.6077,-4.2462,-1.6737;3.9468,-4.1445,-3.4747;.5014,-9.3656,-3.5418;2.2378,-3.6944,-4.2986;5.5943,-4.9555,-5.1619;3.3838,-8.2879,-2.6142;-.3072,-6.917,-5.1875;4.0718,-1.6925,-3.3635;3.132,-4.5573,-.9062;/R:/0/N:13,2,11,15,12,10;4,6,8,9,1,5/E:(2,3,4);(2,3,4)(5,6)/CRV:5.3,6.1;5.1,6.1 35 35 -4.39552199 0.05790819 0.00100000 F 0.01428475 0.00066667 F 0.05790819 0.01428475 0.03016757 0.01000000 F 0.01151939 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.9004,-5.9777,-1.9672;4.5649,-2.4395,-2.9758;1.4276,-4.2537,-4.4176;1.3801,-7.0045,-3.3363;2.9404,-6.3094,-3.8773;2.4199,-8.5188,-2.5711;1.8761,-4.9237,-1.7316;.3869,-6.2663,-4.8798;.0795,-8.5115,-3.3624;4.9645,-5.1542,-2.5132;4.7877,-4.4066,-5.1766;2.6133,-4.234,-1.6688;3.9476,-4.1469,-3.4823;.512,-9.3659,-3.567;2.2331,-3.7061,-4.2996;5.6005,-4.9586,-5.1652;3.3755,-8.3051,-2.6009;-.3066,-6.8869,-5.1849;4.064,-1.6933,-3.3825;3.1436,-4.5303,-.8996;/R:/0/N:13,2,11,15,12,10;4,6,8,9,1,5/E:(2,3,4);(2,3,4)(5,6)/CRV:5.3,6.1;5.1,6.1 36 36 -4.39746246 0.03171434 0.00100000 F 0.00883728 0.00066667 F 0.03171434 0.00883728 0.07008483 0.01000000 F 0.02621495 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.9113,-6.0079,-1.9394;4.5337,-2.432,-3.0062;1.4283,-4.2896,-4.4326;1.389,-7.0182,-3.3174;2.9556,-6.3227,-3.8513;2.4204,-8.5613,-2.581;1.8929,-4.9248,-1.6983;.4031,-6.2309,-4.8408;.0735,-8.5062,-3.4154;4.956,-5.1373,-2.4981;4.788,-4.426,-5.1722;2.6218,-4.1922,-1.649;3.9385,-4.1562,-3.4912;.4978,-9.3605,-3.6356;2.2298,-3.7337,-4.3209;5.6073,-4.9678,-5.1419;3.3754,-8.3433,-2.605;-.3055,-6.8252,-5.1615;4.027,-1.6968,-3.4233;3.1671,-4.4602,-.8786;/R:/0/N:13,2,11,15,12,10;4,6,8,9,1,5/E:(2,3,4);(2,3,4)(5,6)/CRV:5.3,6.1;5.1,6.1 37 37 -4.39957785 0.01607619 0.00100000 F 0.00430523 0.00066667 F 0.01607619 0.00430523 0.12791240 0.01000000 F 0.04420385 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OO3MoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11s12;s9;s3s13;s11;s6;s8;s2;s12;/rC:.93,-6.073,-1.9032;4.482,-2.4196,-3.0651;1.3915,-4.3599,-4.3743;1.4168,-7.0334,-3.3046;3.0044,-6.3547,-3.8039;2.3895,-8.611,-2.5639;1.9028,-4.9126,-1.6532;.4669,-6.1442,-4.8034;.0631,-8.4828,-3.4913;4.9684,-5.0949,-2.4886;4.7892,-4.4473,-5.1856;2.6262,-4.1653,-1.6327;3.9324,-4.1681,-3.5145;.4854,-9.3329,-3.7307;2.2007,-3.8043,-4.3219;5.6234,-4.966,-5.1546;3.3505,-8.4214,-2.5512;-.2586,-6.6973,-5.1566;3.962,-1.704,-3.4995;3.1842,-4.4,-.8608;/R:/0/N:13,2,11,15,12,10;4,6,8,9,1,5/E:(2,3,4);(2,3,4)(5,6)/CRV:5.3,6.1;5.1,6.1 38 38 -4.40073542 0.01858357 0.00100000 F 0.00524418 0.00066667 F 0.01858357 0.00524418 0.27743869 0.01000000 F 0.10961331 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.0261,-6.23,-1.7383;4.3864,-2.4081,-3.1302;1.4643,-4.5394,-4.5591;1.4545,-7.0709,-3.2229;3.0351,-6.3812,-3.746;2.4005,-8.7599,-2.7284;1.9405,-4.8887,-1.5716;.4869,-5.9851,-4.5789;.0593,-8.4599,-3.557;4.9114,-5.0535,-2.4169;4.8662,-4.5041,-5.1409;2.5313,-4.0704,-1.6614;3.911,-4.1919,-3.5341;.4902,-9.2783,-3.8782;2.2233,-3.9172,-4.4533;5.7154,-4.9895,-5.0395;3.3674,-8.6008,-2.7195;-.3178,-6.4224,-4.9207;3.87,-1.7191,-3.6079;3.0888,-4.1226,-.8548;/R:/0/N:4,6,8,9,1,5;13,2,11,15,10;12/E:(2,3,4)(5,6);(2,3,4);/CRV:5.1,6.1;5.1; 39 39 -4.40424709 0.01855347 0.00100000 F 0.00561289 0.00066667 F 0.01855347 0.00561289 0.27483707 0.01000000 F 0.10324755 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1589,-6.4133,-1.6325;4.2502,-2.4021,-3.1878;1.5222,-4.7791,-4.6436;1.5227,-7.1412,-3.1877;3.102,-6.3871,-3.6323;2.3843,-8.906,-2.8545;1.9542,-4.8317,-1.6083;.6074,-5.8864,-4.4415;-.016,-8.3389,-3.618;4.9086,-4.9982,-2.3929;4.9449,-4.5057,-5.1225;2.4769,-4.0031,-1.6837;3.9041,-4.225,-3.5696;.3254,-9.201,-3.9334;2.2296,-4.0708,-4.5218;5.842,-4.8714,-4.9567;3.3552,-8.7859,-2.7956;-.2907,-6.1476,-4.7222;3.6962,-1.7542,-3.6777;3.0328,-3.9442,-.8775;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 40 40 -4.40250047 0.04462535 0.00100000 F 0.01107231 0.00066667 F 0.04462535 0.01107231 0.23538148 0.01000000 F 0.06405034 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1363,-6.4137,-1.6181;4.3598,-2.4149,-3.1436;1.5129,-4.5437,-4.6928;1.4907,-7.154,-3.1723;3.0506,-6.3526,-3.6172;2.4316,-8.8729,-2.8465;1.8729,-4.8209,-1.6382;.4911,-5.9983,-4.4533;.0037,-8.4176,-3.591;4.8844,-5.0521,-2.4092;4.9571,-4.5086,-5.1361;2.4615,-3.996,-1.713;3.9209,-4.2071,-3.5757;.3727,-9.2705,-3.9013;2.2832,-3.9034,-4.5364;5.8335,-4.9216,-4.9715;3.3968,-8.7091,-2.8066;-.3946,-6.3177,-4.7151;3.8426,-1.7306,-3.6251;3.0032,-3.9876,-.8967;/R:/0/N:4,6,8,9,1,5;13,2,11,15,10;12/E:(2,3,4)(5,6);(2,3,4);/CRV:5.1,6.1;5.1; 41 41 -4.40341241 0.02068680 0.00100000 F 0.00823530 0.00066667 F 0.02068680 0.00823530 0.06328496 0.01000000 F 0.02300882 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1157,-6.39,-1.6247;4.3427,-2.4077,-3.1636;1.5028,-4.5961,-4.6295;1.4921,-7.1387,-3.1685;3.0534,-6.3499,-3.6233;2.3972,-8.8721,-2.8293;1.8991,-4.8383,-1.6113;.539,-5.9764,-4.4786;.0142,-8.404,-3.6077;4.9104,-5.0324,-2.4148;4.9419,-4.5044,-5.148;2.4736,-4.016,-1.7054;3.9207,-4.2081,-3.575;.3775,-9.261,-3.9127;2.2591,-3.9389,-4.5043;5.8242,-4.9071,-4.9891;3.3643,-8.723,-2.7761;-.3433,-6.2897,-4.7591;3.8062,-1.738,-3.6458;3.02,-4.0012,-.8927;/R:/0/N:4,6,8,9,1,5;13,2,11,15,10;12/E:(2,3,4)(5,6);(2,3,4);/CRV:5.1,6.1;5.1; 42 42 -4.40585460 0.01312908 0.00100000 F 0.00453892 0.00066667 F 0.01312908 0.00453892 0.09426309 0.01000000 F 0.02108990 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoO1OHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1115,-6.3941,-1.5953;4.3359,-2.4077,-3.1876;1.4823,-4.6036,-4.5999;1.4881,-7.135,-3.1399;3.0475,-6.3578,-3.6226;2.3912,-8.8721,-2.7975;1.9063,-4.8537,-1.5717;.5493,-5.9574,-4.4482;.0317,-8.3935,-3.6557;4.9038,-5.0315,-2.4121;4.9315,-4.5177,-5.1573;2.4785,-4.0148,-1.7047;3.9171,-4.2132,-3.5811;.4071,-9.2275,-4.007;2.249,-3.953,-4.4988;5.8121,-4.9248,-4.9997;3.3578,-8.7201,-2.7422;-.3156,-6.2841,-4.7662;3.7942,-1.7459,-3.6753;3.0316,-3.9852,-.8968;/R:/0/N:4,6,8,9,1,5;13,2,11,15,10;12/E:(2,3,4)(5,6);(2,3,4);/CRV:5.1,6.1;5.1; 43 43 -4.40597354 0.02101682 0.00100000 F 0.00639476 0.00066667 F 0.02101682 0.00639476 0.06111629 0.01000000 F 0.01915846 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1015,-6.3748,-1.6055;4.3116,-2.4047,-3.197;1.48,-4.6647,-4.5549;1.495,-7.1252,-3.1424;3.0534,-6.3534,-3.6281;2.3715,-8.8726,-2.7976;1.9386,-4.862,-1.5728;.5867,-5.9315,-4.4641;.0335,-8.3754,-3.6486;4.9241,-5.0121,-2.4111;4.9279,-4.513,-5.1618;2.4797,-4.0342,-1.7022;3.9184,-4.2182,-3.5807;.3915,-9.2166,-3.9997;2.2352,-3.9927,-4.479;5.8142,-4.9071,-5.0023;3.3397,-8.7314,-2.7346;-.2781,-6.2469,-4.7933;3.7512,-1.7603,-3.6876;3.0354,-3.996,-.8964;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 44 44 -4.40675040 0.01323355 0.00100000 F 0.00351104 0.00066667 F 0.01323355 0.00351104 0.01691192 0.01000000 F 0.00545268 0.00666667 T Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1016,-6.3703,-1.6056;4.3161,-2.4062,-3.1946;1.4755,-4.6478,-4.5523;1.491,-7.124,-3.1419;3.047,-6.3534,-3.6362;2.3767,-8.8687,-2.7972;1.9398,-4.8634,-1.5751;.5728,-5.9347,-4.461;.0352,-8.3844,-3.635;4.9218,-5.0134,-2.4074;4.9308,-4.5178,-5.1585;2.4784,-4.0342,-1.7048;3.9202,-4.2189,-3.5801;.3975,-9.2146,-4.0077;2.2402,-3.9859,-4.4823;5.8164,-4.9124,-4.9967;3.3445,-8.7224,-2.741;-.2858,-6.2604,-4.7961;3.7566,-1.7623,-3.687;3.0346,-3.9976,-.8992;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 45 45 -4.40691621 0.01313972 0.00100000 F 0.00321510 0.00066667 F 0.01313972 0.00321510 0.06340295 0.01000000 F 0.02136446 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1124,-6.3952,-1.5917;4.3133,-2.4103,-3.1961;1.489,-4.6518,-4.576;1.4904,-7.1268,-3.1424;3.0404,-6.3519,-3.6463;2.3902,-8.8749,-2.8476;1.9229,-4.8572,-1.5696;.5427,-5.9166,-4.4247;.037,-8.4053,-3.5873;4.9155,-5.0058,-2.3892;4.9586,-4.5361,-5.1386;2.4587,-4.0196,-1.719;3.9261,-4.2256,-3.5808;.4003,-9.2092,-4.013;2.2604,-3.9968,-4.5103;5.8474,-4.9154,-4.9581;3.3582,-8.7256,-2.8044;-.3201,-6.2381,-4.752;3.7556,-1.7737,-3.6998;3.0119,-3.957,-.9127;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 46 46 -4.40720136 0.01168835 0.00100000 F 0.00289607 0.00066667 F 0.01168835 0.00289607 0.02708095 0.01000000 F 0.01071592 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1198,-6.3978,-1.5846;4.318,-2.4136,-3.196;1.4817,-4.6248,-4.5735;1.4861,-7.1289,-3.138;3.0298,-6.3519,-3.6576;2.404,-8.8725,-2.8537;1.9258,-4.8588,-1.5713;.5186,-5.9189,-4.4073;.0406,-8.4197,-3.5625;4.9064,-5.0065,-2.3781;4.9685,-4.5481,-5.1306;2.4509,-4.0158,-1.7269;3.9289,-4.2289,-3.5815;.4003,-9.1964,-4.039;2.2712,-3.9898,-4.5214;5.8569,-4.9245,-4.9417;3.3708,-8.7129,-2.8219;-.3338,-6.2549,-4.747;3.7617,-1.7803,-3.7055;3.0048,-3.9477,-.9215;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 47 47 -4.40733367 0.01090301 0.00100000 F 0.00300652 0.00066667 F 0.01090301 0.00300652 0.03711702 0.01000000 F 0.01595000 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1409,-6.422,-1.5644;4.3207,-2.4226,-3.1963;1.4849,-4.6192,-4.5749;1.4852,-7.1368,-3.1308;3.018,-6.3426,-3.6614;2.4324,-8.8671,-2.8711;1.9351,-4.8619,-1.5721;.4961,-5.9222,-4.3823;.0362,-8.4224,-3.5411;4.8866,-5.0148,-2.3652;4.9904,-4.5579,-5.1242;2.4341,-4.0081,-1.7409;3.9301,-4.2383,-3.5865;.3631,-9.177,-4.074;2.2827,-3.993,-4.5409;5.879,-4.9263,-4.9204;3.3964,-8.69,-2.8405;-.3498,-6.2661,-4.73;3.7597,-1.7921,-3.7037;2.9893,-3.9124,-.939;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 48 48 -4.40773836 0.01104331 0.00100000 F 0.00307690 0.00066667 F 0.01104331 0.00307690 0.09180112 0.01000000 F 0.03352059 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1887,-6.4958,-1.5184;4.308,-2.4487,-3.2017;1.4757,-4.6045,-4.5733;1.5032,-7.1624,-3.1089;3.0143,-6.3272,-3.6514;2.4853,-8.8741,-2.9078;1.9312,-4.8555,-1.5756;.504,-5.904,-4.3186;.0369,-8.4175,-3.5054;4.8451,-5.031,-2.3488;5.0283,-4.5765,-5.1176;2.3883,-3.9915,-1.7702;3.9237,-4.2668,-3.6042;.2713,-9.126,-4.1402;2.2934,-4.0017,-4.5811;5.9162,-4.9297,-4.8862;3.4452,-8.6763,-2.8701;-.3343,-6.2396,-4.6904;3.7417,-1.825,-3.7114;2.9447,-3.8393,-.9783;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 49 49 -4.40860319 0.01190785 0.00100000 F 0.00308710 0.00066667 F 0.01190785 0.00308710 0.17016017 0.01000000 F 0.06610077 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.2717,-6.6169,-1.4443;4.2684,-2.4842,-3.217;1.5055,-4.6566,-4.5902;1.5207,-7.193,-3.0769;2.9925,-6.296,-3.6565;2.5783,-8.8631,-3.0078;1.9476,-4.8388,-1.533;.4796,-5.8743,-4.2005;.0505,-8.4247,-3.4414;4.7907,-5.045,-2.3012;5.1099,-4.6188,-5.0797;2.3148,-3.9684,-1.8231;3.9256,-4.318,-3.6198;.1012,-8.9904,-4.2397;2.3281,-4.0578,-4.6511;5.9932,-4.9421,-4.7932;3.5296,-8.6248,-2.9839;-.347,-6.2047,-4.6011;3.6862,-1.8856,-3.7381;2.8639,-3.6894,-1.061;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 50 50 -4.40933241 0.01227024 0.00100000 F 0.00364796 0.00066667 F 0.01227024 0.00364796 0.04673314 0.01000000 F 0.01335620 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.2712,-6.6298,-1.4406;4.2508,-2.4868,-3.2287;1.4961,-4.6598,-4.5541;1.5311,-7.2013,-3.0706;3.0054,-6.2962,-3.6458;2.5884,-8.8704,-3.0053;1.9433,-4.8431,-1.5296;.5043,-5.8679,-4.1961;.0541,-8.4203,-3.4419;4.7975,-5.0364,-2.2958;5.1131,-4.6246,-5.0837;2.3077,-3.972,-1.8272;3.9287,-4.3289,-3.6241;.0688,-8.9436,-4.2701;2.3203,-4.0668,-4.6433;5.9965,-4.9502,-4.8009;3.5403,-8.6361,-2.9793;-.3221,-6.1935,-4.6017;3.6644,-1.8943,-3.7517;2.8509,-3.6707,-1.0692;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 51 51 -4.40965158 0.00765738 0.00100000 F 0.00236779 0.00066667 F 0.00765738 0.00236779 0.05946473 0.01000000 F 0.02148976 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.251,-6.613,-1.4494;4.2284,-2.4728,-3.2395;1.5057,-4.681,-4.5766;1.5412,-7.2016,-3.0646;3.0352,-6.3105,-3.6269;2.5567,-8.8946,-2.9657;1.9379,-4.8549,-1.5123;.5484,-5.8668,-4.216;.0447,-8.397,-3.4634;4.8413,-5.0055,-2.3066;5.0895,-4.6121,-5.0959;2.3172,-3.9899,-1.8114;3.9311,-4.3218,-3.6202;.0907,-8.9186,-4.2918;2.3089,-4.0558,-4.6296;5.9757,-4.9519,-4.8407;3.5164,-8.6956,-2.9507;-.297,-6.1788,-4.5936;3.6425,-1.8794,-3.7619;2.8453,-3.6914,-1.0427;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 52 52 -4.40991281 0.00421894 0.00100000 F 0.00128648 0.00066667 F 0.00421894 0.00128648 0.02134955 0.01000000 F 0.00916598 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.2429,-6.6001,-1.4622;4.2437,-2.4723,-3.2357;1.5073,-4.6687,-4.5643;1.5389,-7.199,-3.0745;3.0337,-6.3051,-3.6304;2.5645,-8.8856,-2.9744;1.9348,-4.8528,-1.5161;.541,-5.8807,-4.2374;.0479,-8.4115,-3.4446;4.8368,-5.0105,-2.3022;5.0864,-4.6141,-5.0928;2.3183,-3.9866,-1.8121;3.9331,-4.3186,-3.615;.0883,-8.9299,-4.2754;2.3087,-4.0441,-4.6233;5.9692,-4.9666,-4.8426;3.5237,-8.6831,-2.9651;-.3092,-6.199,-4.5981;3.6604,-1.8741,-3.7551;2.8405,-3.6905,-1.0383;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 53 53 -4.41005411 0.00319206 0.00100000 F 0.00082176 0.00066667 F 0.00319206 0.00082176 0.07264375 0.01000000 F 0.02095280 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.253,-6.6176,-1.4585;4.2447,-2.4876,-3.2336;1.5238,-4.6656,-4.568;1.5422,-7.2058,-3.0752;3.0254,-6.283,-3.6294;2.6025,-8.8677,-3.0057;1.9401,-4.8498,-1.5102;.5459,-5.9063,-4.2557;.0579,-8.4292,-3.4083;4.8276,-5.0234,-2.2866;5.098,-4.627,-5.0806;2.3023,-3.9814,-1.8203;3.9367,-4.3361,-3.6095;.0157,-8.883,-4.276;2.3184,-4.0374,-4.634;5.9783,-4.9857,-4.8295;3.5585,-8.6499,-3.0079;-.3225,-6.2209,-4.5726;3.6555,-1.8909,-3.7471;2.8071,-3.6447,-1.0511;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 54 54 -4.41028952 0.00314097 0.00100000 F 0.00116737 0.00066667 F 0.00314097 0.00116737 0.03764605 0.01000000 F 0.00907091 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.2468,-6.6073,-1.4677;4.2514,-2.4913,-3.2293;1.5318,-4.6583,-4.5711;1.541,-7.2049,-3.0813;3.0223,-6.2712,-3.6271;2.6113,-8.8578,-3.0076;1.9399,-4.8512,-1.5119;.5555,-5.9326,-4.2933;.0577,-8.4344,-3.3951;4.831,-5.0307,-2.285;5.0944,-4.6266,-5.0808;2.3046,-3.9823,-1.8192;3.9391,-4.339,-3.6045;-.0012,-8.8828,-4.2646;2.3193,-4.0256,-4.6312;5.9742,-4.9915,-4.837;3.5665,-8.6367,-3.0116;-.3341,-6.2334,-4.5613;3.6599,-1.8913,-3.7359;2.7996,-3.6441,-1.0442;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 55 55 -4.41042986 0.00609484 0.00100000 F 0.00149951 0.00066667 F 0.00609484 0.00149951 0.30048186 0.01000000 F 0.07385268 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1699,-6.5067,-1.5564;4.2877,-2.5213,-3.198;1.572,-4.5835,-4.6007;1.5263,-7.2012,-3.1259;2.9944,-6.1948,-3.6089;2.6664,-8.7858,-2.9797;1.9332,-4.8799,-1.5335;.6653,-6.1875,-4.5938;.0551,-8.4757,-3.2924;4.8704,-5.0892,-2.2931;5.0335,-4.6179,-5.1008;2.3348,-4.0074,-1.7973;3.9449,-4.3631,-3.5689;-.1055,-8.91,-4.1558;2.3102,-3.931,-4.5991;5.913,-5.0205,-4.9273;3.6157,-8.5401,-2.9943;-.3093,-6.1913,-4.5147;3.6746,-1.8984,-3.6455;2.7582,-3.6874,-.9735;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 56 56 -4.40847760 0.02805890 0.00100000 F 0.00643355 0.00066667 F 0.02805890 0.00643355 0.10770016 0.01000000 F 0.04534454 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.203,-6.5778,-1.513;4.2406,-2.5134,-3.2247;1.5973,-4.681,-4.6141;1.5393,-7.2157,-3.1;3.018,-6.2189,-3.601;2.6832,-8.8081,-3.0398;1.9153,-4.863,-1.5234;.6235,-6.1025,-4.4861;.0634,-8.4758,-3.3141;4.8709,-5.0467,-2.2557;5.1009,-4.6302,-5.0779;2.3028,-4.0008,-1.8215;3.9626,-4.3758,-3.5781;-.1439,-8.8074,-4.2129;2.3334,-4.0012,-4.6257;5.9796,-5.0167,-4.8684;3.63,-8.557,-3.0726;-.3522,-6.1499,-4.4135;3.6135,-1.9207,-3.6944;2.7299,-3.6302,-1.0227;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 57 57 -4.40995702 0.01048995 0.00100000 F 0.00287579 0.00066667 F 0.01048995 0.00287579 0.09065151 0.01000000 F 0.03249139 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.2211,-6.5792,-1.4928;4.2497,-2.4982,-3.2257;1.5612,-4.6588,-4.5939;1.5365,-7.2054,-3.0903;3.02,-6.247,-3.6145;2.6372,-8.8343,-3.0107;1.9322,-4.8585,-1.5167;.5839,-6.0195,-4.3989;.0551,-8.4484,-3.3643;4.8578,-5.0361,-2.2728;5.0964,-4.6236,-5.0836;2.3142,-3.9926,-1.8158;3.9536,-4.3528,-3.5911;-.0533,-8.8546,-4.2496;2.3287,-4.0085,-4.6263;5.9773,-4.9966,-4.8587;3.5889,-8.5998,-3.0265;-.3685,-6.2251,-4.4879;3.6405,-1.9021,-3.7154;2.7786,-3.6519,-1.024;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 58 58 -4.41080328 0.00586975 0.00100000 F 0.00172901 0.00066667 F 0.00586975 0.00172901 0.02586860 0.01000000 F 0.01031425 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.213,-6.5642,-1.5009;4.256,-2.4991,-3.2207;1.5488,-4.6371,-4.5867;1.5355,-7.203,-3.094;3.0193,-6.2484,-3.6182;2.6306,-8.8358,-2.9932;1.9346,-4.8613,-1.5182;.5996,-6.0275,-4.4228;.0521,-8.4437,-3.3616;4.8595,-5.0423,-2.2849;5.0823,-4.6204,-5.0911;2.3214,-3.9947,-1.8111;3.9486,-4.3496,-3.5925;-.044,-8.874,-4.237;2.3227,-3.9962,-4.6204;5.9653,-4.9902,-4.8688;3.5828,-8.6025,-3.0035;-.3529,-6.2305,-4.5138;3.6449,-1.9009,-3.7053;2.7912,-3.6716,-1.015;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 59 59 -4.41093735 0.00861281 0.00100000 F 0.00180803 0.00066667 F 0.00861281 0.00180803 0.05761132 0.01000000 F 0.01927394 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1831,-6.527,-1.523;4.2616,-2.4971,-3.2137;1.5382,-4.6311,-4.5789;1.531,-7.195,-3.0994;3.0239,-6.2539,-3.6206;2.6139,-8.8337,-2.9559;1.936,-4.8687,-1.5272;.6274,-6.0545,-4.4804;.0442,-8.4316,-3.3673;4.8726,-5.0481,-2.3038;5.0606,-4.6065,-5.1084;2.3423,-4.0028,-1.7978;3.9453,-4.3442,-3.5935;-.0203,-8.9041,-4.2235;2.3098,-3.9869,-4.6005;5.9473,-4.9724,-4.894;3.5669,-8.6032,-2.9579;-.3357,-6.2204,-4.5315;3.641,-1.8999,-3.6875;2.8218,-3.712,-.9949;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 60 60 -4.41106603 0.00755909 0.00100000 F 0.00165635 0.00066667 F 0.00755909 0.00165635 0.04256306 0.01000000 F 0.01406704 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1651,-6.5116,-1.5401;4.2496,-2.4949,-3.2159;1.5311,-4.6471,-4.5744;1.535,-7.1979,-3.1013;3.0377,-6.2673,-3.6189;2.6094,-8.8424,-2.9368;1.9315,-4.8705,-1.5294;.663,-6.0716,-4.5217;.0386,-8.422,-3.3644;4.8835,-5.0407,-2.3109;5.0525,-4.599,-5.1173;2.3495,-4.006,-1.7909;3.9428,-4.345,-3.5962;-.0286,-8.8909,-4.2227;2.3008,-3.9967,-4.5886;5.943,-4.9549,-4.9018;3.5625,-8.6124,-2.938;-.3105,-6.1779,-4.5174;3.6155,-1.9086,-3.686;2.8388,-3.7354,-.9869;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 61 61 -4.41117180 0.00432808 0.00100000 F 0.00125834 0.00066667 F 0.00432808 0.00125834 0.03202294 0.01000000 F 0.01001244 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1735,-6.5264,-1.5265;4.2404,-2.4914,-3.2176;1.5307,-4.667,-4.5806;1.5398,-7.2002,-3.0924;3.0427,-6.2794,-3.6208;2.6063,-8.8511,-2.934;1.9251,-4.8655,-1.5273;.6563,-6.0438,-4.4896;.0395,-8.4145,-3.3755;4.8794,-5.0333,-2.3117;5.0612,-4.5945,-5.1159;2.3448,-4.0048,-1.7911;3.9403,-4.3429,-3.6016;-.0331,-8.8665,-4.2424;2.3021,-4.0146,-4.5951;5.9527,-4.9428,-4.8921;3.5601,-8.6242,-2.936;-.3122,-6.1851,-4.515;3.6112,-1.9082,-3.6984;2.8501,-3.737,-.996;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 62 62 -4.41127775 0.00351054 0.00100000 F 0.00087991 0.00066667 F 0.00351054 0.00087991 0.01730347 0.01000000 F 0.00455519 0.00666667 T Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1736,-6.524,-1.5287;4.237,-2.4881,-3.2182;1.5312,-4.6754,-4.5841;1.5422,-7.2036,-3.0911;3.0448,-6.2839,-3.6209;2.6073,-8.8547,-2.9271;1.9225,-4.8633,-1.5282;.6577,-6.0536,-4.495;.0397,-8.4159,-3.3771;4.8791,-5.0301,-2.3103;5.0615,-4.5909,-5.1152;2.346,-4.0027,-1.7891;3.9397,-4.3407,-3.6013;-.0422,-8.8492,-4.2527;2.3014,-4.0201,-4.5941;5.9538,-4.9371,-4.8916;3.5612,-8.6286,-2.9333;-.313,-6.1823,-4.5038;3.6108,-1.9051,-3.7032;2.8566,-3.7437,-.9945;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 63 63 -4.41132141 0.00327188 0.00100000 F 0.00082200 0.00066667 F 0.00327188 0.00082200 0.02944422 0.01000000 F 0.00858903 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1759,-6.5216,-1.5325;4.2344,-2.4834,-3.216;1.5293,-4.6919,-4.5848;1.5494,-7.2115,-3.0898;3.048,-6.2904,-3.6225;2.6101,-8.8622,-2.9139;1.9155,-4.8577,-1.5318;.6695,-6.0715,-4.5094;.0394,-8.4167,-3.3767;4.8741,-5.0295,-2.3136;5.0574,-4.5821,-5.1158;2.346,-3.9985,-1.7862;3.9348,-4.335,-3.6023;-.0649,-8.8197,-4.2641;2.2956,-4.0286,-4.5907;5.9512,-4.9244,-4.8922;3.5648,-8.6398,-2.922;-.3043,-6.1752,-4.4948;3.6163,-1.8963,-3.7067;2.8684,-3.7568,-.9938;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 64 64 -4.41137773 0.00279395 0.00100000 F 0.00069516 0.00066667 F 0.00279395 0.00069516 0.02179408 0.01000000 F 0.00816467 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1774,-6.5169,-1.5373;4.2346,-2.4789,-3.2127;1.5269,-4.7061,-4.5827;1.555,-7.2166,-3.0898;3.0492,-6.2948,-3.6249;2.6099,-8.8663,-2.8953;1.9141,-4.8556,-1.5341;.6786,-6.0843,-4.5215;.0381,-8.4141,-3.3815;4.8715,-5.0302,-2.321;5.0488,-4.573,-5.1187;2.3495,-3.9962,-1.7807;3.9293,-4.3275,-3.6031;-.0816,-8.7992,-4.2749;2.288,-4.0339,-4.5855;5.944,-4.9136,-4.8981;3.5659,-8.6493,-2.9002;-.2958,-6.1797,-4.5015;3.6247,-1.8852,-3.7058;2.8826,-3.7714,-.9903;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 65 65 -4.41142424 0.00206376 0.00100000 F 0.00056758 0.00066667 T 0.00206376 0.00056758 0.02197792 0.01000000 F 0.00731763 0.00666667 F Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1827,-6.5154,-1.5399;4.2371,-2.4746,-3.2097;1.5253,-4.7177,-4.5806;1.5605,-7.222,-3.0899;3.0487,-6.2972,-3.6275;2.6089,-8.8716,-2.8803;1.9177,-4.8558,-1.5341;.686,-6.0885,-4.5254;.0368,-8.4112,-3.3865;4.8665,-5.0325,-2.3283;5.0394,-4.566,-5.1218;2.3521,-3.9944,-1.7769;3.924,-4.3189,-3.6041;-.0946,-8.7821,-4.2841;2.2802,-4.0359,-4.5814;5.9353,-4.9071,-4.9043;3.5666,-8.6616,-2.8782;-.2877,-6.1906,-4.5162;3.6346,-1.8729,-3.7021;2.8907,-3.777,-.9881;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 66 66 -4.41146594 0.00104886 0.00100000 F 0.00036532 0.00066667 T 0.00104886 0.00036532 0.01199326 0.01000000 F 0.00323522 0.00666667 T Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1808,-6.513,-1.5429;4.2387,-2.4736,-3.2087;1.525,-4.7195,-4.5796;1.5616,-7.2224,-3.0911;3.0491,-6.2972,-3.6279;2.6075,-8.8718,-2.8732;1.9193,-4.8576,-1.5351;.6896,-6.09,-4.5303;.0359,-8.4094,-3.3877;4.8689,-5.0329,-2.3327;5.0346,-4.5636,-5.1251;2.3554,-3.9964,-1.7744;3.9232,-4.3163,-3.6042;-.0965,-8.7808,-4.2849;2.2771,-4.0341,-4.5785;5.9307,-4.9058,-4.9104;3.5657,-8.6646,-2.8662;-.2839,-6.1936,-4.5248;3.6357,-1.8697,-3.6977;2.8924,-3.7806,-.9841;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 67 67 -4.41148451 0.00103268 0.00100000 F 0.00028668 0.00066667 T 0.00103268 0.00028668 0.01837819 0.01000000 F 0.00451386 0.00666667 T Cartesian 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1767,-6.5094,-1.5462;4.2398,-2.4722,-3.2092;1.5244,-4.722,-4.5779;1.5625,-7.2231,-3.0912;3.0494,-6.2974,-3.6274;2.6056,-8.8723,-2.8627;1.9213,-4.8603,-1.5368;.6944,-6.092,-4.5364;.0352,-8.4071,-3.392;4.8742,-5.0332,-2.3392;5.0286,-4.5609,-5.1306;2.3613,-3.9994,-1.7711;3.9232,-4.3138,-3.6049;-.0967,-8.7766,-4.2901;2.2734,-4.0327,-4.574;5.925,-4.9042,-4.9191;3.5642,-8.6671,-2.8479;-.2791,-6.195,-4.5328;3.6333,-1.8676,-3.693;2.8942,-3.7867,-.9772;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 68 68 CONVERGED -4.41150048 0.00069786 0.00100000 T 0.00024510 0.00066667 T 0.00069786 0.00024510 0.00731842 0.01000000 T 0.00187090 0.00666667 T NOSYM 0 O O H Mo O O H O O O O O Mo H O H H H H H 15.99491400 15.99491400 1.00782500 97.90540600 15.99491400 15.99491400 1.00782500 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 97.90540600 1.00782500 15.99491400 1.00782500 1.00782500 1.00782500 1.00782500 1.00782500 1.000000 298.150000 1658.3143 6285.0767 6356.7794 1 NOSYM 298.15 43.568 32.560 61.409 137.537 0.889 0.889 79.581 81.359 2.981 2.981 60.122 66.084 3.022311 -69.450 41.711 66.179 78.639 84.232 116.350 143.821 171.172 180.423 188.247 195.633 216.474 218.744 226.126 234.609 244.160 255.396 262.465 275.435 286.077 302.007 335.120 352.493 359.846 370.830 397.054 440.035 506.842 562.417 580.570 591.369 618.192 631.254 658.022 689.110 739.330 750.030 777.682 781.486 787.607 807.178 887.404 889.289 900.127 1069.721 1583.648 2839.539 3300.042 3592.715 3600.846 3628.160 3642.682 3644.815 3649.816 O O H Mo O O H O O O O O Mo H O H H H H H 0.249 -0.005 0.051 0.012 -0.028 0.044 0.017 0.013 -0.015 0.027 0.011 -0.011 -0.017 -0.046 -0.205 0.029 -0.011 -0.148 0.005 0.052 0.010 -0.119 0.050 0.116 -0.036 0.032 0.216 -0.274 -0.138 0.135 0.164 0.079 0.117 -0.166 0.102 -0.129 -0.009 -0.016 -0.005 -0.170 -0.031 0.262 0.057 -0.032 -0.102 0.135 0.036 0.169 0.036 -0.031 -0.340 -0.123 0.088 0.233 0.133 0.009 -0.061 -0.212 0.344 -0.164 -0.004 0.027 -0.038 0.196 -0.022 -0.058 -0.079 0.106 0.176 0.026 0.002 -0.017 -0.030 -0.034 -0.130 0.088 0.051 0.184 -0.070 0.098 -0.035 -0.080 0.122 0.108 0.153 -0.109 -0.185 -0.186 -0.093 0.083 -0.132 -0.183 -0.058 -0.030 0.095 0.033 -0.016 0.006 0.005 0.295 -0.065 -0.225 -0.057 0.095 0.134 -0.182 -0.350 -0.115 0.078 0.088 0.217 -0.079 0.122 0.152 0.361 0.058 -0.166 0.006 -0.028 0.042 0.063 0.242 -0.141 0.115 -0.022 0.175 0.019 -0.170 -0.045 0.035 -0.021 -0.033 0.017 -0.144 -0.183 -0.087 -0.040 0.296 -0.007 -0.006 -0.117 0.089 -0.167 -0.220 -0.098 0.079 0.164 -0.053 -0.197 -0.106 -0.076 0.177 -0.025 0.116 -0.016 0.027 -0.040 0.049 0.022 -0.273 0.044 0.206 -0.060 -0.060 0.071 -0.069 0.157 -0.087 -0.066 -0.131 0.163 0.080 -0.091 -0.156 0.221 0.101 0.193 0.163 -0.236 0.056 0.092 -0.094 0.057 0.044 0.047 -0.032 0.014 -0.112 0.021 0.035 -0.060 0.027 0.018 -0.074 0.047 -0.145 -0.148 0.033 0.024 -0.016 -0.020 0.074 0.084 0.053 -0.119 0.165 -0.166 -0.035 0.049 0.000 -0.022 -0.021 -0.008 -0.060 0.019 -0.049 -0.009 0.060 -0.013 -0.324 0.597 -0.312 0.016 -0.067 -0.012 -0.017 0.001 0.008 -0.125 -0.254 0.204 0.062 0.206 0.102 0.134 0.067 -0.122 -0.099 0.107 -0.046 0.062 0.019 -0.033 0.058 0.044 -0.186 -0.007 0.016 0.068 0.028 -0.006 -0.031 0.039 0.025 0.038 0.003 -0.033 -0.228 -0.054 0.083 -0.009 0.126 -0.131 -0.169 -0.098 0.091 0.181 -0.058 0.102 0.132 -0.130 -0.252 -0.015 -0.007 0.085 0.089 -0.014 0.007 0.044 -0.238 -0.008 0.244 -0.071 0.075 0.139 -0.174 -0.381 -0.037 0.012 -0.063 -0.359 0.124 -0.133 -0.172 0.120 0.019 -0.296 0.039 -0.077 0.103 -0.102 -0.058 0.017 0.307 0.030 0.103 0.074 -0.054 -0.073 -0.052 -0.044 0.022 -0.087 0.013 0.115 0.029 -0.030 -0.143 -0.005 0.058 -0.132 -0.042 -0.104 0.003 0.008 -0.155 0.059 0.022 -0.054 -0.083 -0.061 -0.004 -0.036 -0.030 0.066 -0.150 0.029 0.104 0.014 0.150 -0.369 0.127 0.068 -0.059 -0.073 -0.061 -0.028 -0.074 0.016 0.031 -0.233 -0.031 -0.209 -0.091 0.525 0.196 0.035 -0.184 0.200 -0.082 -0.020 0.014 -0.050 0.001 0.098 -0.208 -0.021 -0.051 0.072 -0.034 -0.032 -0.033 -0.011 -0.100 -0.051 -0.079 -0.068 0.030 0.013 -0.031 -0.105 -0.129 0.027 0.087 -0.014 -0.099 0.043 -0.025 0.097 0.049 0.157 0.043 0.122 0.179 -0.052 0.112 0.020 0.059 0.004 0.093 -0.314 0.117 0.001 -0.069 0.033 0.137 0.048 0.212 -0.072 -0.095 -0.073 -0.130 0.040 0.146 0.081 0.029 -0.397 0.333 -0.460 0.120 0.082 0.063 -0.026 -0.064 0.036 0.062 0.006 0.042 -0.088 0.019 0.038 -0.042 0.059 -0.076 -0.057 -0.054 -0.004 0.070 -0.033 -0.371 -0.254 -0.080 0.101 0.092 0.013 -0.001 0.101 0.134 0.098 -0.011 -0.142 -0.230 -0.021 -0.063 -0.324 -0.223 -0.005 0.035 0.062 0.050 -0.253 0.200 0.068 -0.036 -0.096 -0.179 -0.340 -0.046 -0.041 -0.055 -0.071 -0.076 0.071 0.106 -0.097 0.013 0.073 -0.255 -0.207 -0.126 -0.078 -0.161 -0.017 0.042 0.005 0.038 0.002 0.285 0.111 -0.008 -0.069 -0.032 -0.109 0.156 -0.021 0.117 0.068 0.223 -0.104 -0.166 -0.068 -0.040 -0.016 0.011 -0.142 0.062 0.149 -0.007 0.073 0.020 0.111 -0.013 0.008 -0.136 -0.134 0.005 0.057 0.019 -0.050 -0.551 0.291 0.117 -0.015 0.262 0.070 0.063 -0.124 0.034 0.124 0.050 -0.095 -0.031 -0.110 -0.016 0.025 0.018 0.076 -0.173 -0.181 0.041 0.114 0.002 0.059 0.010 0.027 -0.045 0.042 0.014 -0.161 -0.008 -0.002 0.021 -0.114 0.124 -0.022 0.092 0.070 -0.029 0.161 -0.086 -0.062 -0.022 -0.090 -0.055 0.010 0.016 -0.085 -0.030 -0.102 -0.048 0.070 -0.103 0.113 0.182 -0.084 -0.045 -0.045 0.020 0.024 -0.239 0.456 -0.229 0.005 0.034 -0.120 -0.045 -0.338 0.212 0.066 0.168 0.338 -0.014 -0.169 -0.106 -0.075 0.033 0.069 0.226 -0.138 -0.059 0.112 0.017 -0.033 -0.032 0.011 -0.031 -0.041 0.138 0.062 -0.010 -0.024 -0.037 -0.017 0.046 -0.010 -0.082 -0.059 0.031 0.113 0.179 0.043 -0.112 -0.059 0.028 0.006 -0.063 0.007 0.139 0.049 -0.023 -0.010 0.025 0.014 0.027 0.172 -0.127 0.017 -0.020 0.041 -0.130 0.066 -0.026 -0.036 0.088 0.077 -0.005 0.020 -0.019 -0.093 -0.037 0.619 -0.097 -0.193 0.010 -0.192 -0.052 0.094 -0.128 0.499 -0.110 0.092 -0.023 0.056 -0.072 0.014 0.134 0.028 0.007 0.000 -0.006 0.034 0.005 -0.015 0.006 -0.030 -0.165 -0.069 -0.028 0.041 -0.100 0.214 -0.035 -0.107 -0.064 0.075 -0.092 0.006 -0.068 -0.004 -0.007 0.043 -0.121 -0.023 -0.105 -0.031 0.197 0.046 0.043 -0.055 0.146 -0.105 0.002 0.017 0.004 -0.004 -0.058 -0.377 -0.002 -0.175 -0.052 0.642 -0.025 -0.205 -0.115 -0.124 0.033 0.221 -0.013 -0.001 0.125 0.047 0.039 0.047 0.137 -0.034 -0.075 -0.047 0.129 0.049 -0.002 0.027 0.029 0.006 0.013 -0.004 -0.081 -0.029 -0.060 -0.053 -0.214 -0.133 0.022 -0.070 -0.037 0.057 -0.022 -0.034 -0.034 0.075 0.071 0.011 0.139 -0.010 -0.056 -0.187 -0.082 -0.012 -0.031 -0.004 0.120 0.009 -0.057 -0.050 0.104 0.049 0.118 0.403 -0.037 -0.092 -0.003 0.442 0.034 -0.192 -0.120 0.384 0.016 -0.322 -0.105 -0.216 -0.043 0.138 -0.136 0.059 0.060 -0.002 -0.055 0.050 -0.137 -0.119 -0.034 0.018 -0.045 -0.010 0.016 0.014 0.058 0.105 0.109 0.197 -0.081 0.304 -0.037 -0.002 -0.077 -0.013 -0.018 0.025 0.033 0.052 0.044 -0.105 0.044 -0.058 -0.037 -0.011 0.143 0.004 -0.012 0.029 -0.211 0.130 -0.006 0.071 -0.148 -0.101 0.043 0.395 -0.111 0.038 0.191 0.190 -0.050 0.131 -0.026 0.326 0.019 -0.365 -0.056 0.291 0.073 0.011 -0.062 0.072 -0.154 0.103 -0.199 0.098 -0.052 0.091 -0.032 0.010 0.023 -0.039 -0.049 -0.038 -0.009 0.027 0.035 0.172 -0.152 0.066 0.067 -0.025 -0.082 0.002 -0.019 -0.041 -0.058 -0.239 -0.019 -0.049 0.104 -0.061 -0.039 -0.086 -0.096 0.073 0.030 0.033 0.150 -0.098 -0.031 0.038 0.020 0.137 -0.166 -0.304 -0.229 -0.003 0.014 -0.324 0.062 0.018 -0.117 -0.341 -0.096 -0.216 -0.271 0.339 -0.056 -0.066 0.089 -0.069 -0.100 0.021 0.021 0.085 0.047 -0.039 0.012 -0.025 0.002 -0.028 0.069 0.044 0.020 -0.028 -0.060 -0.152 0.053 -0.230 -0.062 -0.028 0.074 -0.022 0.009 0.018 -0.125 -0.028 0.136 -0.139 0.060 -0.136 0.063 0.008 -0.002 0.049 -0.003 0.013 -0.260 0.259 -0.048 0.104 -0.002 -0.104 -0.066 0.125 -0.334 -0.000 0.036 0.473 -0.055 -0.095 0.098 -0.057 -0.038 -0.106 0.193 -0.429 0.030 -0.091 0.108 -0.072 0.069 0.019 -0.161 -0.000 -0.100 -0.020 0.042 0.013 0.000 -0.003 0.050 -0.011 0.032 -0.002 -0.070 -0.354 -0.029 -0.076 -0.120 -0.057 0.067 0.006 0.050 -0.001 0.135 -0.136 -0.151 0.034 0.023 0.051 -0.246 -0.020 0.134 0.001 -0.001 0.028 -0.234 0.370 -0.096 -0.007 -0.101 0.001 -0.029 -0.107 0.103 0.021 0.033 0.269 -0.119 -0.052 0.238 -0.051 -0.002 -0.035 -0.353 -0.215 0.258 -0.087 -0.152 0.007 0.032 0.006 -0.103 0.048 0.216 -0.232 0.053 0.012 -0.024 0.021 0.104 0.048 -0.159 -0.103 0.075 0.049 0.041 0.144 0.057 0.073 0.056 0.025 0.010 0.086 -0.021 -0.132 -0.051 -0.037 0.049 0.017 0.033 0.020 0.069 -0.045 -0.010 0.024 0.271 -0.451 0.239 0.066 0.159 -0.200 -0.095 -0.106 0.008 -0.119 -0.281 0.064 0.095 -0.280 -0.294 0.026 0.005 -0.095 0.050 0.101 0.037 -0.026 -0.011 0.023 -0.011 -0.003 0.022 0.002 0.057 -0.054 0.020 0.012 0.021 -0.047 0.022 -0.133 -0.048 -0.020 0.039 -0.005 0.040 0.058 -0.106 -0.141 0.008 -0.011 0.057 -0.094 0.034 0.065 0.030 -0.031 -0.011 -0.015 0.010 0.021 0.021 0.015 -0.007 0.014 0.178 0.082 -0.134 0.010 0.007 -0.050 0.029 0.125 -0.044 0.001 -0.203 -0.771 -0.077 -0.410 -0.033 0.082 -0.007 -0.101 0.011 0.054 0.012 -0.202 -0.136 -0.012 0.015 0.001 0.025 -0.076 -0.150 0.146 0.051 0.051 -0.022 0.054 0.047 0.043 -0.043 0.001 -0.005 0.342 -0.081 0.250 -0.109 -0.077 -0.013 0.027 0.036 0.060 -0.085 -0.018 0.042 0.024 -0.015 0.006 0.109 -0.067 -0.089 -0.004 0.002 -0.012 -0.197 0.295 -0.011 -0.080 -0.132 0.100 0.005 -0.063 0.007 -0.040 -0.021 0.225 -0.128 0.107 0.335 0.085 0.049 -0.002 0.004 0.486 -0.169 0.033 -0.125 0.069 0.015 -0.005 -0.008 -0.012 -0.067 0.004 0.003 0.025 -0.009 0.010 0.023 0.009 -0.038 0.018 0.034 -0.425 0.178 -0.442 -0.017 -0.014 -0.039 0.017 -0.007 0.010 0.007 -0.012 0.003 -0.002 0.015 -0.005 -0.008 0.069 -0.062 0.003 -0.004 0.004 0.011 0.016 0.002 -0.018 -0.054 0.032 -0.014 -0.028 -0.026 -0.030 -0.011 -0.040 -0.022 0.037 0.007 -0.157 -0.002 0.214 0.127 -0.670 0.052 0.151 0.097 -0.041 0.031 -0.009 -0.011 -0.088 -0.039 0.097 0.008 -0.001 -0.035 0.003 0.119 0.259 -0.006 0.019 0.066 0.113 -0.118 0.005 -0.070 -0.017 0.075 -0.055 0.060 -0.073 -0.079 -0.035 0.025 0.024 0.029 -0.012 -0.012 -0.047 0.003 0.001 -0.006 -0.019 0.233 -0.376 0.063 -0.046 -0.099 0.059 -0.032 -0.134 -0.039 0.024 -0.094 -0.388 -0.017 -0.496 -0.288 -0.125 0.026 0.232 -0.025 0.034 -0.011 0.000 -0.006 -0.003 -0.063 0.017 0.021 0.006 -0.046 0.020 0.009 -0.000 -0.001 -0.049 0.050 -0.007 -0.004 -0.001 -0.004 -0.045 0.019 -0.062 0.013 0.026 0.009 -0.006 0.019 0.005 -0.001 -0.071 -0.039 0.001 -0.114 0.006 0.001 0.007 -0.019 0.005 0.010 -0.001 0.085 -0.145 0.060 -0.011 -0.018 0.054 0.327 0.814 0.142 -0.005 -0.004 0.106 0.027 -0.101 -0.147 0.140 -0.003 -0.260 -0.022 -0.049 0.012 -0.032 -0.057 0.018 -0.016 -0.003 0.021 -0.030 0.004 -0.007 -0.000 0.001 0.002 0.027 -0.070 -0.061 0.076 0.039 -0.026 -0.049 0.045 -0.016 -0.013 -0.008 0.046 -0.089 0.114 -0.024 0.014 0.018 -0.007 0.006 0.022 0.006 0.006 0.016 -0.009 0.002 0.001 0.001 0.263 -0.350 0.113 -0.010 -0.034 0.016 -0.103 -0.283 -0.031 0.034 0.197 0.504 0.034 -0.436 -0.335 0.140 -0.001 -0.175 0.013 -0.029 -0.001 -0.024 -0.008 -0.000 0.078 0.008 -0.067 0.002 -0.013 0.003 -0.001 -0.006 0.006 -0.018 -0.003 -0.067 0.012 -0.001 -0.012 0.082 -0.047 0.077 0.011 0.010 0.002 -0.018 0.024 0.000 -0.024 0.027 0.039 -0.021 -0.015 -0.013 0.001 -0.023 0.012 0.001 0.005 0.003 0.087 -0.112 0.040 0.018 -0.026 -0.006 0.107 0.331 0.008 0.003 0.031 0.142 0.018 -0.059 -0.081 -0.528 0.014 0.705 -0.013 0.102 -0.012 0.012 -0.038 0.027 -0.003 0.016 -0.021 -0.008 0.281 -0.053 -0.018 0.025 -0.017 0.245 -0.269 0.153 0.054 0.050 0.013 -0.011 0.012 -0.001 -0.088 -0.148 0.052 -0.036 0.003 -0.032 -0.049 -0.085 -0.040 -0.009 -0.061 0.009 -0.001 0.014 0.015 -0.003 0.018 -0.003 -0.184 0.267 -0.118 0.011 0.192 -0.061 0.205 0.543 0.087 0.028 0.166 -0.090 -0.077 -0.251 0.185 -0.160 0.010 0.167 0.049 -0.048 -0.002 0.023 -0.002 -0.002 -0.002 0.002 0.001 0.024 0.004 0.014 0.008 -0.012 0.009 -0.006 0.028 0.024 0.015 -0.005 0.002 -0.003 -0.003 -0.005 -0.056 -0.034 -0.087 -0.058 0.061 -0.031 0.003 -0.009 -0.001 -0.001 -0.003 -0.000 -0.003 -0.004 0.001 0.001 -0.000 0.002 0.444 -0.393 0.079 0.004 0.042 -0.026 0.008 0.023 0.004 0.009 0.017 0.138 -0.106 0.423 0.637 0.009 -0.003 -0.019 0.001 -0.016 0.002 -0.021 0.014 0.013 -0.006 -0.020 -0.005 -0.122 0.186 -0.074 0.022 -0.029 0.040 -0.010 -0.096 0.083 0.054 -0.089 -0.015 0.020 -0.009 0.005 -0.304 0.240 -0.323 0.141 0.089 0.041 -0.001 0.005 -0.000 -0.001 0.006 0.003 -0.003 0.004 0.001 -0.001 0.001 -0.002 -0.121 0.118 0.070 0.049 0.024 0.016 -0.001 0.010 0.008 0.043 -0.026 -0.067 -0.247 -0.272 -0.667 -0.044 -0.059 -0.008 0.023 -0.002 -0.015 0.014 -0.021 0.018 0.002 0.017 0.003 0.059 -0.076 0.023 -0.117 0.048 -0.046 -0.043 0.026 0.007 0.289 -0.520 0.092 0.110 -0.067 -0.026 0.088 -0.135 0.103 0.366 0.345 0.030 0.000 -0.004 -0.005 0.000 -0.002 -0.003 -0.023 0.011 -0.004 0.004 0.003 0.002 -0.120 -0.096 0.290 -0.026 -0.011 -0.002 0.006 0.008 -0.013 0.210 -0.137 0.013 0.055 0.152 0.241 0.013 0.028 0.002 0.155 -0.090 -0.094 0.009 -0.004 0.003 -0.006 -0.028 0.002 -0.013 -0.032 -0.041 -0.002 0.002 -0.000 -0.003 -0.007 0.005 0.008 -0.013 0.002 -0.307 0.140 -0.178 0.002 0.006 -0.001 0.006 0.005 0.001 -0.029 0.014 0.003 0.001 -0.001 0.001 0.088 -0.018 0.014 0.007 0.002 -0.002 -0.003 0.003 0.003 -0.045 0.003 -0.031 0.004 0.004 -0.005 0.005 0.003 0.001 0.001 0.023 -0.009 -0.013 -0.022 0.018 -0.737 0.194 0.505 0.003 0.006 0.027 -0.016 -0.104 -0.024 -0.050 0.156 -0.003 0.045 0.125 0.001 -0.123 -0.032 0.035 0.274 -0.391 0.052 -0.125 0.088 0.122 -0.006 0.050 -0.065 -0.427 -0.331 -0.038 0.003 0.024 -0.007 -0.019 0.013 0.028 -0.000 -0.015 -0.008 -0.012 0.004 -0.007 0.100 0.172 -0.330 0.095 -0.003 0.052 -0.016 0.027 0.042 0.254 -0.287 0.082 0.006 -0.087 -0.089 -0.045 -0.117 -0.008 0.062 0.004 -0.055 0.004 -0.006 0.004 -0.015 -0.031 -0.007 0.244 0.310 0.125 0.002 -0.002 -0.010 -0.047 -0.003 0.013 -0.033 0.053 -0.004 -0.216 0.117 -0.062 -0.003 -0.090 0.030 0.063 0.052 -0.005 -0.010 0.049 -0.038 -0.029 0.017 0.021 0.058 -0.009 -0.003 -0.080 -0.005 -0.042 -0.106 -0.084 0.080 0.524 -0.006 0.253 -0.118 -0.052 0.289 -0.022 -0.004 0.000 -0.000 -0.133 0.257 0.026 0.012 0.000 -0.337 0.094 0.231 -0.012 -0.007 0.006 -0.114 -0.653 -0.141 0.090 -0.118 -0.033 0.019 0.003 -0.010 -0.137 -0.071 0.043 -0.037 0.071 -0.014 0.252 -0.138 -0.039 0.021 -0.030 0.029 0.063 0.046 -0.022 0.011 0.024 0.007 0.033 0.008 -0.035 -0.022 0.026 -0.005 0.015 0.096 0.031 -0.333 -0.256 0.171 -0.031 0.025 -0.013 0.034 0.018 -0.031 -0.034 0.040 0.022 0.018 0.009 0.146 0.090 -0.243 0.116 0.204 -0.051 -0.132 0.001 -0.001 -0.008 -0.010 -0.019 -0.008 0.114 -0.082 -0.199 -0.025 -0.013 0.007 0.151 0.084 -0.047 0.016 -0.042 0.010 0.041 -0.040 -0.062 -0.032 0.004 0.002 -0.038 -0.021 0.037 0.004 -0.014 0.023 0.346 -0.052 -0.495 0.001 0.001 0.010 -0.061 0.019 0.068 0.463 0.328 -0.192 0.040 -0.001 0.038 0.169 -0.104 0.194 0.007 0.013 -0.019 -0.039 0.066 -0.187 0.099 0.108 0.014 -0.097 0.017 0.074 -0.012 0.009 0.041 0.018 0.067 0.019 -0.091 0.085 0.043 0.018 0.012 0.001 -0.079 -0.053 0.014 -0.002 0.009 -0.003 -0.007 -0.001 -0.001 0.012 0.002 -0.013 0.006 -0.009 -0.070 -0.001 0.009 -0.005 0.062 -0.005 -0.081 -0.000 0.006 0.006 -0.007 -0.011 0.012 -0.733 -0.510 0.261 -0.017 0.002 -0.016 0.047 -0.019 -0.031 0.005 -0.027 0.006 0.023 -0.108 0.212 -0.090 -0.097 -0.058 -0.010 0.007 0.012 -0.007 0.012 0.026 -0.038 -0.036 -0.027 0.125 -0.132 -0.085 -0.016 -0.006 0.021 0.189 0.119 -0.070 0.015 -0.033 0.005 0.153 -0.102 -0.125 -0.032 0.010 -0.020 -0.032 -0.034 -0.065 0.014 -0.026 0.024 -0.042 0.002 0.036 0.001 0.007 -0.001 0.004 0.004 -0.011 -0.520 -0.378 0.156 0.010 -0.001 0.015 -0.072 0.011 0.173 0.027 -0.082 -0.020 -0.036 0.047 -0.073 0.296 0.460 0.198 -0.063 -0.025 0.050 -0.017 -0.001 0.016 0.009 0.010 0.015 -0.015 0.025 -0.043 0.003 0.003 -0.003 -0.008 -0.008 -0.001 0.003 0.002 -0.000 0.642 -0.437 -0.508 0.002 -0.001 0.001 -0.008 -0.004 0.007 -0.002 0.008 -0.006 -0.003 0.001 0.009 -0.009 0.054 0.014 -0.003 -0.005 -0.002 0.070 0.044 -0.026 0.007 -0.001 0.002 0.004 0.000 -0.023 0.014 -0.050 0.014 0.002 -0.006 0.008 -0.091 -0.158 -0.075 -0.180 -0.124 0.183 0.001 0.004 0.003 0.046 -0.016 0.027 0.075 -0.105 -0.090 -0.004 -0.003 0.004 0.056 0.039 -0.015 0.002 -0.005 0.001 -0.071 0.051 0.070 -0.015 -0.011 0.007 -0.005 -0.003 -0.012 -0.018 0.005 -0.006 -0.032 0.010 -0.009 0.000 -0.009 -0.005 0.005 0.008 -0.003 -0.080 -0.071 0.028 -0.005 0.001 0.004 -0.144 0.008 0.483 0.005 -0.019 -0.004 -0.027 0.113 -0.114 -0.353 -0.662 -0.303 0.043 0.012 -0.041 0.002 0.001 0.002 0.021 -0.022 0.010 -0.057 0.081 0.107 -0.010 -0.005 0.006 0.079 0.055 -0.028 0.003 -0.010 0.002 -0.057 0.036 0.042 0.001 0.009 -0.012 -0.005 -0.008 -0.008 -0.020 0.008 -0.036 0.032 -0.024 0.046 0.001 -0.007 0.002 -0.012 0.010 0.005 -0.067 -0.039 0.013 0.023 -0.016 0.007 0.240 0.004 -0.844 0.002 -0.002 -0.010 0.008 -0.068 0.053 -0.167 -0.341 -0.163 0.006 0.014 -0.007 -0.001 0.000 -0.003 0.005 0.019 0.004 0.348 -0.377 -0.497 0.011 0.005 -0.001 -0.036 -0.030 0.020 0.003 0.011 -0.004 -0.011 0.008 0.018 -0.039 -0.043 0.038 -0.004 0.008 -0.012 0.002 0.009 0.006 0.013 -0.003 0.012 -0.002 -0.002 0.000 -0.005 -0.006 -0.003 -0.047 -0.090 0.037 0.004 0.041 0.033 0.079 -0.008 -0.287 0.031 -0.124 0.024 -0.085 0.445 -0.392 -0.005 0.026 0.022 0.009 0.010 -0.011 0.001 -0.003 -0.001 -0.001 -0.002 -0.001 -0.037 0.040 0.068 -0.011 0.001 -0.000 0.007 -0.011 -0.000 0.031 0.058 -0.012 -0.034 0.023 0.024 0.004 0.004 -0.007 0.008 0.005 0.006 -0.007 0.003 -0.010 0.001 -0.000 -0.004 0.000 -0.003 -0.001 0.002 0.001 0.003 0.033 0.025 -0.006 -0.003 -0.006 -0.005 -0.006 0.001 0.024 0.232 -0.948 0.160 0.008 -0.050 0.041 0.006 0.009 0.003 0.009 0.002 -0.008 0.035 -0.061 -0.141 -0.005 -0.001 -0.003 -0.252 0.276 0.564 0.001 0.013 0.026 -0.006 -0.005 -0.001 -0.002 0.003 -0.003 0.054 -0.027 -0.050 -0.015 -0.056 0.019 -0.003 0.007 -0.018 -0.015 0.009 -0.030 0.004 -0.001 -0.009 -0.001 0.003 0.000 0.001 -0.002 0.008 -0.088 -0.100 0.043 0.016 -0.007 -0.032 -0.004 -0.001 0.031 -0.005 0.013 -0.011 -0.071 0.506 -0.466 0.021 0.034 0.011 -0.018 -0.037 0.024 -0.076 0.127 0.289 -0.008 -0.008 -0.004 -0.209 0.226 0.542 0.016 -0.023 -0.049 0.007 0.012 -0.001 0.004 -0.004 0.003 -0.064 0.020 0.042 -0.019 -0.048 0.017 -0.013 0.008 0.004 -0.005 0.001 -0.014 -0.000 -0.002 0.000 0.005 0.004 0.003 0.001 0.000 0.004 0.105 0.002 -0.012 0.012 -0.007 -0.029 0.003 0.010 0.003 0.007 -0.012 0.021 -0.077 0.517 -0.449 0.035 0.049 0.018 0.005 0.037 -0.008 -0.006 0.012 0.023 -0.025 -0.014 -0.025 0.147 -0.085 -0.369 0.002 -0.004 -0.002 0.021 0.033 -0.006 -0.004 -0.007 0.002 0.052 -0.026 0.031 0.008 0.028 -0.007 -0.002 -0.003 0.004 -0.404 0.282 -0.517 -0.021 0.007 -0.003 -0.012 0.003 -0.009 0.063 -0.054 0.084 0.016 0.022 -0.011 0.018 -0.002 0.032 -0.070 0.016 0.227 -0.032 0.132 -0.021 0.017 -0.069 0.127 0.172 0.325 0.171 0.156 -0.052 -0.104 -0.000 0.002 0.002 -0.004 -0.006 -0.003 -0.511 0.547 -0.638 -0.001 -0.003 0.001 0.005 0.010 -0.004 -0.001 0.003 -0.001 -0.020 0.012 0.014 0.011 -0.016 0.010 0.001 0.004 -0.002 -0.000 -0.009 0.010 -0.003 0.000 0.003 -0.000 -0.003 0.000 0.006 0.004 -0.002 -0.002 -0.015 0.007 -0.005 -0.037 0.029 -0.003 0.001 0.006 0.001 -0.009 0.002 -0.007 0.162 -0.023 0.012 0.012 0.002 0.014 0.014 -0.015 -0.001 0.004 0.001 0.000 0.000 0.000 -0.006 0.003 -0.011 0.000 -0.001 -0.001 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.294 0.041 0.688 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.002 0.029 -0.059 -0.000 0.000 -0.000 -0.001 -0.000 0.001 0.000 -0.000 -0.000 0.001 0.000 -0.002 -0.001 0.000 -0.001 0.001 -0.000 0.001 -0.002 -0.001 0.001 -0.245 -0.530 0.305 -0.000 0.000 0.000 -0.001 0.000 -0.001 -0.758 -0.648 -0.007 -0.001 0.000 -0.001 0.001 0.001 -0.000 0.000 -0.000 -0.000 0.007 0.014 -0.006 -0.001 -0.004 0.002 0.000 -0.000 0.001 -0.001 0.001 -0.002 0.000 0.000 0.000 -0.000 -0.001 0.000 0.001 -0.001 0.001 0.000 0.003 -0.004 0.047 0.047 -0.002 -0.003 0.000 -0.003 0.002 -0.001 0.001 -0.004 -0.035 0.007 0.006 0.000 0.005 -0.001 0.001 -0.002 -0.000 0.003 0.004 0.000 -0.000 -0.000 0.012 0.012 0.001 0.000 -0.000 -0.001 -0.001 -0.001 0.000 0.000 0.000 0.000 0.458 0.852 -0.217 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.025 -0.052 0.018 -0.000 0.000 0.000 -0.000 0.002 0.006 -0.001 -0.001 -0.000 0.004 -0.001 0.000 -0.006 -0.001 -0.001 0.005 0.000 -0.000 -0.003 0.002 -0.002 -0.064 -0.051 -0.077 -0.000 0.000 0.000 0.036 -0.036 0.028 -0.005 -0.002 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.001 0.000 -0.000 -0.001 -0.002 0.001 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.020 -0.007 0.005 0.000 0.000 0.000 0.000 -0.000 0.000 0.001 0.002 0.005 0.000 0.000 0.000 -0.315 0.121 -0.071 -0.009 -0.002 -0.000 0.002 0.000 0.000 -0.573 0.586 -0.453 -0.002 -0.001 -0.003 0.000 -0.000 -0.000 -0.013 0.014 -0.010 0.005 0.003 -0.000 0.000 0.000 -0.000 -0.001 -0.001 0.000 -0.001 -0.000 0.000 0.003 0.006 -0.002 0.000 -0.000 0.000 0.000 0.000 0.001 -0.000 -0.000 0.000 0.054 -0.021 0.012 -0.001 -0.001 -0.001 0.000 0.000 -0.000 -0.002 -0.005 -0.011 -0.000 -0.000 -0.000 -0.856 0.328 -0.192 0.017 0.004 0.000 -0.004 -0.001 -0.000 0.211 -0.215 0.166 0.011 0.004 0.015 0.000 -0.000 -0.000 0.001 -0.001 0.000 0.000 0.001 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.061 -0.012 -0.001 0.002 0.003 0.000 -0.003 -0.000 0.000 -0.000 -0.000 -0.001 -0.000 -0.000 -0.000 -0.001 0.000 -0.000 0.001 0.000 0.001 0.000 0.000 0.000 0.003 0.009 0.020 -0.000 -0.000 0.000 0.012 -0.004 0.003 0.976 0.199 0.014 0.056 0.005 0.001 -0.009 0.009 -0.007 -0.011 -0.005 -0.015 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.002 -0.000 0.001 0.000 0.000 0.000 -0.000 -0.000 0.000 0.001 0.000 -0.000 -0.000 -0.001 0.001 -0.044 -0.005 -0.000 0.006 0.017 0.041 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.001 0.000 0.001 0.000 0.000 0.000 -0.104 -0.271 -0.646 0.000 0.000 -0.000 0.004 -0.001 0.001 -0.024 -0.006 -0.000 0.699 0.073 0.003 -0.002 0.002 -0.002 -0.009 -0.004 -0.012 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.005 0.004 -0.001 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.003 -0.001 -0.000 0.000 -0.002 0.004 0.044 0.004 0.000 0.006 0.017 0.040 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.004 0.002 0.006 0.000 0.000 0.000 -0.103 -0.267 -0.636 -0.000 -0.000 0.000 0.007 -0.003 0.001 0.052 0.011 0.001 -0.699 -0.072 -0.004 -0.005 0.005 -0.004 -0.064 -0.028 -0.092 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.001 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.001 0.000 0.000 -0.028 -0.079 0.043 -0.004 -0.000 -0.000 -0.001 -0.002 -0.005 0.000 0.000 -0.000 0.001 -0.000 0.000 0.036 0.020 0.047 -0.000 -0.000 0.000 0.014 0.035 0.083 0.000 0.000 -0.000 -0.016 0.006 -0.004 -0.024 -0.005 -0.000 0.069 0.007 0.000 0.007 -0.007 0.006 -0.542 -0.237 -0.789 -69.450085 41.710682 66.179328 78.639197 84.232464 116.350356 143.821483 171.171664 180.422910 188.246633 195.632764 216.473519 218.744488 226.125577 234.608531 244.159924 255.395951 262.465242 275.434629 286.076821 302.006630 335.119902 352.492514 359.846443 370.829714 397.053940 440.034731 506.841922 562.416900 580.570101 591.369394 618.192442 631.254246 658.022015 689.109907 739.330377 750.030353 777.681947 781.486029 787.606541 807.178275 887.404161 889.289336 900.126626 1069.720640 1583.648039 2839.538943 3300.041978 3592.715476 3600.846492 3628.159998 3642.682147 3644.814757 3649.815822 636.944070 1879.518841 661.785626 1935.086554 440.616766 3240.784449 829.711660 104.181059 716.993661 1096.127261 1477.359931 1164.162256 210.480676 710.071111 371.994473 213.016281 188.967684 497.831366 2274.895034 1738.600045 709.342903 1625.058356 1115.669538 531.077033 1701.273702 2194.400044 2473.101467 288.521342 2366.713259 953.672267 4746.782911 1805.020816 2794.001465 2722.984688 136.238599 2846.232286 1119.652018 1882.262003 1081.803989 1003.233378 888.942376 1411.807729 635.650977 1465.365175 1091.904109 299.294947 2945.529579 923.563667 517.301592 350.421601 204.900021 134.801485 469.026419 156.423245 -11.087973 19.650429 10.977862 38.143236 9.302905 94.513954 29.910869 4.469909 32.425380 51.720923 72.444593 63.167889 11.540574 40.246638 21.875519 13.036627 12.097054 32.751570 157.057245 124.669560 53.697093 136.504589 98.574264 47.901907 158.134557 218.395348 272.776505 36.654605 333.643045 138.781600 703.616936 279.694532 442.088291 449.121342 23.532428 527.456880 210.494124 366.910519 211.908251 198.056617 179.854432 314.032854 141.690220 330.618800 292.774296 118.805384 2096.473068 763.949013 465.848509 316.281324 186.340177 123.081852 428.500011 143.103519 -69.450 67.180 0.032 0.090 -0.040 10.483 0.00278280 16.293386 1.000000 298.150000 1658.3143 6285.0767 6356.7794 1 NOSYM 298.15 43.568 32.560 65.643 141.771 0.889 0.889 80.179 81.957 2.981 2.981 62.092 68.054 351.874 AuxInfo=1/1/N:4;13;12;2;15;6;8;9;11;1;5;10/rA:20nO1OHMoOOHOOO1OOMoHOHHHHH/rB:;;s1;s4;s4;;s4;s4;;;s7;s2s5s10s11;s9;s3s13;s11;s6;s8;s2;s12;/rC:1.1767,-6.5094,-1.5462;4.2398,-2.4722,-3.2092;1.5244,-4.722,-4.5779;1.5625,-7.2231,-3.0912;3.0494,-6.2974,-3.6274;2.6056,-8.8723,-2.8627;1.9213,-4.8603,-1.5368;.6944,-6.092,-4.5364;.0352,-8.4071,-3.392;4.8742,-5.0332,-2.3392;5.0286,-4.5609,-5.1306;2.3613,-3.9994,-1.7711;3.9232,-4.3138,-3.6049;-.0967,-8.7766,-4.2901;2.2734,-4.0327,-4.574;5.925,-4.9042,-4.9191;3.5642,-8.6671,-2.8479;-.2791,-6.195,-4.5328;3.6333,-1.8676,-3.693;2.8942,-3.7867,-.9772;/R:/0/N:4,13,6,8,9,1,2,11,15,10,5;12/E:(1,2)(3,4,5,7,8,9)(6,10);/CRV:6.1,10.1; 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -8.431 -8.231 -8.207 -7.981 -7.885 -7.763 -7.665 -7.509 -7.474 -7.358 -4.722 -4.305 -4.013 -3.490 -3.276 -3.149 -1.983 -1.574 -0.941 -0.734 A A A A A A A A A A A A A A A A A A A A 0.00000000011073 0.00007488795635 0.00006210889164 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 O O H Mo O O H O O O O O Mo H O H H H H H -0.7421 -0.7189 0.3032 2.4534 -0.8737 -0.8104 0.3717 -0.8214 -0.7453 -0.6314 -0.7231 -0.6596 2.4028 0.3128 -0.7395 0.3199 0.3143 0.3192 0.3165 0.3515 1.9940 1.8844 0.5293 0.1052 1.9532 1.8824 0.5024 1.8717 1.8770 1.9853 1.8857 1.8474 0.1499 0.5891 1.8777 0.5832 0.5856 0.5858 0.5868 0.5715 4.7232 4.8073 0.1675 -0.1817 4.9004 4.9002 0.1259 4.9195 4.8438 4.6218 4.8098 4.7776 -0.1884 0.0981 4.8394 0.0969 0.1002 0.0950 0.0968 0.0769 0.0249 0.0272 0.0000 3.6230 0.0201 0.0279 0.0000 0.0302 0.0245 0.0243 0.0276 0.0346 3.6357 0.0000 0.0224 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 O O H Mo O O H O O O O O Mo H O H H H H H -0.761764 -0.544260 0.062293 2.634991 -0.926538 -0.625693 0.075380 -0.548053 -0.574302 -0.738631 -0.547497 -0.272413 2.666202 0.119048 -0.611831 0.134571 0.095715 0.099226 0.129520 0.134036 -0.605241 -0.701143 0.315589 1.939323 -0.691999 -0.792674 0.301403 -0.764125 -0.760023 -0.589827 -0.690700 -0.658277 1.945744 0.426834 -0.713405 0.431046 0.382020 0.390332 0.426556 0.408567 -0.583109 -0.800884 0.439611 1.907409 -0.768408 -0.813212 0.336227 -0.957906 -0.828750 -0.740491 -0.772828 -0.726482 2.449890 0.478511 -0.882459 0.438877 0.448329 0.513548 0.436831 0.425296 1.34140187 2.15118188 -1.62418726 3.01080167 18.84440901 -2.72152967 -5.38237442 -28.17026885 13.80476642 9.32585984 -77.8350 0.1108 48.0164 -89.3348 -1.0005 -120.0430