Orca 6.0.0 RELEASE 1 2 3 4 11s6p2d1f 5s2p1d 11s6p2d1f 11s6p2d1f 5s3p2d1f 3s2p1d 5s3p2d1f 5s3p2d1f 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N 1 1 1 1 1 1 2 2 2 2 3 2 1 2 2 1 2 1 3 3 2 2 2 2 4 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.4361,-.712,-.5003;1.1467,-.6746,-1.0071;.2995,.3974,-.725;.7701,1.4274,.0848;2.0484,1.3955,.5947;2.8973,.3207,.3118;3.0889,-1.5363,-.7496;.842,-1.4475,-1.703;.1345,2.2734,.2963;2.4258,2.1961,1.2088;4.1293,.3412,.8389;4.6581,-.4148,.5531;-1.1232,.3844,-1.2171;-1.4967,1.3981,-1.3564;-1.1915,-.1365,-2.1731;-2.0212,-.3302,-.1899;-3.0127,-.5126,-.6118;-2.196,.4893,1.1052;-1.8975,-.0162,2.1584;-2.6814,1.6809,.9144;-2.8039,2.1822,1.7404;-1.8361,-2.4486,-.0692;-.3766,-1.5565,-.0358;-1.4206,-1.5274,1.3151;-1.385,-1.5938,.2615; Method DFT(GTOs) Exchange WB97X-V Correlation WB97X-V PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.167000 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.833000 Range separation parameter mu (erf(mu*r12)/r12) 0.300000 RI-approximation to the Coulomb term is turned on functions 769 RIJ-COSX (HFX calculated with COS-X)) on IntName H_Tyr_P1_2 HFTyp RHF Charge 1 Mult 1 NEL 96 Dim 571 ENuc 817.1471771933 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVKDIIS off CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 50 Auto Start num. interpolation iter. 10 iterations 24 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold (grad. norm) 1.000e-05 Micro threshold 0.100 Minimum threshold for Micro iter. 1.000e-02 NR start threshold (gradient norm) 1.000e-04 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Quad. conv. algorithm NR David. guess on Maximum white noise 0.010 Pseudo random numbers off Inactive MOs canonical Orbital update algorithm Taylor Preconditioner Diag Full preconditioner red. dimension 250 CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 SOSCFHessUp L-BFGS CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Method DFT(GTOs) Exchange WB97X-V Correlation WB97X-V PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.167000 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.833000 Range separation parameter mu (erf(mu*r12)/r12) 0.300000 RI-approximation to the Coulomb term is turned on functions 769 RIJ-COSX (HFX calculated with COS-X)) on IntName H_Tyr_P1_2 HFTyp RHF Charge 1 Mult 1 NEL 96 Dim 571 ENuc 810.0790858766 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVKDIIS off CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 24 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold (grad. norm) 1.000e-05 Micro threshold 0.100 Minimum threshold for Micro iter. 1.000e-02 NR start threshold (gradient norm) 1.000e-04 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Quad. conv. algorithm NR David. guess on Maximum white noise 0.010 Pseudo random numbers off Inactive MOs canonical Orbital update algorithm Taylor Preconditioner Diag Full preconditioner red. dimension 250 CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 SOSCFHessUp L-BFGS CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 6 6 6 6 6 6 1 1 1 1 8 1 6 1 1 6 1 6 8 8 1 1 1 1 7 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.4361,-.712,-.5003;1.1467,-.6746,-1.0071;.2995,.3974,-.725;.7701,1.4274,.0848;2.0484,1.3955,.5947;2.8974,.3207,.3118;3.0889,-1.5363,-.7496;.842,-1.4475,-1.703;.1345,2.2734,.2963;2.4258,2.1961,1.2088;4.1293,.3412,.8389;4.6581,-.4148,.5531;-1.1232,.3844,-1.2171;-1.4967,1.3981,-1.3564;-1.1915,-.1365,-2.1731;-2.0212,-.3302,-.1899;-3.0127,-.5126,-.6118;-2.196,.4893,1.1052;-1.8975,-.0162,2.1584;-2.6814,1.6809,.9144;-2.8039,2.1822,1.7404;-1.8361,-2.4486,-.0692;-.3766,-1.5565,-.0358;-1.4206,-1.5274,1.3151;-1.385,-1.5938,.2615; 1 1 wB97X-D3BJ TightOpt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 CHELPG maxcore 3200 pal nprocs 8 chelpg grid 0.1 rmax 3.0 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5479,-.6514,-.6007;1.2504,-.6319,-1.098;.3483,.3653,-.7214;.7896,1.3607,.1514;2.0771,1.3526,.6482;2.9676,.3394,.283;3.2393,-1.4243,-.919;.9723,-1.3673,-1.8499;.1174,2.1638,.4323;2.4263,2.129,1.3174;4.207,.3871,.8029;4.7621,-.3178,.4602;-1.0858,.3288,-1.199;-1.4555,1.3396,-1.3641;-1.1577,-.2022,-2.1499;-2.045,-.3313,-.1726;-3.025,-.4829,-.6268;-2.2432,.521,1.0909;-2.0276,.0465,2.1809;-2.6798,1.7275,.8341;-2.8257,2.2377,1.6436;-2.0261,-2.4489,.0101;-.5232,-1.6908,.1483;-1.6425,-1.541,1.3881;-1.5339,-1.6297,.3552; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5389,-.6589,-.6257;1.239,-.6265,-1.1177;.3393,.3619,-.7184;.7837,1.3352,.1805;2.0741,1.3178,.6716;2.9611,.3135,.2771;3.2282,-1.4277,-.961;.9477,-1.3597,-1.8669;.1136,2.1342,.4828;2.4257,2.0802,1.3573;4.2045,.3521,.7957;4.7548,-.3464,.4353;-1.0921,.3376,-1.1974;-1.4696,1.346,-1.366;-1.1696,-.2001,-2.1442;-2.0372,-.3198,-.1704;-3.0057,-.5256,-.627;-2.2791,.5363,1.0781;-2.0796,.089,2.1826;-2.729,1.7368,.7915;-2.899,2.2423,1.5982;-1.9126,-2.4318,.0284;-.4574,-1.6111,.1798;-1.5811,-1.5061,1.4049;-1.4643,-1.5897,.3761; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5342,-.6636,-.6471;1.2332,-.6232,-1.1353;.3347,.3574,-.7201;.7769,1.3113,.2022;2.0665,1.2856,.694;2.9539,.2925,.2731;3.223,-1.4252,-.9966;.933,-1.3533,-1.8824;.1078,2.1035,.5221;2.4155,2.0326,1.3959;4.1995,.3248,.7921;4.7484,-.3678,.4148;-1.0928,.3412,-1.2027;-1.4723,1.3454,-1.3929;-1.1749,-.2173,-2.1367;-2.0262,-.3008,-.1632;-2.9894,-.5483,-.6113;-2.2901,.5616,1.0718;-2.0896,.142,2.1849;-2.7872,1.7437,.7645;-2.9816,2.2385,1.5744;-1.8315,-2.409,.0318;-.4022,-1.5479,.1992;-1.5406,-1.4896,1.4204;-1.414,-1.5546,.3925; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5371,-.654,-.6533;1.2361,-.6186,-1.1419;.3311,.353,-.7205;.7653,1.3024,.2104;2.0537,1.2808,.7045;2.9484,.2976,.2745;3.2311,-1.4078,-1.0082;.939,-1.3464,-1.8919;.0914,2.0877,.5364;2.3957,2.0231,1.414;4.1938,.335,.7948;4.7468,-.3514,.4114;-1.0956,.3309,-1.205;-1.4758,1.3319,-1.4111;-1.1762,-.24,-2.1316;-2.0303,-.302,-.1592;-2.9955,-.5519,-.6022;-2.2919,.5629,1.0725;-2.0963,.1501,2.1878;-2.7385,1.7647,.7558;-2.9169,2.2653,1.5664;-1.8364,-2.4111,.022;-.4082,-1.5522,.2029;-1.552,-1.5103,1.4218;-1.4216,-1.5603,.3952; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5446,-.6512,-.6582;1.2428,-.617,-1.1452;.3362,.3513,-.7195;.7698,1.3002,.2122;2.0585,1.2795,.7048;2.9549,.2989,.2713;3.2397,-1.4023,-1.0163;.9463,-1.3419,-1.8984;.0956,2.0841,.5404;2.3996,2.0205,1.4162;4.2008,.3377,.7895;4.7543,-.3468,.4038;-1.0918,.3277,-1.2029;-1.4693,1.3276,-1.418;-1.1724,-.2497,-2.1256;-2.0306,-.2992,-.1546;-2.9975,-.546,-.5962;-2.2897,.5688,1.075;-2.1181,.1524,2.1922;-2.7408,1.7687,.7537;-2.9332,2.2647,1.5638;-1.8441,-2.4088,.0154;-.4177,-1.5535,.216;-1.5715,-1.5239,1.4249;-1.4322,-1.5622,.4008; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5463,-.6511,-.6619;1.244,-.6168,-1.1479;.3368,.3495,-.7182;.7706,1.2967,.215;2.0599,1.2757,.7059;2.9569,.2966,.2698;3.2418,-1.4007,-1.023;.9485,-1.3375,-1.9056;.0964,2.0797,.5453;2.4015,2.0155,1.4186;4.203,.3347,.7867;4.7568,-.3484,.3994;-1.0917,.3267,-1.2015;-1.4675,1.3265,-1.4183;-1.1721,-.2524,-2.1234;-2.0308,-.2989,-.1529;-2.9976,-.5469,-.5943;-2.2924,.5721,1.0747;-2.1193,.1589,2.1928;-2.7495,1.7687,.7499;-2.946,2.2663,1.5579;-1.829,-2.4066,.008;-.4142,-1.5387,.2354;-1.5868,-1.5308,1.4273;-1.4311,-1.559,.4056; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.547,-.6497,-.6633;1.2444,-.6179,-1.1484;.3356,.3465,-.7174;.7683,1.2941,.216;2.0582,1.2755,.7054;2.9569,.2981,.2688;3.2434,-1.3984,-1.0248;.9499,-1.3381,-1.9071;.0929,2.0758,.5472;2.3992,2.0157,1.418;4.2027,.3375,.7852;4.758,-.3446,.3981;-1.0933,.3227,-1.201;-1.4674,1.3222,-1.4217;-1.1728,-.2599,-2.1209;-2.0322,-.2991,-.1508;-3.001,-.5436,-.5896;-2.2903,.5739,1.0768;-2.1245,.1587,2.1952;-2.7367,1.774,.7503;-2.9342,2.2741,1.5564;-1.8137,-2.4053,-.0121;-.4138,-1.5246,.2545;-1.6083,-1.5488,1.4242;-1.4338,-1.5593,.4061; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5458,-.6505,-.6599;1.2431,-.6204,-1.1446;.3346,.3459,-.717;.768,1.2968,.2128;2.0582,1.2797,.7018;2.9566,.3007,.2686;3.2417,-1.401,-1.0186;.9478,-1.3445,-1.8991;.093,2.08,.5413;2.3999,2.0226,1.4113;4.2025,.3418,.7841;4.7579,-.3417,.3997;-1.0944,.3215,-1.201;-1.4681,1.321,-1.4228;-1.1732,-.262,-2.1203;-2.0332,-.2987,-.1505;-3.0037,-.5391,-.5876;-2.2878,.5721,1.0797;-2.1271,.1522,2.197;-2.7249,1.7763,.7558;-2.9215,2.2759,1.5623;-1.8053,-2.4047,-.0317;-.4153,-1.5191,.2642;-1.6235,-1.5641,1.4177;-1.4369,-1.5614,.4021; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5438,-.6521,-.6551;1.2413,-.6228,-1.1401;.3338,.3465,-.7173;.7682,1.3011,.2083;2.0583,1.2848,.6977;2.9557,.3031,.2689;3.239,-1.4049,-1.0104;.9452,-1.3508,-1.8904;.0939,2.0863,.5332;2.4006,2.0306,1.4039;4.2017,.3455,.7842;4.7564,-.3403,.4029;-1.0951,.3217,-1.2014;-1.4692,1.3213,-1.4225;-1.1739,-.2613,-2.1211;-2.0335,-.2983,-.1508;-3.0055,-.5356,-.5867;-2.2847,.5695,1.082;-2.1273,.1448,2.198;-2.7152,1.7769,.7619;-2.9101,2.2751,1.5698;-1.8014,-2.4047,-.0463;-.4166,-1.5186,.2676;-1.6319,-1.5743,1.4117;-1.4392,-1.5639,.3975; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5424,-.6534,-.652;1.2401,-.6239,-1.1374;.3334,.3475,-.7178;.7686,1.3042,.2052;2.0585,1.2879,.6952;2.9549,.3041,.2693;3.237,-1.4077,-1.0051;.9437,-1.3538,-1.8859;.0949,2.0909,.5276;2.4013,2.0353,1.3993;4.201,.3468,.7848;4.755,-.3407,.4055;-1.0953,.3225,-1.2018;-1.47,1.3222,-1.4215;-1.1745,-.2594,-2.1221;-2.0333,-.2982,-.1514;-3.0059,-.5346,-.5866;-2.2828,.5677,1.0831;-2.1258,.1407,2.1982;-2.7117,1.7763,.7654;-2.9054,2.273,1.5745;-1.8013,-2.405,-.0517;-.4171,-1.5204,.2666;-1.6334,-1.5773,1.4089;-1.4399,-1.5653,.3948; 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5418,-.6539,-.6509;1.2396,-.6242,-1.1366;.3332,.348,-.7181;.7686,1.3054,.204;2.0584,1.2891,.6943;2.9544,.3043,.2696;3.2362,-1.4087,-1.0031;.9433,-1.3543,-1.885;.0951,2.0926,.5254;2.4013,2.037,1.3978;4.2004,.3469,.7855;4.754,-.3412,.4068;-1.0955,.3229,-1.2021;-1.4705,1.3226,-1.421;-1.1749,-.2584,-2.1227;-2.0332,-.2983,-.1516;-3.0059,-.5347,-.5864;-2.2818,.567,1.0833;-2.1247,.1394,2.1981;-2.7106,1.7761,.7666;-2.9035,2.2721,1.5762;-1.8014,-2.4052,-.0528;-.417,-1.5213,.2658;-1.6332,-1.5778,1.4081;-1.4399,-1.5658,.394; -630.874896278012 -630.877405154423 -630.878610918116 -630.879038507648 -630.879108464126 -630.879193521643 -630.879219240310 -630.879240725045 -630.879249335014 -630.879252871282 -630.879253961586 -630.879254200672 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N -0.007656 -0.029703 -0.109774 0.006935 0.029366 -0.192468 0.022276 0.024204 0.026836 0.032736 0.381175 -0.089470 0.007196 0.047779 0.039241 -0.040417 0.044868 -0.439159 0.158568 0.427781 -0.045487 0.044217 0.032725 0.025749 0.602484 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N 6.1113 6.3193 5.9245 6.1825 6.0965 5.8276 0.8776 0.8187 0.8641 0.8538 8.2633 0.7763 6.1941 0.8546 0.8551 6.0026 0.8407 5.7117 8.2909 8.2326 0.7305 0.7624 0.7828 0.7662 7.0601 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 8.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 8.0000 8.0000 1.0000 1.0000 1.0000 1.0000 7.0000 -0.1113 -0.3193 0.0755 -0.1825 -0.0965 0.1724 0.1224 0.1813 0.1359 0.1462 -0.2633 0.2237 -0.1941 0.1454 0.1449 -0.0026 0.1593 0.2883 -0.2909 -0.2326 0.2695 0.2376 0.2172 0.2338 -0.0601 3.9674 4.0218 3.5605 4.0733 3.9897 4.1427 1.0067 0.9967 1.0102 1.0075 2.2444 1.0207 3.8530 1.0134 1.0009 3.9096 1.0023 4.3344 2.1968 2.2987 0.9912 0.9725 1.0456 1.0280 3.5746 3.9674 4.0218 3.5605 4.0733 3.9897 4.1427 1.0067 0.9967 1.0102 1.0075 2.2444 1.0207 3.8530 1.0134 1.0009 3.9096 1.0023 4.3344 2.1968 2.2987 0.9912 0.9725 1.0456 1.0280 3.5746 -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 1.4982 1.3974 0.9434 1.3054 0.9237 1.3780 0.8051 1.5412 0.9537 1.3843 0.9532 1.1970 0.9819 1.0075 1.0124 0.9364 0.9799 0.9545 0.9057 1.9730 1.3290 0.1318 0.9300 0.9344 0.8843 0.8619 0 1 0 5 0 6 1 2 1 7 2 3 2 12 3 4 3 8 4 5 4 9 5 10 10 11 12 13 12 14 12 15 15 16 15 17 15 24 17 18 17 19 18 23 19 20 21 24 22 24 23 24 1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N -0.111326 -0.319303 0.075549 -0.182537 -0.096509 0.172361 0.122423 0.181333 0.135884 0.146165 -0.263325 0.223710 -0.194126 0.145361 0.144886 -0.002561 0.159311 0.288288 -0.290926 -0.232619 0.269479 0.237584 0.217173 0.233787 -0.060062 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -528.9796 -527.4062 -526.9463 -399.8092 -288.0687 -286.2664 -284.8913 -284.2251 -283.6442 -283.5807 -283.3507 -283.2298 -283.0444 -38.9217 -36.5675 -35.9954 -35.3319 -31.1275 -29.7745 -28.0389 -27.8386 -26.1238 -25.0088 -24.3391 -24.1196 -23.5210 -23.1105 -21.8323 -21.5171 -21.1774 -20.8527 -20.4536 -19.9159 -19.4657 -18.8298 -18.6420 -18.2936 -18.1061 -17.9300 -17.8133 -16.8843 -16.5648 -16.3315 -16.0014 -15.6717 -15.4632 -13.4044 -12.2298 -2.3742 -2.0881 -1.8205 -1.4218 -0.8328 -0.1319 0.0607 0.2239 0.6537 0.8614 0.9566 0.00 0.00 0.00 0.00 0.00 0.00 39.45 60.47 78.16 97.85 179.66 207.81 227.34 324.08 349.47 373.00 393.94 424.98 430.24 434.61 492.93 524.99 564.41 613.20 650.25 658.09 735.71 746.28 775.68 846.44 859.32 871.17 890.33 921.61 965.50 980.14 1019.13 1039.94 1049.26 1110.56 1132.08 1147.66 1192.28 1207.74 1210.61 1227.64 1250.42 1317.29 1335.95 1345.35 1365.63 1372.01 1390.06 1459.89 1494.09 1499.87 1500.31 1581.19 1616.03 1669.47 1676.03 1700.75 1846.02 3100.01 3128.48 3157.05 3178.48 3202.97 3208.12 3235.34 3293.09 3330.53 3554.32 3778.11 3874.19 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.074787 0.075307 -0.161139 0.060268 0.081367 -0.120038 0.029263 -0.013808 0.032774 0.008182 -0.125239 0.159785 0.020239 -0.138079 0.128531 0.056205 -0.033746 -0.039277 0.098732 0.153948 -0.282511 0.066758 0.161951 -0.199760 -0.016113 -0.197890 0.288707 0.002677 -0.224082 0.228483 0.069266 -0.047611 -0.070278 0.091043 0.033593 -0.186218 0.024382 -0.003514 0.044020 0.023723 -0.001515 0.053104 0.025211 0.006431 0.038487 0.022221 -0.015272 0.038429 0.059332 -0.105880 0.005414 -0.104899 0.035999 -0.023863 -0.108882 0.120411 0.009306 -0.203139 -0.023381 -0.117208 -0.281810 0.011647 -0.157466 0.113468 0.001631 0.216486 0.082534 0.088657 0.108793 0.101563 0.136361 0.139250 0.087378 0.056351 0.134546 0.061405 -0.030073 0.038384 0.028087 -0.074447 0.128012 0.047663 -0.051957 0.119850 0.093921 -0.003799 0.048759 0.131720 0.045540 -0.046220 0.123213 0.048312 -0.070680 0.045661 -0.042929 0.034938 -0.007606 -0.115809 0.182169 0.106269 0.007557 0.046634 0.172326 0.094769 -0.118293 0.178202 0.131411 -0.209887 0.158845 0.118356 -0.214414 0.060340 0.003268 0.071905 0.119716 0.023907 0.064857 0.086668 0.027886 0.053598 -0.043224 0.028021 -0.015582 -0.020412 0.088132 -0.102326 -0.138380 -0.022745 0.002443 -0.451849 -0.151083 -0.002355 0.132624 0.077899 0.021083 0.035148 0.031706 0.026344 -0.074771 0.020774 -0.169811 -0.137043 -0.020930 0.182144 -0.365672 -0.123944 -0.055172 -0.160264 -0.024756 -0.014083 -0.054124 -0.104052 0.095430 -0.052318 -0.028515 0.098075 0.033881 0.092262 0.011060 0.127042 0.149930 -0.095421 0.137115 0.090929 -0.117059 0.041380 -0.042435 -0.011125 -0.126682 -0.205437 0.169644 -0.119728 -0.070175 0.164031 0.189000 0.230312 -0.157708 0.213495 0.136829 -0.202976 0.048216 -0.111436 -0.021936 -0.022523 -0.207763 0.049803 0.024891 0.128401 0.040409 0.013523 0.146259 0.143578 0.013512 0.216419 -0.013641 0.034998 0.014376 -0.007103 0.073567 -0.045275 -0.059627 -0.091336 -0.040833 0.004572 -0.014680 -0.026992 -0.000314 -0.293637 -0.109771 0.018742 -0.355190 -0.142259 0.023851 0.124652 0.024363 0.007856 0.102973 0.081885 -0.048108 0.137309 0.051782 -0.009972 0.106728 0.044881 -0.016950 0.035962 -0.021983 0.064267 0.014155 -0.067791 0.117363 0.007413 -0.077513 0.124607 0.007521 -0.078000 0.126811 0.028099 -0.029311 0.070734 0.057160 0.024054 0.005853 0.044905 -0.002491 0.040340 0.017200 -0.073447 0.120880 -0.000475 -0.094145 0.151208 0.031197 -0.013321 0.052141 0.107486 0.131783 -0.123991 0.115505 0.153990 -0.152631 0.036173 0.001927 0.026169 0.117223 0.029304 0.008816 0.073768 0.023462 0.008949 -0.100422 0.045594 -0.069358 -0.106652 0.198022 -0.133874 0.009737 0.028388 -0.041388 0.286229 0.085034 -0.059314 -0.194787 -0.032825 -0.001820 -0.068102 -0.013120 0.016077 -0.456334 0.002536 -0.087914 -0.267096 -0.231290 -0.214573 -0.143828 -0.017915 -0.107970 -0.263114 -0.057644 -0.131551 0.157824 0.079655 -0.121014 0.151302 -0.002371 -0.131341 0.074008 -0.088386 -0.087071 0.053631 -0.017155 -0.152288 0.042911 0.053655 -0.132119 0.067551 0.033160 -0.029002 0.204791 0.122457 -0.120807 0.206539 -0.014252 -0.141097 0.018598 -0.029616 -0.191239 -0.003936 0.081436 -0.139001 -0.021861 -0.040116 0.200657 0.019510 -0.048803 0.276710 0.039935 -0.089513 -0.011671 0.096371 -0.088318 -0.116623 -0.030256 -0.181145 0.050044 -0.030903 0.069353 0.032462 -0.044052 0.174250 0.002578 -0.045044 0.034283 0.069933 -0.042430 -0.022795 0.051296 -0.132866 0.019214 0.147378 -0.142746 -0.037655 0.180535 -0.379864 0.032763 0.115344 -0.195781 -0.193346 -0.055806 -0.103335 0.088855 0.054503 -0.187684 -0.005693 0.031995 -0.017549 0.123765 -0.088541 -0.046727 0.147249 0.015215 -0.036950 0.101889 0.127892 0.058187 0.140616 0.052946 0.106682 0.119382 -0.046444 0.033128 0.041618 -0.031046 -0.050415 0.126516 -0.159365 -0.097388 0.185038 -0.001705 0.105928 0.165043 0.091507 0.169924 0.119165 -0.076408 0.008381 -0.167034 0.050252 -0.074005 -0.226921 0.038935 -0.031622 -0.028455 0.108655 -0.138583 -0.067557 0.118662 0.083810 -0.002639 0.083224 -0.058918 -0.128821 0.018597 -0.048466 -0.083671 -0.026065 -0.000895 -0.063507 -0.038717 0.028468 0.042364 -0.004622 0.100228 -0.061560 -0.173236 0.163095 0.062331 -0.235041 -0.329592 -0.159513 0.198713 -0.150031 -0.322109 -0.094745 0.004801 -0.022356 0.075617 -0.135173 -0.160051 0.043130 -0.010555 -0.018359 0.023123 -0.004359 -0.004508 0.001727 0.004701 0.009965 -0.015567 -0.004716 -0.003113 0.001125 -0.011419 -0.012394 0.014754 -0.008041 -0.007522 0.009337 -0.012282 -0.024119 0.032113 0.001729 0.004455 -0.010361 -0.004543 -0.001025 -0.003589 -0.012289 -0.014633 0.017655 0.002732 0.022566 -0.018330 0.007423 0.027670 -0.020647 0.007755 0.020697 -0.014596 0.007058 0.025379 0.007411 -0.000123 0.035427 -0.022635 0.017770 0.000887 -0.015687 0.021293 -0.001829 -0.020797 -0.004844 -0.002750 -0.013482 -0.027282 -0.032977 -0.018114 0.019068 0.007519 0.016272 0.009900 -0.011992 0.026333 -0.406247 -0.041647 0.463232 -0.031462 -0.262388 -0.435364 0.436199 0.372023 0.119617 0.016818 0.010240 0.019978 -0.018573 0.043533 0.007572 -0.015300 0.046036 0.042856 -0.019136 0.035524 0.043037 -0.008191 0.042484 0.041045 0.014529 0.033989 0.024623 0.005228 0.024770 0.008465 -0.029747 0.038828 -0.004593 -0.034496 0.035633 0.062512 0.007145 0.049264 0.058031 0.019288 0.031711 0.025464 0.028403 -0.081521 -0.040447 -0.051033 -0.114279 -0.097080 0.020643 -0.121117 -0.086567 -0.043775 -0.196251 -0.333069 0.186617 -0.308861 0.017481 -0.043310 -0.020303 -0.094564 -0.010945 -0.113064 -0.115899 -0.034690 0.008583 -0.112519 0.073874 -0.124120 -0.169873 -0.020595 0.058485 0.122106 0.118973 -0.068529 0.235445 0.172194 -0.008571 0.222201 -0.001611 0.201087 0.363434 -0.202570 0.286956 0.144799 -0.017935 0.099860 0.167201 -0.047211 -0.024805 0.101965 0.025037 0.101793 -0.048818 0.052035 0.155823 -0.138218 0.023992 0.111580 -0.069287 -0.037638 -0.047105 0.131213 -0.031412 -0.035579 0.096212 -0.064854 -0.063059 0.148182 0.034704 0.114799 -0.064644 0.045716 0.144669 -0.101407 -0.068187 -0.099047 0.202246 0.054639 -0.024232 -0.109550 0.008112 0.039631 -0.293157 0.044819 -0.101184 -0.092263 -0.122590 -0.222360 -0.370962 0.108111 -0.375300 0.071468 0.092555 0.029541 0.041482 0.050903 0.130174 0.073298 0.067667 0.013712 0.057453 -0.046241 0.024678 0.078179 -0.034796 -0.039755 -0.009003 -0.180768 -0.039639 -0.044129 -0.173224 0.008877 -0.090950 -0.079425 -0.223355 0.082916 -0.167956 -0.142568 -0.011786 -0.088780 -0.077509 0.006447 -0.001061 0.048979 0.000506 -0.010899 -0.001346 0.061849 -0.034954 -0.039568 0.084969 -0.044180 -0.021525 0.078585 0.010978 0.073417 -0.033081 0.008336 0.054237 -0.022232 0.004671 0.056582 -0.004322 -0.005615 -0.003163 0.061095 -0.063729 -0.057136 0.123975 0.011370 0.103425 -0.064475 0.010232 -0.084833 -0.024852 -0.119197 -0.234221 0.057320 0.005212 -0.144734 -0.043910 0.000621 -0.225126 -0.396452 0.132924 -0.435275 0.124455 -0.003999 0.035416 0.016058 -0.030103 0.035602 0.072773 0.004779 0.040322 0.038382 -0.044419 0.048383 0.043897 -0.024632 0.039234 0.028567 -0.084962 0.013072 0.030538 -0.005068 0.047618 -0.139211 0.081612 0.028931 -0.395147 0.329018 -0.095488 -0.128924 0.105495 0.013129 -0.162318 0.001032 0.003049 0.000222 -0.003386 -0.008037 0.012398 -0.005796 -0.009629 0.012229 -0.000876 0.001703 -0.001950 0.006692 0.014824 -0.017845 0.003772 0.007132 -0.005921 -0.013454 -0.028376 0.039436 -0.008946 -0.022900 0.028942 0.005735 0.015228 -0.021113 0.016600 0.038515 -0.047857 -0.017714 -0.052390 0.057699 0.277617 0.614891 -0.724121 -0.004027 -0.007445 0.001767 0.003504 -0.007714 -0.011451 0.002230 -0.016258 0.006697 -0.007523 -0.000343 -0.000434 -0.007034 -0.005847 0.001706 -0.004910 0.002261 0.000239 -0.001024 0.003640 -0.000445 -0.000887 0.005858 0.003309 0.006764 0.004127 0.006246 0.006266 0.001233 -0.006945 0.008949 0.010142 -0.035947 0.034733 -0.003709 -0.010176 0.011336 0.002848 -0.014040 -0.018491 0.039045 -0.053432 -0.004152 -0.106985 0.024695 0.094905 -0.071085 0.079141 -0.064806 -0.009513 0.064408 -0.067778 0.121522 0.010870 -0.142195 0.091959 -0.072034 0.087801 0.104846 0.017540 -0.067328 -0.110191 0.056242 -0.176024 -0.076689 -0.006001 -0.029278 0.113518 -0.001528 -0.165262 -0.093311 -0.078098 -0.254394 -0.106697 -0.178992 0.208401 0.056892 0.022606 0.286366 0.108978 0.123251 0.162119 0.151292 -0.029834 0.216785 0.087389 -0.003802 0.196549 0.208721 -0.026987 0.138006 0.024944 -0.003890 -0.019989 -0.044875 -0.005693 -0.014406 -0.041951 -0.030539 -0.325051 -0.117535 -0.058846 -0.146258 0.060360 0.013962 -0.023988 -0.208793 0.217402 -0.207498 0.052826 0.035155 -0.045463 -0.008043 0.060186 0.067281 0.162521 -0.118230 -0.036607 -0.137577 0.159052 -0.010282 -0.037428 -0.004450 0.044385 0.099781 -0.173077 -0.073959 -0.082126 0.163646 0.003872 0.036185 0.037149 0.156666 0.315614 -0.271548 -0.059824 -0.300239 0.325446 0.094074 0.232721 -0.391587 -0.178397 -0.160087 0.298094 0.035477 -0.054949 -0.029411 -0.052983 -0.095759 -0.085195 -0.024085 0.007418 0.010855 0.026206 0.039269 0.074510 -0.068775 0.064400 -0.020979 -0.031041 -0.009009 0.000040 -0.026504 -0.029149 0.001889 -0.020011 -0.003563 0.002118 0.000008 0.008172 0.002917 0.001808 0.005468 0.000842 0.049559 0.020665 0.002828 0.015630 -0.005637 0.004627 0.016863 0.033585 -0.078527 0.081302 0.006379 -0.014887 0.022514 0.007378 -0.025638 0.003443 -0.086703 -0.167560 -0.101007 0.000288 0.082089 0.007424 0.084279 0.088783 0.053341 0.113989 0.038355 0.038176 -0.134430 -0.015843 -0.010427 -0.122761 -0.119766 -0.069916 -0.090065 -0.297617 -0.287082 0.016417 0.139135 0.155738 0.193294 0.055382 0.207469 -0.264004 0.038388 -0.111116 0.152927 0.089937 0.159947 0.274503 0.267097 0.068677 -0.059867 -0.006237 -0.012725 -0.147118 -0.266690 0.219774 -0.272839 0.113839 0.057057 0.027693 0.000744 0.051285 0.058045 -0.004094 0.037060 0.017654 -0.004045 -0.010697 -0.012800 -0.008961 -0.014820 0.001870 0.004360 -0.102113 -0.036404 0.007155 -0.038920 0.024289 -0.026282 0.006697 -0.053091 -0.002355 -0.007037 -0.009400 -0.012262 0.003854 -0.003064 -0.009581 -0.000415 0.045441 -0.001526 -0.048943 -0.013356 0.074387 -0.072816 0.019162 -0.046965 -0.028910 -0.066410 0.025854 0.014954 -0.023658 -0.036938 0.100881 0.055921 -0.051441 -0.078020 -0.041866 0.030976 -0.038450 -0.117805 0.170983 -0.013124 -0.103645 0.151815 -0.071337 -0.053221 0.037808 0.078775 -0.020147 0.064542 0.086886 -0.013455 0.060905 -0.085344 0.034054 -0.098905 -0.057861 0.000724 -0.286837 -0.093649 -0.145601 0.012985 -0.022708 0.144205 0.018829 -0.111844 0.243936 0.158935 0.108146 -0.050804 0.091114 0.021316 -0.139530 0.083288 0.047233 -0.175928 -0.161803 -0.265748 0.039411 -0.372841 -0.059272 0.184410 0.091850 -0.072416 0.216125 0.055280 -0.090062 0.316399 0.036404 -0.075888 0.221567 0.027235 0.020918 -0.046319 -0.000552 0.077347 0.025095 -0.094943 0.050143 -0.081064 0.115894 0.044285 0.075380 -0.039770 -0.005325 0.032911 0.033107 -0.125191 -0.114295 0.126228 0.149803 0.137924 -0.139616 0.103566 0.200256 -0.273542 0.068053 0.194091 -0.282834 0.134646 0.160227 -0.171771 -0.074216 0.030067 -0.083132 -0.080449 0.035655 -0.099390 0.064915 -0.039719 0.092121 0.164467 -0.049067 -0.104112 0.109780 -0.175802 0.171309 -0.109387 0.048251 0.008487 -0.066310 0.063629 -0.091161 -0.084740 -0.059659 0.051089 0.040104 -0.052007 0.043440 0.028767 -0.068037 -0.070819 0.283545 0.186285 -0.168280 0.073183 0.088680 0.018335 -0.020000 0.280779 -0.115596 0.092033 0.143709 -0.011780 -0.009263 0.148342 -0.032591 0.020931 -0.038882 0.006239 0.032124 -0.039230 0.010721 0.099268 0.080798 -0.089092 0.014477 0.010684 0.032748 -0.002773 0.012542 0.043020 0.004420 0.104338 -0.145051 -0.027675 -0.209261 0.276842 -0.061161 -0.181456 0.185726 -0.089939 -0.151514 0.206786 -0.050067 -0.196126 0.287314 -0.074861 -0.025899 0.000683 -0.071936 -0.026287 0.008525 0.069135 0.009675 -0.009566 0.035410 -0.024078 -0.101367 0.091792 -0.057963 0.028994 -0.059904 -0.022044 -0.041812 0.018632 -0.055824 -0.195118 -0.134130 -0.076582 0.031390 0.013172 0.057134 0.069239 0.011403 -0.047918 0.013539 0.608225 0.182407 0.014434 0.042679 -0.025685 0.043146 -0.018081 0.091370 -0.020797 0.017137 0.052765 -0.001529 -0.015528 0.026940 -0.009676 -0.011567 -0.028429 0.031017 0.025281 -0.017770 -0.063203 0.059085 0.030533 -0.062000 0.060270 0.010367 -0.031660 0.012011 0.006925 0.068282 0.004374 0.081720 -0.083802 -0.047477 -0.179974 0.284541 -0.020595 -0.139198 0.071882 -0.029360 -0.119816 0.099365 -0.063179 -0.166103 0.288349 -0.042922 -0.004043 0.000048 -0.044729 -0.008414 0.007257 -0.053077 -0.065038 0.216705 -0.084479 -0.102864 0.106617 -0.141843 -0.164971 0.286744 -0.031922 0.043644 0.186355 -0.026272 0.067651 0.161579 -0.028203 0.094549 0.000528 0.064853 -0.191280 -0.135160 -0.029979 0.133001 -0.098193 -0.292116 0.204842 -0.206268 -0.045517 0.092576 -0.153891 0.004976 0.008310 -0.166053 0.149488 -0.208246 -0.004019 0.024245 -0.011474 -0.014221 -0.059654 0.045276 -0.009639 -0.066485 -0.019980 -0.007947 -0.025581 -0.012352 -0.009141 0.009015 -0.050340 0.000576 0.017335 0.008333 -0.008977 0.006812 -0.011670 0.040187 -0.051524 0.092205 -0.094159 -0.036405 0.002040 -0.040851 0.028207 -0.016316 -0.043435 0.001991 0.084401 -0.082286 0.034419 0.013015 0.018698 0.038991 0.014432 0.020621 0.012164 0.010506 -0.013337 -0.002833 -0.003952 -0.052398 -0.000126 -0.043827 0.022003 0.089936 0.045500 0.038123 0.087302 0.047366 0.041128 0.010757 0.031624 0.012458 -0.012508 -0.051050 -0.016751 -0.083700 0.002318 -0.024955 0.839226 0.390839 -0.043411 -0.074137 0.044806 -0.054774 0.021114 -0.144937 0.042458 -0.033470 -0.064791 -0.001062 0.016574 -0.028365 0.010599 -0.250953 0.111595 -0.009266 -0.192126 -0.148292 -0.188239 0.024142 -0.067262 -0.037027 0.283355 -0.132054 -0.009305 0.209778 0.120704 0.180049 -0.029155 0.067271 0.041816 -0.177427 0.151934 0.050402 -0.131708 -0.181804 -0.179804 0.218720 -0.170631 -0.049036 0.156449 0.141658 0.184121 -0.033427 0.071967 0.043870 0.030225 0.100748 0.083459 0.003808 -0.023844 -0.026781 -0.025726 -0.065638 -0.163671 0.087515 -0.125845 0.027919 -0.035952 -0.027070 -0.052250 -0.035064 -0.032120 -0.051126 0.008025 -0.031815 -0.019668 -0.009862 0.062398 0.020754 0.045974 -0.029655 0.034244 -0.369351 -0.261825 0.078162 0.046468 -0.036193 0.047647 -0.006207 0.066229 0.000504 -0.002858 0.071308 -0.006639 -0.005969 0.017156 -0.011032 -0.036996 -0.049572 0.065409 0.027719 0.090065 -0.094985 -0.064355 -0.119428 0.153024 0.025712 0.073015 -0.095272 -0.035657 -0.061629 0.066336 0.060532 0.104225 -0.132926 -0.146404 -0.257207 0.296020 0.025074 0.110666 -0.112912 0.054831 0.126383 -0.161497 -0.123649 -0.210554 0.267427 0.007276 -0.011048 0.017988 0.010806 -0.019898 0.037988 -0.033790 -0.066243 0.083540 0.048653 -0.008981 0.210362 -0.034914 0.064502 0.004785 0.010112 -0.010578 -0.009972 -0.096385 0.118956 0.156184 0.219895 0.014494 -0.094744 -0.092995 0.066246 -0.044189 -0.041820 -0.103934 0.044811 0.436199 -0.168855 0.200770 0.006617 0.049256 0.004291 -0.015387 0.115429 -0.046748 0.003077 0.106946 -0.021074 -0.014947 0.075747 -0.030291 -0.142510 0.031485 0.022353 -0.109020 0.043947 -0.074059 -0.032522 -0.053298 0.067222 -0.102657 0.006558 -0.108575 -0.120455 -0.080704 -0.058589 0.081097 0.044501 -0.031296 -0.270857 -0.087389 0.024752 -0.130748 0.102013 -0.118656 -0.135555 -0.007431 -0.153870 -0.308181 -0.082670 0.033879 0.154992 -0.003765 0.066008 0.127189 -0.025573 0.055087 0.186570 0.005353 0.108854 0.258554 -0.009099 -0.062368 0.242464 -0.125277 0.187064 0.072794 0.039454 -0.016811 0.239453 0.001604 -0.357077 -0.194722 -0.062465 0.023218 0.063729 0.012889 0.021007 0.063686 0.024416 -0.004128 -0.286264 -0.046584 -0.044599 -0.043423 0.044984 -0.032288 0.020567 -0.099725 0.056655 -0.042622 0.004258 -0.016204 0.011060 0.007085 -0.005863 -0.007104 -0.046665 0.052139 0.033152 0.050649 -0.033018 -0.063137 -0.118440 0.147405 0.057557 0.042255 -0.026969 0.019513 -0.028714 0.085151 0.030481 0.084798 -0.117572 -0.020062 -0.085665 0.111850 0.093338 0.178248 -0.180336 0.145709 0.193709 -0.207975 0.053732 -0.069797 0.112829 -0.044260 -0.008367 0.002115 -0.026355 -0.004640 0.024340 -0.002945 0.049621 -0.229486 0.124340 0.127812 -0.102657 0.071682 0.173834 -0.314699 -0.044530 -0.009534 -0.082469 -0.076198 -0.144429 0.056314 -0.042323 0.066420 0.145097 0.043055 -0.103147 0.095531 -0.035595 0.112228 -0.052514 -0.173773 0.409754 -0.270990 0.082832 -0.177126 0.115814 0.038924 -0.087463 0.098935 -0.015026 -0.014528 0.027140 0.037088 -0.114285 0.037764 0.009658 -0.039941 0.107801 0.032136 0.006399 0.079833 -0.050422 -0.019126 0.015502 0.060851 -0.047164 -0.036972 0.025674 -0.044692 0.008432 0.021029 0.067715 -0.077956 0.193283 0.335242 -0.330886 0.265757 0.298676 -0.296938 0.125627 0.006669 -0.038588 0.011729 -0.044549 0.010890 -0.081022 -0.014564 -0.014047 -0.065831 0.009981 -0.031463 -0.074135 0.083475 -0.016819 -0.139449 0.003043 -0.271365 -0.091300 -0.205166 0.163064 0.077375 0.068771 0.078693 0.121059 -0.016920 0.025204 -0.109200 -0.064612 -0.055461 0.018571 0.040967 -0.048961 0.042878 -0.039450 0.012850 0.012804 -0.186577 0.096786 -0.167092 0.160021 -0.128332 0.019617 -0.200307 0.040462 -0.054305 -0.114597 0.004918 0.011700 0.002344 0.023345 0.035726 0.102440 -0.043409 0.043743 0.099770 -0.002449 -0.044255 -0.028578 0.025051 0.038104 -0.081116 0.003021 0.011069 -0.068312 0.007724 -0.014329 -0.022495 0.028086 -0.199145 -0.376862 0.530189 -0.038230 -0.263229 0.385433 0.188541 0.137439 -0.222206 0.092817 0.143879 -0.262840 -0.058649 0.007768 -0.032301 -0.067359 -0.019944 0.009553 -0.023724 0.027947 -0.006005 -0.017923 0.010618 -0.097159 -0.020767 -0.064577 0.051932 0.044129 0.033476 0.017827 0.071655 -0.012949 -0.018317 -0.055091 -0.024975 -0.014092 0.011403 0.015491 -0.012047 0.018492 -0.011563 0.004173 -0.014179 -0.058802 0.025562 -0.082144 0.056329 -0.036832 0.013985 -0.105271 0.042159 -0.035022 -0.018070 -0.004784 0.010267 -0.004956 0.003400 -0.039797 0.104764 0.067487 0.013863 0.112580 0.104837 -0.038441 -0.010771 0.005611 0.100337 -0.068707 -0.122909 0.053765 -0.047132 -0.146876 -0.022442 -0.047057 0.064873 -0.076424 0.137308 -0.053410 0.129973 0.086542 0.092893 0.017495 -0.381523 0.447030 -0.214114 -0.411774 0.359643 -0.093125 0.011014 -0.046497 -0.076571 0.038453 -0.066672 0.051217 -0.053586 0.034804 0.109706 -0.003925 0.171012 0.080123 0.093644 -0.058488 0.004447 -0.029189 -0.054082 0.015637 0.008624 -0.095259 0.028142 0.024155 0.029527 -0.002386 -0.015509 0.029971 -0.014206 0.019993 -0.003377 -0.022237 0.099629 -0.054665 0.050962 -0.053086 0.058743 0.000486 0.042737 0.021901 -0.023460 0.101297 -0.018697 -0.003633 0.012531 -0.020782 0.054655 -0.021636 -0.079817 0.008017 -0.046870 -0.060170 -0.032041 -0.070096 0.090920 -0.005555 0.100504 -0.032213 0.026140 0.117412 -0.037209 -0.039169 -0.067048 0.085228 -0.005155 -0.229897 0.236954 -0.063346 -0.087895 0.002180 -0.199168 -0.217887 0.349124 -0.149785 -0.333333 0.533448 0.044442 0.013490 -0.004275 0.031854 0.012265 -0.021984 -0.065085 0.077937 -0.065536 -0.009632 0.059325 -0.246000 -0.054069 -0.095836 0.041286 0.021881 0.064842 0.033415 0.005206 -0.024469 0.112883 -0.046643 -0.028916 -0.024698 0.006718 0.016205 -0.023921 0.017599 -0.022892 0.003529 0.036194 -0.073758 0.039555 -0.095536 0.062770 -0.052222 0.026598 -0.149804 0.042530 -0.021753 -0.093478 0.015449 0.024056 -0.031585 0.029627 -0.009562 0.024251 0.013055 0.006126 -0.005502 0.004708 0.025404 0.025964 0.002897 -0.002398 -0.055601 -0.032178 -0.032229 -0.044209 -0.044347 0.003276 0.012338 0.008077 -0.001181 0.032973 0.012873 0.026975 -0.012436 0.004651 -0.003111 -0.045293 -0.072015 -0.109295 0.011898 -0.072802 -0.003076 -0.001919 -0.001537 -0.027001 -0.011903 -0.019245 0.063840 0.172380 0.045247 0.111126 0.069691 -0.504256 0.310067 -0.245422 0.285553 -0.174554 0.069467 0.000525 -0.217069 0.162044 0.044105 0.108230 0.022304 -0.023376 -0.031798 0.000390 -0.025075 -0.013468 -0.025992 -0.001588 0.039967 -0.074388 0.041231 0.258996 -0.280859 0.141992 -0.000689 0.176372 -0.064741 0.180810 -0.130701 0.083257 0.024402 -0.133362 0.062575 0.038726 -0.052570 0.001101 0.026472 -0.017559 -0.039373 -0.030707 0.007665 0.018764 -0.000433 -0.013040 -0.020414 -0.006064 0.012997 0.015397 -0.006664 0.015636 0.005134 0.129022 0.053848 -0.060854 -0.019888 -0.140843 0.093861 -0.030794 -0.049155 0.005349 -0.033124 0.047796 -0.008280 0.004169 -0.001813 0.001769 -0.024320 -0.011758 -0.021453 -0.104128 0.059897 0.124662 -0.334689 -0.099332 -0.210253 0.075124 -0.216739 0.280805 0.066841 -0.032860 -0.123570 0.131598 -0.055765 -0.248705 0.036580 0.024564 0.029142 -0.001213 -0.007810 0.044163 -0.017509 0.030969 -0.000526 -0.036652 0.126575 -0.064219 0.026752 -0.166881 0.215533 0.063775 -0.152952 0.289165 -0.283827 0.435232 -0.098837 0.023191 -0.011888 -0.073546 -0.030783 -0.057588 0.060196 0.031371 0.083404 -0.082719 -0.009371 -0.025118 0.019771 0.009887 0.028002 -0.025535 -0.007803 -0.006332 0.027856 0.004418 0.003884 -0.011016 0.110110 0.285513 -0.396815 -0.219851 -0.468573 0.554894 -0.084208 -0.150999 0.216147 0.056963 0.114002 -0.130692 0.002287 -0.002933 0.005506 0.013971 0.008745 0.000867 0.004633 -0.009442 -0.026074 0.115650 0.040217 0.009909 -0.035079 0.040328 -0.052872 -0.009010 0.036985 0.010021 -0.028299 0.024520 0.056679 -0.014517 -0.006822 -0.006024 0.001148 0.004816 -0.008823 0.006605 -0.011904 0.001032 0.011483 -0.022919 0.008989 -0.025444 0.015860 -0.016371 0.003312 -0.024118 -0.008291 0.035749 -0.060914 0.013573 0.009973 -0.014560 0.012933 0.013007 0.025015 -0.027146 -0.013706 -0.035714 0.028381 -0.004545 -0.006343 0.010488 0.033597 0.073735 -0.088018 -0.033625 -0.065871 0.076777 0.002285 0.008739 -0.006935 -0.039040 -0.114200 0.167941 0.069050 0.152764 -0.188738 -0.183366 -0.380810 0.564743 0.170964 0.347985 -0.463112 0.000399 -0.001782 0.002592 -0.007243 -0.008202 0.002882 -0.005036 0.000568 -0.001302 0.017340 0.007045 -0.006030 -0.004102 -0.000674 -0.000890 0.000725 0.005907 -0.007171 -0.004446 0.004568 0.004399 0.002843 -0.000214 0.000102 -0.000640 -0.000254 0.000887 -0.000754 -0.000592 0.000381 0.007182 0.010494 -0.004547 0.000924 -0.002693 0.004160 0.005250 -0.014108 0.008254 -0.009701 0.003307 -0.000829 0.003317 -0.002384 0.001953 0.060444 -0.149966 -0.107688 -0.018763 0.135914 0.120035 -0.032750 0.003294 -0.024567 0.057614 -0.138342 -0.088548 -0.017376 0.158529 0.121004 -0.003432 -0.006635 -0.001823 -0.224090 -0.329807 -0.293752 -0.271237 0.313370 0.050230 -0.162540 -0.269893 -0.236440 -0.363649 0.346349 0.096847 0.009413 -0.000787 0.002626 0.034087 0.009907 0.019432 0.018114 -0.015205 0.005808 0.060714 0.007574 0.037973 0.002299 0.017473 -0.012691 -0.004418 0.017425 0.000246 0.003351 0.064106 -0.040539 -0.002159 0.000268 -0.000845 -0.000507 0.001852 -0.003498 0.002949 -0.005506 0.001177 -0.004818 -0.006947 0.000114 0.036468 -0.026285 0.007378 -0.005995 0.035811 -0.022396 0.039301 -0.025765 0.012232 -0.001044 -0.009235 0.006859 -0.003961 0.016270 0.006572 -0.008074 0.000568 0.020278 -0.013289 -0.018228 -0.042482 -0.014527 0.035132 0.036454 0.024123 0.012799 0.013990 0.004369 -0.014589 -0.012016 -0.032921 -0.012743 0.016718 0.067011 0.064036 -0.069000 0.038181 0.096638 0.011247 0.140146 -0.059130 0.039091 -0.006339 -0.000857 -0.003336 0.034634 0.015758 0.028024 -0.049378 -0.112309 0.032564 0.169691 0.011871 0.206305 -0.486503 0.012535 -0.006832 0.008625 0.208009 -0.073712 0.031620 0.486867 -0.273923 -0.041905 -0.009542 -0.002761 0.004196 0.016312 -0.011173 0.020603 -0.038815 0.005918 -0.000588 -0.001980 -0.023794 0.248014 -0.313096 0.216617 0.037428 0.083522 0.083209 0.039583 0.108078 0.012199 0.038932 -0.110029 0.010657 -0.020512 0.006928 -0.004440 0.004297 0.005162 0.022168 0.044931 0.019453 -0.025024 -0.014010 -0.007679 0.004354 0.007276 -0.003503 -0.000431 -0.007182 0.002109 -0.003604 -0.068743 -0.023441 -0.029690 0.008277 0.061607 -0.030929 -0.044466 -0.001676 -0.073030 0.067350 -0.028593 -0.002403 0.004198 0.001729 0.003256 -0.006596 -0.003556 -0.002265 -0.009999 -0.041610 0.043149 0.314323 0.067569 -0.008114 -0.034460 0.032034 0.000604 -0.126570 0.059830 -0.067513 -0.134925 -0.331932 0.141210 0.024175 0.031475 0.006663 -0.007482 0.006473 -0.005678 0.009847 -0.041627 0.013951 -0.031160 0.062027 -0.062209 -0.345988 0.262792 -0.097357 0.129172 -0.564006 0.232493 -0.272888 -0.011071 -0.065882 0.106422 0.010713 0.007818 -0.045573 0.024757 0.000196 0.021504 0.023435 0.032305 0.039138 -0.024771 -0.018090 -0.028221 0.014068 -0.000209 0.014730 0.010972 0.015357 0.002109 -0.021017 -0.015043 -0.205993 -0.059660 -0.117299 0.137411 0.001669 0.015909 -0.180238 -0.070956 -0.103647 0.199360 -0.066359 0.013332 0.000223 -0.002042 -0.001971 0.078901 0.030221 0.057076 0.019357 0.025594 -0.022969 0.286722 0.103713 -0.097345 -0.126035 -0.072102 0.052216 0.018436 -0.051534 0.108284 -0.149838 0.003405 0.448010 -0.037124 -0.009132 -0.013338 0.005936 0.004495 -0.013895 -0.000321 0.014135 -0.008840 0.037407 -0.087599 0.066720 0.105063 -0.244639 0.243242 0.024158 0.037446 0.221582 -0.192321 0.436767 -0.093252 -0.011453 -0.013264 -0.096794 0.054682 -0.022031 0.006910 -0.054624 -0.013501 -0.031824 0.013175 0.028725 0.013883 0.060463 -0.017786 0.016992 -0.045046 -0.027605 -0.041907 -0.002989 0.027632 0.018674 0.307233 0.111474 0.196757 -0.433082 0.149077 -0.044717 0.350396 0.148660 0.201924 -0.423862 0.137120 -0.045649 0.003734 0.004235 0.005654 -0.134748 -0.053779 -0.097352 0.009498 -0.026131 -0.017721 0.143785 0.033612 0.034956 -0.038517 0.026647 -0.045561 -0.001559 0.009255 0.039207 -0.110536 0.034264 0.260799 -0.032438 0.002926 -0.003757 0.003502 0.006225 -0.013475 0.007310 -0.010463 0.002722 0.007029 -0.013501 0.004733 0.029996 -0.102043 0.110005 0.028241 -0.033351 0.123619 -0.106670 0.194105 -0.047941 0.009789 -0.012472 -0.041457 -0.027903 -0.042492 -0.045654 0.045411 -0.021581 0.001108 0.026881 0.046619 0.050972 -0.008360 -0.035522 -0.030914 0.031296 -0.053155 -0.028093 -0.054003 0.090822 0.047226 -0.190828 -0.137889 -0.179235 -0.007550 0.001970 -0.000360 -0.039320 -0.055850 -0.062309 0.243760 -0.154186 -0.029927 0.045140 0.043749 0.054730 -0.604725 -0.228965 -0.425889 -0.011769 -0.020216 -0.012335 -0.224770 -0.074268 0.093304 0.148627 0.093960 -0.097504 0.013226 0.029057 -0.000589 -0.085303 0.114565 0.163903 -0.033696 0.009726 0.003337 0.001493 0.010859 -0.021212 0.013445 -0.027720 0.018858 -0.032391 0.100725 -0.075374 0.042195 -0.043950 0.024703 -0.004354 0.023066 0.009155 0.027509 0.019183 0.000950 -0.000072 -0.008921 -0.005375 0.033223 0.017135 0.028635 -0.041957 0.033109 0.007647 0.009666 0.000512 0.005713 -0.020512 -0.032519 -0.036058 0.027068 -0.010639 0.003554 -0.021753 -0.003991 -0.012392 0.370729 0.202617 0.294767 -0.456744 0.202157 0.009642 -0.343823 -0.216522 -0.271466 0.423768 -0.192767 0.008245 0.011191 -0.006050 -0.000871 0.075056 0.020195 0.048243 -0.004230 0.000113 -0.002949 -0.053031 -0.016586 0.000833 0.029105 0.017299 -0.017105 0.003790 -0.000659 0.001377 -0.005874 0.021890 0.010812 -0.004308 0.006004 0.001883 -0.001008 0.004237 -0.008905 0.004145 -0.010513 0.009053 -0.019472 0.052104 -0.036941 0.020687 -0.010766 -0.000246 -0.005588 0.014394 -0.010833 0.018602 -0.008494 0.004239 -0.003905 0.000151 0.000154 0.012736 -0.013686 -0.004633 -0.009442 0.012005 0.004856 -0.002475 -0.009626 -0.014495 0.000830 -0.004646 -0.000945 0.011377 -0.013331 -0.006549 -0.018911 0.029454 0.014151 0.003796 -0.020303 -0.017246 -0.173322 0.080682 0.003577 0.034129 0.014978 0.022350 0.167795 -0.087316 -0.003853 0.017752 0.018577 0.022776 -0.270508 -0.103028 -0.190324 -0.003685 -0.000239 0.001699 0.233398 0.072315 -0.063355 -0.274737 -0.086678 0.078188 -0.018420 -0.004762 -0.018376 0.046536 -0.002968 -0.163561 0.047541 -0.083101 -0.015896 0.011177 -0.040313 0.088648 -0.045033 0.121357 -0.099451 0.204078 -0.584243 0.418858 -0.053888 0.058154 -0.012201 0.009297 -0.061023 0.006501 -0.008706 -0.059582 0.005882 0.007541 0.017673 0.014683 0.036761 -0.020554 -0.000620 -0.024960 0.016878 0.001288 -0.081168 -0.037724 -0.061764 -0.004740 0.012583 0.009732 0.008531 0.014443 0.013571 -0.014889 0.015061 0.004334 0.015180 -0.035037 -0.025257 -0.049485 0.021785 0.002448 0.157767 0.106230 0.138791 0.228674 -0.087269 0.020839 0.015714 0.016734 0.020627 -0.249929 -0.094965 -0.177198 0.026257 0.029429 -0.001416 0.453991 0.151332 -0.148437 -0.270539 -0.144195 0.132858 -0.002461 -0.068138 0.054359 0.242666 -0.248944 -0.363585 0.035401 0.056463 0.005940 -0.014297 0.011071 -0.033552 0.009773 -0.046276 0.043619 -0.097486 0.261541 -0.182073 0.026462 -0.014720 -0.014728 -0.027298 0.088485 -0.048007 0.026691 0.001482 0.005515 -0.027409 0.004873 -0.009448 0.058065 -0.049852 -0.018053 -0.030442 -0.013004 -0.017864 -0.220922 0.041091 -0.073113 -0.037673 -0.015808 -0.023333 0.040632 0.037464 0.045312 -0.012985 0.009930 0.001538 0.242436 0.037561 0.130914 0.332927 -0.162318 -0.035173 0.125444 0.089380 0.091253 0.249889 -0.056998 0.056350 0.002441 -0.002012 -0.000599 0.016393 0.004390 0.010412 0.056004 -0.031579 0.050290 0.208015 0.026263 0.081951 0.627810 0.140445 -0.098937 0.000500 0.021009 0.006270 -0.130352 0.177548 0.203589 -0.028145 -0.010458 0.001221 0.007035 -0.003250 0.006611 0.000341 0.010059 -0.017749 0.047404 -0.134365 0.087996 -0.016479 -0.003772 0.020798 0.027767 -0.049998 0.051963 -0.040889 0.045811 -0.013741 0.017174 -0.004070 -0.005085 -0.018271 -0.011308 -0.017987 0.017252 -0.002710 0.000568 -0.023132 0.011984 0.035307 -0.004593 -0.011416 -0.016704 0.010786 -0.002115 0.001649 -0.026803 0.008395 -0.002174 0.068270 0.034448 0.055797 0.070246 -0.039111 0.016115 0.006723 -0.018978 0.021971 -0.015376 0.008364 0.001611 0.011225 -0.003370 0.001145 0.066864 0.019625 0.043672 0.086343 0.004486 -0.083521 -0.429820 -0.122976 0.187300 -0.043071 0.047250 -0.100221 -0.122815 -0.002409 0.166162 0.180645 0.182638 -0.595200 0.018802 0.067559 0.011765 -0.005458 -0.008725 -0.014008 0.005543 -0.027583 -0.016848 0.055503 -0.198988 0.108371 -0.111919 -0.026427 0.144141 0.091981 -0.170252 0.218479 -0.185141 0.135331 -0.083355 0.058254 0.002485 -0.048927 -0.129887 -0.045480 -0.086946 0.091361 0.029137 0.061037 0.032176 0.088349 0.070400 0.034133 -0.071108 -0.038757 -0.018379 -0.004102 -0.010103 -0.254780 0.017404 -0.084247 0.355590 0.229440 0.320769 0.383302 -0.079039 0.068236 0.198531 0.014107 0.064270 -0.067118 0.009592 -0.019773 0.133516 -0.010160 0.041696 0.300791 0.053945 0.169591 -0.057794 -0.021770 -0.004744 0.259627 0.086255 -0.046462 -0.125534 -0.012640 -0.002556 0.033363 0.021834 -0.011849 0.111044 -0.281225 -0.008298 0.000365 0.017266 0.006484 0.000336 -0.003734 0.003993 0.001011 -0.004516 -0.006308 0.021017 -0.058932 0.035101 0.096078 -0.063092 0.003780 -0.051227 0.084533 -0.050042 0.107841 -0.035534 0.024073 -0.037414 -0.002224 -0.000531 -0.031374 -0.037032 -0.041868 0.050672 -0.077724 -0.042918 -0.035505 0.152669 0.089855 -0.089361 -0.006420 -0.037906 0.145331 -0.071081 0.002027 0.127835 0.074333 0.109320 0.055487 -0.004104 0.023546 -0.071150 -0.030351 -0.051896 -0.302308 -0.113887 -0.201421 -0.301690 0.145695 -0.010354 -0.090904 -0.007359 -0.041497 0.063975 0.063907 0.076795 -0.053891 -0.047874 -0.006704 0.407511 0.112562 -0.056850 0.009477 0.082579 -0.091556 0.023591 0.049018 0.035346 0.245502 -0.446377 -0.164015 -0.001002 0.059700 0.019263 0.000401 -0.009132 -0.000775 0.006374 -0.023018 -0.016258 0.057460 -0.170024 0.094383 0.098900 -0.111226 0.054971 -0.046639 0.110253 -0.013186 0.091250 0.013383 0.005909 -0.042929 -0.011825 -0.017534 -0.044775 -0.035793 -0.046948 0.065140 -0.029689 -0.002836 -0.049564 0.063694 0.041290 -0.068120 -0.028285 -0.046126 0.076798 -0.024462 0.009774 -0.000238 0.069343 0.056393 0.067134 0.020543 0.045729 -0.085734 0.018835 0.008535 0.088179 0.061544 0.069696 -0.022215 0.023400 0.008546 -0.017495 -0.013304 -0.018401 0.178295 0.071414 0.130676 0.066877 0.023333 -0.016134 0.064432 0.026162 0.017182 -0.435802 -0.164462 0.143616 -0.012965 -0.093157 -0.021446 -0.220773 0.557070 0.065492 0.027262 -0.118778 -0.042519 -0.004470 0.017161 0.002673 -0.015900 0.047040 0.033438 -0.117618 0.352702 -0.195997 -0.114305 0.136333 -0.073851 0.040609 -0.089971 0.006152 -0.058267 -0.038442 0.008183 0.035779 0.020717 0.021718 0.007022 -0.006454 -0.002601 -0.075376 0.028838 -0.005179 -0.003769 0.035197 0.023579 0.057847 0.033960 0.047751 0.015787 -0.018913 -0.007731 0.024252 -0.073380 -0.050492 0.228092 0.108007 0.171964 0.413255 -0.181352 0.005103 -0.388889 -0.208259 -0.297825 -0.317870 0.137417 -0.018307 0.005615 0.027869 0.025836 -0.312584 -0.108706 -0.214002 -0.011836 -0.008496 -0.014013 0.154700 0.052850 -0.015479 -0.087430 -0.027554 0.005738 -0.004312 -0.034969 0.009974 -0.031079 0.221315 -0.072769 0.011572 -0.033903 -0.012519 -0.001861 0.005270 -0.000256 -0.005149 0.013464 0.009720 -0.033189 0.102134 -0.055955 -0.048259 0.047605 -0.022409 0.020363 -0.023719 -0.000408 -0.053579 0.012246 -0.003402 0.016274 0.004259 0.006570 -0.011744 0.018394 0.011204 0.032912 -0.013144 0.003496 0.063993 -0.004407 -0.001299 0.008882 0.000070 0.005390 -0.020329 -0.004876 -0.011044 -0.019759 0.009608 0.000016 -0.123693 -0.036071 -0.077922 -0.158461 0.077943 -0.008270 0.037650 0.019208 0.013954 0.008022 -0.019777 -0.012544 0.005765 -0.006095 -0.003020 0.074677 0.023227 0.049270 -0.151887 -0.019558 0.002442 0.391356 0.134453 -0.214123 0.453064 0.167850 -0.174416 0.013443 -0.071692 0.047071 0.039518 0.518867 -0.330112 -0.006995 0.008990 0.001102 0.000799 0.000610 -0.002238 0.000897 -0.001179 0.002424 -0.002617 0.007802 -0.003946 -0.097353 0.097089 -0.069472 0.030857 0.011285 -0.018729 -0.083762 0.050724 0.001980 0.028958 -0.002440 0.013939 0.017659 0.008107 0.013461 -0.006941 -0.005786 -0.006475 0.016451 0.004010 -0.001091 0.017917 -0.003559 0.005656 -0.024691 0.002865 -0.007477 -0.008059 0.004657 0.000496 -0.059838 -0.033918 -0.048329 -0.022857 0.004059 -0.013506 0.007966 -0.007105 -0.012293 0.038070 -0.028954 -0.006641 0.001938 -0.003992 -0.002599 0.032400 0.008749 0.021485 -0.052315 -0.019558 -0.038034 0.056145 0.085247 0.282591 0.382482 -0.106351 -0.010594 -0.027963 0.103751 0.086734 0.184511 -0.300117 -0.145511 0.090451 -0.224642 -0.071817 -0.011720 0.025308 0.003495 -0.029916 0.078727 0.028099 -0.125360 0.368300 -0.193968 0.087624 -0.216036 0.331745 0.013834 -0.148970 0.231478 0.107710 -0.223073 -0.038202 -0.024528 0.040383 -0.045874 0.046564 -0.005458 0.013774 -0.037997 -0.011700 -0.023912 -0.000568 0.051235 0.035864 0.046718 -0.022198 0.000883 -0.060607 0.002064 -0.022021 -0.012003 0.038057 0.025856 -0.065830 -0.069595 -0.083794 0.075010 -0.067348 -0.023697 -0.020609 -0.067267 -0.057203 0.130776 -0.092912 -0.022375 0.001399 -0.013411 -0.010377 0.103918 0.031734 0.065856 -0.003468 -0.007413 -0.038638 0.038296 0.077252 0.295671 0.041013 -0.215562 0.096969 -0.010274 0.034590 0.014865 0.049115 -0.141069 -0.021717 0.014243 -0.028189 -0.028840 -0.000336 0.001017 0.019594 -0.004700 0.010940 0.001603 -0.015780 0.043170 -0.022114 -0.207017 0.219530 -0.324565 -0.018090 0.403630 -0.235483 -0.237930 0.490418 0.009405 0.028217 -0.086102 0.029898 0.083321 -0.007648 0.025404 -0.072868 -0.014600 -0.041191 0.006909 0.075065 0.058687 0.069235 -0.028988 0.005410 -0.087369 0.000605 -0.033706 -0.016302 0.058677 0.040917 -0.112615 -0.122933 -0.140369 0.149117 -0.126217 -0.036357 -0.036654 -0.097551 -0.088219 0.173614 -0.129992 -0.034466 -0.002959 -0.021246 -0.018689 0.161935 0.051131 0.107883 -0.021857 0.008964 -0.048662 0.172715 0.158197 0.332522 -0.058606 -0.367140 0.201068 0.015299 -0.055462 -0.041865 -0.080490 0.199395 0.021935 -0.033028 0.083204 0.042786 0.003060 -0.007982 -0.016140 0.011320 -0.029908 -0.008124 0.041575 -0.125170 0.064482 0.143433 -0.127093 0.194202 0.014433 -0.291712 0.114719 0.139210 -0.364713 -0.003350 -0.015385 0.061509 -0.010434 0.066080 -0.009072 0.018501 -0.059501 -0.008749 -0.030149 -0.013765 0.054063 0.044520 0.059245 -0.024067 0.003427 -0.074016 0.003533 -0.026004 -0.015833 0.045994 0.030964 -0.074983 -0.092665 -0.101605 0.146389 -0.098175 -0.033919 -0.009290 -0.071806 -0.061638 0.153053 -0.111100 -0.024637 0.000709 -0.016626 -0.013575 0.128239 0.039227 0.083097 0.036632 -0.036677 0.050918 -0.031064 -0.188223 -0.579737 -0.306817 0.524091 -0.285497 -0.003640 0.007998 0.024551 0.029166 -0.042331 -0.011656 0.015485 -0.041065 -0.015768 -0.001976 0.004600 0.001521 -0.005573 0.014993 0.005513 -0.022861 0.069501 -0.036372 0.023240 -0.028821 0.032843 0.001798 -0.022447 0.025521 0.006183 0.001419 -0.004993 -0.004451 0.005041 -0.007240 0.081760 0.081146 0.097530 0.113973 -0.087941 -0.028385 -0.175372 0.014355 -0.052639 0.088232 0.077438 0.093283 0.094715 -0.084772 -0.028851 -0.208248 0.013208 -0.069597 -0.373806 -0.142322 -0.257936 -0.404926 0.121421 -0.049241 -0.362900 -0.156428 -0.245650 -0.382373 0.123715 -0.052047 0.054874 -0.007700 0.014210 0.134732 0.025504 0.077100 0.050135 0.000251 0.013428 0.014933 -0.012200 0.019088 -0.019765 -0.008104 0.025737 0.001533 0.002603 -0.009767 -0.016095 -0.021618 0.044584 -0.001484 0.003586 0.005799 0.000057 0.000169 -0.002829 0.000408 -0.001770 -0.000965 0.004612 -0.010489 0.006654 -0.058765 0.002052 0.042351 0.010648 0.049555 0.017695 -0.014675 -0.040399 -0.009480 0.003664 -0.001432 -0.002305 0.012448 0.004972 0.008615 -0.005256 -0.000445 -0.003521 0.000617 -0.003045 0.000332 -0.004745 0.002942 0.000472 0.013341 -0.005139 0.001058 -0.013080 0.000578 -0.004587 -0.023053 -0.014055 -0.019608 -0.007555 -0.008017 0.000885 -0.007601 0.002040 0.001047 -0.027360 0.013658 0.000272 0.001555 -0.000509 0.000134 0.006717 0.002011 0.005165 0.000245 -0.001283 -0.006128 -0.009784 0.002077 0.025066 0.024118 -0.005046 -0.007019 -0.019225 0.002376 0.019915 0.001614 0.021826 -0.042368 0.004657 -0.005674 -0.019458 -0.001541 -0.000933 0.011915 -0.001278 0.003837 0.001191 -0.006311 0.017159 -0.008228 0.513061 0.019141 -0.458163 -0.032452 -0.514126 -0.031198 0.266047 0.409022 0.107860 -0.039314 0.005216 0.018387 0.061511 0.140323 0.137015 0.068295 -0.108752 -0.065461 -0.022137 0.197661 0.149518 -0.098364 -0.131157 -0.139293 -0.027531 0.122542 0.085292 0.031350 -0.246266 -0.183683 -0.222789 0.007204 -0.083098 -0.176833 -0.027708 -0.063557 0.256705 0.051427 0.126331 0.111454 0.079825 0.102038 0.008079 0.031517 0.029254 -0.245025 -0.083650 -0.166740 0.004657 -0.018205 -0.015258 0.084519 0.016088 0.004657 -0.139438 0.006513 -0.015539 0.003898 0.000533 0.009369 0.013341 -0.010702 0.000608 0.000586 -0.006198 -0.001097 0.001540 0.001330 -0.000759 -0.000660 0.002036 0.000737 -0.003730 0.006725 -0.003674 0.174879 -0.104869 0.101639 -0.031267 -0.122055 -0.396728 -0.379903 -0.068407 -0.062182 0.010837 0.020582 0.019680 -0.005433 -0.022554 -0.020505 -0.014975 0.021409 0.010103 0.007391 -0.035717 -0.022767 0.005821 0.021025 0.018435 0.019253 -0.024419 -0.011470 -0.014038 0.044121 0.029513 0.030319 -0.005802 0.006138 0.026087 -0.006949 0.020055 -0.036432 0.000312 -0.012480 -0.032875 -0.002932 -0.014773 -0.000115 -0.005432 -0.004476 0.044068 0.015209 0.029482 -0.000620 0.002285 0.001183 -0.020530 -0.006920 -0.002510 0.035350 0.006773 -0.006398 0.004408 0.008071 0.013070 0.020891 -0.032756 0.006718 0.000824 -0.007375 0.003899 0.002190 0.002634 -0.004629 -0.000956 0.001538 0.000201 -0.000860 0.003026 -0.001054 0.289288 -0.166982 0.151622 -0.058794 -0.206416 -0.643053 -0.604034 -0.092792 -0.098712 0.018597 0.031278 0.032424 -0.233753 -0.021646 -0.107630 0.293412 -0.101687 0.032873 -0.196351 0.057994 -0.029489 0.244773 0.033306 0.121640 -0.302952 0.089279 -0.048277 0.208796 -0.056792 0.034928 0.131392 0.181736 0.200779 -0.335169 0.168615 0.016001 -0.169221 -0.198993 -0.210986 0.298252 -0.203179 -0.038320 -0.023623 0.009407 -0.000698 -0.106487 -0.032918 -0.072664 0.025878 -0.006340 0.003979 0.053627 0.010273 0.023324 -0.019529 -0.008501 0.008083 0.000978 0.002777 -0.000164 -0.001023 0.004504 0.004648 -0.000952 0.001473 -0.001396 0.000344 -0.000399 0.001133 0.000165 -0.000318 0.000137 -0.002573 -0.000788 -0.000191 0.146081 -0.035069 -0.035214 0.000008 -0.184682 -0.084863 -0.043110 0.024941 0.000076 -0.004316 0.011200 0.007429 -0.001287 -0.000069 -0.000651 0.000456 -0.000834 -0.000966 0.001443 0.003112 0.003369 0.000420 -0.002615 -0.002773 -0.003241 0.002502 0.000031 0.002508 -0.001003 0.000525 -0.000378 -0.000117 -0.000147 0.001941 -0.003284 0.000842 0.015868 0.004715 0.015984 0.003550 -0.002266 0.003246 -0.001055 0.000098 -0.000476 -0.001083 -0.000249 0.000804 0.003292 -0.001349 -0.006474 0.005826 -0.004802 -0.007800 -0.017632 -0.009602 -0.009656 -0.003018 -0.012926 -0.043226 0.023594 -0.038809 -0.067866 0.098700 -0.265307 0.662817 -0.055514 0.149045 -0.416606 -0.022087 0.061430 -0.056327 0.099403 -0.274124 0.186367 0.007931 0.104965 -0.181236 -0.007333 0.011393 -0.002504 0.013205 0.315659 -0.004136 -0.005711 -0.009161 0.020141 -0.000157 -0.000116 -0.000125 0.001099 0.001502 0.001668 0.001015 -0.000546 0.000053 0.000502 -0.000111 0.000112 -0.000057 -0.000041 -0.000039 0.000103 0.000023 0.000110 -0.001949 0.002147 0.000703 -0.008459 -0.016243 -0.018031 -0.003033 0.003617 0.001078 -0.000219 0.000044 -0.000241 -0.000040 0.000002 -0.000034 -0.000125 0.000158 0.000077 -0.019541 0.000011 -0.068077 0.163855 -0.459490 0.085774 0.056508 0.460260 0.713640 0.011530 0.002723 0.005450 -0.136917 -0.032204 -0.067418 -0.000049 0.000204 0.000754 -0.000004 0.000076 -0.000139 -0.000067 0.000003 0.000138 -0.000129 -0.000452 0.000203 0.000747 0.000233 -0.000876 0.009471 0.000089 -0.002375 -0.001039 -0.000507 0.005794 -0.000774 -0.000175 -0.000123 -0.000057 -0.000060 -0.000057 0.000250 0.000276 0.000377 0.000706 0.000061 0.000019 0.000132 -0.000084 0.000020 -0.000014 -0.000015 -0.000011 0.000063 0.000041 0.000066 -0.000418 0.000487 0.000128 -0.001728 -0.003601 -0.004016 -0.001241 0.001365 0.000424 -0.000029 0.000039 -0.000034 -0.000034 -0.000012 -0.000027 -0.000071 0.000155 0.000108 -0.003668 0.002671 -0.010818 0.033946 -0.098322 0.020963 0.008234 0.065016 0.103308 -0.073794 -0.018072 -0.034414 0.868414 0.221351 0.403698 -0.000610 0.000216 -0.000464 -0.000094 -0.000225 0.000497 0.000050 -0.000116 -0.000132 -0.000304 0.000381 0.002340 -0.005143 -0.001381 -0.006947 -0.017643 -0.005721 0.005505 0.001579 0.000509 -0.007979 0.002379 0.000263 0.001202 0.000263 -0.000685 -0.000391 0.001205 0.003225 0.003459 0.000060 -0.000485 -0.000431 -0.001146 0.001287 0.000303 0.000257 -0.000219 -0.000110 -0.000055 0.000188 0.000122 -0.007064 0.007938 0.003645 -0.015802 -0.035999 -0.038254 0.012301 -0.013261 -0.004183 0.000903 0.002100 0.002145 0.000007 0.000002 0.000004 -0.000060 -0.000051 -0.000008 0.021424 -0.087861 -0.020017 -0.290627 0.793131 -0.174608 0.037050 0.257849 0.418456 -0.002109 -0.001604 -0.000679 0.026048 0.007395 0.013096 -0.000166 -0.000591 0.000588 -0.000007 0.000147 -0.000091 0.000092 0.000119 -0.000231 0.000522 0.000185 -0.001515 0.000394 0.001372 -0.000571 -0.002929 0.000153 -0.000931 -0.000676 0.000531 0.000808 0.000242 0.000578 -0.000620 -0.012002 0.016295 0.008695 -0.021833 -0.056268 -0.056996 -0.002954 0.001827 0.000240 0.001083 0.000035 0.000359 -0.000373 -0.000582 -0.000564 -0.000476 -0.000111 -0.000325 0.169231 -0.190143 -0.090211 0.259717 0.642168 0.660098 -0.004449 0.004003 0.001415 0.003240 0.007895 0.007367 -0.000016 -0.000063 -0.000070 0.001811 0.000371 0.001008 0.000749 -0.004922 -0.002907 -0.010792 0.031964 -0.006268 0.006196 0.026306 0.042830 -0.000170 -0.000065 -0.000064 0.003151 0.001099 0.001131 -0.000045 -0.000090 0.000047 0.000008 0.000035 0.000004 0.000008 0.000032 -0.000011 -0.000057 0.000006 -0.000014 0.000324 -0.001721 -0.001542 0.010092 -0.001860 -0.003619 -0.001742 -0.000350 0.005555 -0.000539 0.000222 -0.000194 -0.007461 0.007771 0.003521 0.002008 0.001561 0.002010 -0.001576 -0.002034 -0.002258 -0.051534 0.060789 0.025249 -0.002894 -0.013879 -0.011711 -0.000557 -0.000063 -0.000296 0.082483 -0.090358 -0.042342 -0.009663 -0.021077 -0.021872 0.596673 -0.695950 -0.286172 0.067501 0.159398 0.148123 -0.000021 0.000008 -0.000010 0.000660 0.000401 0.000540 -0.000402 0.001799 0.000315 0.007670 -0.016317 0.004480 0.000822 -0.003347 -0.004196 -0.000007 0.000111 -0.000042 0.000817 0.000014 0.000087 0.000144 0.000120 0.000093 -0.000044 -0.000038 -0.000068 -0.000202 -0.000060 -0.000021 -0.000446 -0.000070 0.000885 -0.000470 -0.001061 -0.000533 0.013826 -0.000132 -0.001026 0.000381 0.000659 -0.002182 -0.001002 -0.000008 0.000333 0.054037 -0.058538 -0.027101 -0.009429 -0.015633 -0.017177 -0.001332 0.000950 0.000145 -0.006832 0.008077 0.003366 -0.001181 -0.002684 -0.002516 0.002277 0.002703 0.002986 -0.606048 0.663043 0.310614 0.075508 0.176512 0.183022 0.078058 -0.091513 -0.037761 0.014887 0.032283 0.030431 -0.000360 -0.000282 -0.000363 -0.006348 0.001448 -0.001056 -0.000027 -0.000231 -0.000368 0.001152 -0.000781 0.000564 0.001105 0.002651 0.004429 -0.000031 0.000035 -0.000027 0.000720 0.000192 0.000154 0.000005 0.000030 0.000057 -0.000004 -0.000007 -0.000029 -0.000022 -0.000011 -0.000002 -0.000054 -0.000066 -0.000001 -0.000157 -0.001157 -0.000686 0.014330 -0.000847 -0.001752 -0.000344 0.000057 0.001174 -0.000962 0.000067 0.000096 -0.000612 0.000889 0.000497 0.000537 0.001089 0.001105 0.000554 0.000864 0.000958 0.016219 -0.014289 -0.004341 -0.027533 -0.059272 -0.055977 -0.003065 0.002501 0.000807 0.007646 -0.008605 -0.004137 -0.004281 -0.010890 -0.011076 -0.145095 0.164477 0.066046 0.300858 0.672445 0.629682 0.000343 -0.000253 -0.000077 0.002038 0.000259 0.000999 0.000027 -0.000118 0.000008 -0.000834 0.000993 -0.000458 -0.000691 -0.000424 -0.000973 -0.000008 0.000001 -0.000007 -0.000353 -0.000133 0.000018 -0.000025 -0.000004 -0.000073 0.000015 0.000002 0.000040 0.000042 -0.000001 0.000004 0.000079 0.000078 -0.000107 -0.000141 -0.000074 -0.000027 -0.001053 0.000316 0.000202 -0.000282 -0.000218 0.001690 0.000104 0.000008 -0.000134 0.001125 -0.000234 0.000240 -0.000397 -0.001681 -0.000784 -0.001387 0.000102 -0.000092 -0.000034 0.000985 0.000719 -0.000616 0.000065 -0.000236 0.000456 -0.000490 -0.000253 -0.004739 0.004780 0.002269 0.003479 0.010266 0.007775 0.006337 -0.008408 -0.003587 0.000925 0.001999 0.002022 -0.000129 -0.000046 -0.000085 -0.000587 0.000995 0.000641 -0.000091 0.000835 -0.000775 0.004770 -0.002817 -0.000747 0.000421 0.002932 0.006457 0.002906 -0.003344 0.002698 -0.017500 0.003784 -0.010671 -0.000095 0.000155 -0.001883 -0.000066 -0.000186 0.001044 0.000066 0.000009 0.000467 -0.000772 0.001670 -0.000042 0.064727 0.138654 0.072917 -0.814952 -0.018938 0.096832 0.104813 0.029639 -0.530903 0.045546 -0.008494 0.024379 0.000808 -0.000217 0.000163 -0.000219 -0.000992 -0.000064 -0.001137 -0.000073 0.000003 -0.000080 0.000998 0.000707 -0.000510 0.000182 -0.000121 0.000530 -0.000381 -0.000139 -0.003329 0.003350 0.001543 0.000942 0.002604 -0.000096 0.005880 -0.008075 -0.003085 -0.000031 0.000243 0.000452 -0.000189 -0.000082 -0.000147 -0.000759 0.001401 0.000994 0.000211 -0.000173 -0.000106 0.000489 -0.002614 0.001738 0.000835 -0.000391 -0.001522 0.000233 0.001092 -0.000463 -0.002342 -0.000727 -0.004361 0.000387 -0.001147 0.002749 -0.000075 0.001166 -0.001594 -0.000211 0.000644 -0.000854 -0.000480 -0.000090 0.004237 -0.017136 -0.042796 -0.021028 -0.543107 -0.005225 0.056090 -0.150748 -0.055254 0.816657 0.051431 0.006378 -0.060662 0.000113 -0.000008 0.000047 -0.000052 -0.000162 -0.000004 -0.000178 0.000005 0.000039 0.000053 0.000044 0.000077 -0.000099 0.000048 -0.000004 0.000126 -0.000079 -0.000025 -0.000382 0.000270 0.000115 0.000067 0.000118 -0.000309 0.000117 -0.000037 -0.000075 0.000014 0.000035 0.000013 -0.000028 -0.000046 -0.000050 -0.000528 0.000778 0.000468 0.000177 -0.000078 -0.000074 -0.000204 0.000393 0.000183 -0.000196 0.000426 0.000759 0.000782 -0.000563 0.000497 -0.008291 -0.003042 -0.004820 0.000113 -0.000269 -0.000012 0.000024 -0.000198 0.000026 0.000052 -0.000082 0.000102 0.000288 -0.000868 -0.001632 -0.358987 -0.805841 -0.439385 -0.094319 0.006908 0.017584 0.027166 0.016598 -0.112233 0.030380 0.057721 0.038259 0.000022 0.000017 0.000021 -0.000007 0.000020 0.000004 -0.000010 0.000018 -0.000020 -0.000005 0.000070 0.000018 0.000019 -0.000040 -0.000029 -0.000076 0.000000 -0.000022 0.000078 -0.000060 -0.000007 -0.000043 0.000030 0.000064 -0.000040 -0.000918 -0.000314 0.000081 0.000035 0.000039 -0.000039 0.000111 0.000080 0.001355 -0.001792 -0.001005 -0.000035 0.000004 -0.000024 0.000430 -0.000977 0.000383 0.000428 -0.000355 -0.000352 -0.000084 -0.000299 -0.000373 0.001962 -0.000208 0.000795 -0.000691 0.001999 0.001095 0.000240 -0.000733 0.000695 -0.012792 0.032995 0.050450 0.205452 -0.530159 -0.820296 0.000774 0.001299 0.000449 -0.002271 -0.000238 0.000369 -0.000814 0.001217 0.002773 0.000200 -0.000217 -0.000282 0.001017 -0.000421 0.000020 -0.000223 0.000072 -0.000028 0.000183 0.000050 0.000066 -0.000236 0.000051 -0.000057 0.000724 -0.000510 -0.000129 -0.000446 0.001682 0.001230 -0.003074 0.001712 0.000460 0.000582 0.000395 0.000543 0.000226 -0.000473 -0.000248 0.000293 -0.000422 -0.000110 -0.037544 0.044017 0.023379 0.585922 -0.710343 -0.384943 -0.000075 -0.000018 -0.000031 0.000263 -0.000038 0.000069 0.000140 0.000107 0.000118 0.000020 -0.000003 0.000003 0.000158 0.000116 -0.000109 -0.000020 0.000027 0.000048 0.000006 -0.000003 -0.000027 0.000042 -0.000091 -0.000126 -0.000578 0.001321 0.001971 -0.000209 -0.000779 -0.000367 -0.001951 -0.000733 0.000488 -0.000099 -0.000057 0.000603 0.000160 0.000068 -0.000035 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 39.45 60.47 78.16 97.85 179.66 207.81 227.34 324.08 349.47 373.00 393.94 424.98 430.24 434.61 492.93 524.99 564.41 613.20 650.25 658.09 735.71 746.28 775.68 846.44 859.32 871.17 890.33 921.61 965.50 980.14 1019.13 1039.94 1049.26 1110.56 1132.08 1147.66 1192.28 1207.74 1210.61 1227.64 1250.42 1317.29 1335.95 1345.35 1365.63 1372.01 1390.06 1459.89 1494.09 1499.87 1500.31 1581.19 1616.03 1669.47 1676.03 1700.75 1846.02 3100.01 3128.48 3157.05 3178.48 3202.97 3208.12 3235.34 3293.09 3330.53 3554.32 3778.11 3874.19 0.001293 0.000340 0.000388 0.005465 0.002459 0.003219 0.002194 0.002376 0.003028 0.001796 0.017630 0.000960 0.000102 0.001009 0.004697 0.005431 0.001684 0.002302 0.006179 0.000081 0.002600 0.002857 0.001527 0.000956 0.001110 0.000833 0.002134 0.001185 0.001549 0.000080 0.000011 0.000005 0.000757 0.003547 0.000742 0.002215 0.008025 0.000633 0.006682 0.002455 0.000258 0.000719 0.002731 0.003203 0.001427 0.001783 0.000646 0.005572 0.004443 0.001962 0.000613 0.004411 0.000258 0.000887 0.000186 0.003223 0.008165 0.000128 0.000033 0.000007 0.000116 0.000091 0.000044 0.000001 0.002800 0.005992 0.002305 0.002971 0.001996 0.029485 0.014372 0.014750 -0.014439 0.005134 -0.010267 0.013843 0.010654 0.009076 -0.068805 -0.012412 -0.024017 -0.046175 -0.007640 0.016375 -0.044876 -0.034317 0.005252 -0.010036 0.037407 0.026352 -0.016299 0.030129 0.034682 -0.045646 -0.029403 -0.008935 0.028478 -0.013446 -0.028355 0.039140 0.079857 -0.098596 -0.029634 0.008931 0.001279 0.002147 0.007534 -0.006351 0.031087 -0.001755 0.006300 -0.035202 0.058570 0.005243 0.035262 0.061171 -0.021115 0.036974 -0.008528 0.015636 -0.030144 0.004902 0.037001 0.070825 0.033545 -0.006099 -0.006835 -0.005775 0.001018 0.049860 -0.009735 -0.004398 -0.052573 -0.006625 -0.007017 -0.010188 0.037702 0.001370 0.005694 -0.003577 -0.030175 -0.012798 -0.026428 0.015735 -0.001482 -0.004715 0.028436 -0.024876 -0.033011 0.020621 0.032613 -0.003127 -0.010578 -0.033162 0.011273 0.017940 -0.006533 -0.006070 -0.000984 -0.001647 0.002660 -0.001035 -0.000063 0.001636 0.001351 -0.006364 0.026712 -0.001655 -0.059259 0.004102 0.004301 0.000162 -0.009200 0.025648 -0.034603 0.026875 0.017173 -0.084106 0.007665 -0.029880 -0.023828 0.008077 -0.000207 0.003802 -0.081157 -0.009029 -0.029983 0.034726 -0.018710 0.007658 -0.006389 0.012581 -0.025864 -0.000963 0.007012 -0.048393 -0.005330 -0.018992 0.054712 -0.000243 0.014493 0.031085 -0.020688 -0.005714 -0.035927 -0.009013 -0.020285 -0.021165 0.011133 -0.008617 0.021519 -0.071115 0.007201 0.015806 0.060815 -0.022234 0.006048 -0.032827 0.029117 0.012997 -0.010711 -0.018140 -0.063580 -0.000239 -0.019196 -0.000527 0.004544 -0.015391 -0.021014 -0.008908 -0.019132 -0.003232 -0.008467 -0.010172 0.054496 -0.004575 0.015241 0.012735 -0.048459 0.075196 -0.005119 -0.004579 -0.009013 -0.004542 0.000986 0.003318 0.001075 0.000121 -0.002440 -0.007733 -0.004568 -0.005957 -0.007562 0.005588 0.001718 0.006410 -0.001652 -0.000172 -0.000430 0.000617 0.000578 -0.046754 -0.021270 -0.012724 -0.059789 -0.007624 0.048576 -0.020859 -0.039492 -0.017625 0.021410 -0.039579 -0.030752 0.040644 -0.018364 -0.002529 170.1012 AuxInfo=1/0/N:2,4,1,5,13,3,6,16,18,25,11,20,19/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,6.3,7.3,9.3,10.4,13.1/rA:25nC3C3C3C3C3C3HHHHOHCHHCHC3O1OHHHHN4/rB:s1;s2;s3;s4;s1s5;s1;s2;s4;s5;s6;s11;s3;s13;s13;s13;s16;s16;s18;s18;s20;;;;s16s22s23s24;/rC:2.5417,-.654,-.6509;1.2395,-.6241,-1.1367;.3333,.3481,-.7181;.7688,1.3056,.2039;2.0585,1.2891,.6942;2.9544,.3041,.2697;3.2361,-1.409,-1.0031;.9432,-1.3541,-1.8852;.0953,2.0929,.5252;2.4016,2.037,1.3977;4.2004,.3465,.7856;4.7538,-.3417,.4069;-1.0955,.3231,-1.202;-1.4705,1.3229,-1.4207;-1.175,-.2579,-2.1229;-2.0331,-.2984,-.1517;-3.0058,-.5352,-.5864;-2.282,.567,1.0832;-2.1247,.1395,2.1981;-2.7112,1.7759,.7664;-2.9042,2.2717,1.5762;-1.8011,-2.4053,-.0524;-.4167,-1.5211,.2657;-1.6328,-1.5774,1.4083;-1.4396,-1.5657,.3942; -630.82236860674129 817.14717719327166 -1447.96954492385066 -2463.87485367888303 1015.90530875503237 -1259.13666143236833 628.31429282562692 2.00399175350577 47.999989828903 47.999989828903 95.999979657806 -55.788623797269 -4.060530589731 -59.849154387001 -0.052527671 -0.051462690 -0.051695290 -0.051891582 -0.051923205 -0.051831074 -0.051826783 -0.051842354 -0.051846050 -0.051850105 -0.051850887 -0.051852799 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -528.8432 -527.4213 -526.8712 -400.1378 -288.0706 -286.4217 -284.8469 -284.2971 -283.6154 -283.5343 -283.3698 -283.1641 -283.0039 -38.7647 -36.4752 -35.8787 -35.6156 -31.0633 -29.8830 -28.0169 -27.7609 -26.1345 -24.8983 -24.3337 -24.1224 -23.7425 -23.1528 -21.7216 -21.5327 -21.1180 -20.9314 -20.4387 -19.8458 -19.4544 -18.7277 -18.6328 -18.2425 -18.1597 -17.9488 -17.8415 -16.8544 -16.5106 -16.3226 -15.8906 -15.6333 -15.4522 -13.3050 -12.2135 -2.4220 -2.1561 -1.7899 -1.4228 -0.7648 -0.3772 0.1056 0.3010 0.5393 0.6189 0.8870 1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N -0.121567 -0.279298 0.007516 -0.143660 -0.121182 0.188363 0.124076 0.160313 0.134202 0.148280 -0.262233 0.219584 -0.183724 0.152621 0.140657 -0.006390 0.155648 0.289564 -0.293138 -0.234934 0.261110 0.235699 0.235652 0.232849 -0.040008 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N -0.012243 -0.023288 -0.119990 0.002671 0.022060 -0.187341 0.024214 0.025023 0.027989 0.035133 0.378723 -0.098746 0.006178 0.048778 0.039915 -0.032703 0.046727 -0.436760 0.147828 0.412135 -0.058373 0.048415 0.046102 0.035650 0.621904 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C C C C C C H H H H O H C H H C H C O O H H H H N 6.1216 6.2793 5.9925 6.1437 6.1212 5.8116 0.8759 0.8397 0.8658 0.8517 8.2622 0.7804 6.1837 0.8474 0.8593 6.0064 0.8444 5.7104 8.2931 8.2349 0.7389 0.7643 0.7643 0.7672 7.0400 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 8.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 8.0000 8.0000 1.0000 1.0000 1.0000 1.0000 7.0000 -0.1216 -0.2793 0.0075 -0.1437 -0.1212 0.1884 0.1241 0.1603 0.1342 0.1483 -0.2622 0.2196 -0.1837 0.1526 0.1407 -0.0064 0.1556 0.2896 -0.2931 -0.2349 0.2611 0.2357 0.2357 0.2328 -0.0400 3.9541 4.0076 3.5882 4.0392 3.9976 4.1170 1.0051 0.9994 1.0155 1.0081 2.2424 1.0241 3.8412 1.0105 1.0006 3.8832 1.0035 4.3389 2.1927 2.2840 0.9991 0.9741 1.0129 1.0158 3.6134 3.9541 4.0076 3.5882 4.0392 3.9976 4.1170 1.0051 0.9994 1.0155 1.0081 2.2424 1.0241 3.8412 1.0105 1.0006 3.8832 1.0035 4.3389 2.1927 2.2840 0.9991 0.9741 1.0129 1.0158 3.6134 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 1.4872 1.3965 0.9452 1.3183 0.9573 1.3787 0.8356 1.5400 0.9462 1.3814 0.9519 1.1899 0.9866 1.0017 1.0097 0.9271 0.9812 0.9664 0.8848 1.9995 1.3018 0.9379 0.9386 0.9014 0.8875 0 1 0 5 0 6 1 2 1 7 2 3 2 12 3 4 3 8 4 5 4 9 5 10 10 11 12 13 12 14 12 15 15 16 15 17 15 24 17 18 17 19 19 20 21 24 22 24 23 24 -0.051852039 -630.879254280939 -2.333316806 0.336152779 -1.997164028 -4.237329431 2.234801990 -2.002527442 -4.114953008 3.463616225 -0.651336784 SCF 2.902243944 7.376917853 298.15 1.00 182.20 -630.87925428 0.21076487 0.00911788 0.00141627 0.00141627 -630.65653899 0.01195043 0.21076487 0.22271529 -630.65653899 0.00094421 -630.65559478 0.00000000 0.01553423 0.01487825 0.01972090 0.05013339 -630.65559478 -0.05013339 -630.70572817 0.17352611