Orca 5.0.4 RELEASE 1 2 3 4 7s4p1d 14s9p5d1f 7s4p1d 4s1p 3s2p1d 5s3p2d1f 3s2p1d 2s1p 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C Ti C C C N N H H H H H H H H H H H H 1 1 1 1 1 2 1 1 1 3 3 4 4 4 4 4 4 4 4 4 4 4 4 171.966 AuxInfo=1/0/N:1,2,5,3,4;7,9,8;11;10;6/E:(1,2,3,4,5);(1,2);;;/CRV:1.3,2.3,3.3,4.3,5.3;1.3,2.3,3.2;1-1;1.1;/rA:23nCCC3CCTiCC2C3N2NHHHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s4s5;s6;s7;s8;s6;s6;s3;s2;s4;s5;s1;s7;s10;s11;s11;s7;s9;s9;/rC:.6719,-1.5979,-.2482;.8218,-1.3748,1.139;1.7588,-.3268,1.3235;2.1791,.1041,.0451;1.5022,-.6741,-.9283;-.1665,.5955,.1251;-1.6891,.461,1.9331;-2.368,-.1933,.9779;-3.218,-1.0147,.4059;-1.3642,.6423,-1.073;.2868,2.412,.4421;2.0816,.0858,2.2788;.3066,-1.9241,1.9272;2.8781,.9127,-.1633;1.594,-.5719,-2.0085;.008,-2.3241,-.7132;-1.1268,-.0946,2.6882;-2.0889,.5017,-1.7749;1.1157,2.7677,.91;-.2183,3.1843,.0175;-1.8161,1.5376,2.0759;-4.0733,-1.3714,.9904;-3.105,-1.3587,-.6219;/R:/0/N:9,8,7,3,2,4,1,5,10,11,6/E:(5,6)(7,8)/CRV:1.3,2.2,4.3,9.2,11.7 Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 0.804000 XMuePBE 0.219520 Correlation PBE PBE beta parameter CBetaPBE 0.066725 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.250000 ScalDFX 0.750000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF NL short-range parameter 6.900000 RI-approximation to the Coulomb term is turned on functions 711 RIJ-COSX (HFX calculated with COS-X)) on IntName reaction-3_dneb_freq HFTyp RHF Charge 0 Mult 1 NEL 96 Dim 231 ENuc 833.3720408877 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off 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 TolErr 5.000e-07 Smallest eigenvalue 6.147e-04 Time for diagonalization 0.017 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.007 sec Total time needed 0.026 sec 0 1 PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 EnGrad Freq pal8 maxcore 4000 0.00 0.00 0.00 0.00 0.00 0.00 -157.93 34.25 59.48 148.73 163.39 167.08 202.28 233.72 266.29 281.99 331.61 356.90 372.10 405.04 454.57 482.79 523.62 526.92 586.31 620.61 627.31 690.47 728.38 774.34 797.77 803.09 807.84 827.91 849.60 852.25 877.97 911.98 921.45 961.16 983.63 1000.84 1034.47 1038.64 1072.82 1076.19 1087.23 1172.88 1277.30 1379.57 1441.64 1444.37 1449.98 1489.46 1495.32 1499.14 1973.98 3158.52 3163.06 3244.27 3254.77 3263.36 3265.23 3272.03 3282.60 3283.86 3577.39 3614.02 3678.54 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000934 0.010918 0.010236 0.017399 0.004088 0.008412 0.020440 0.004127 -0.000719 0.001458 0.011631 -0.002585 -0.018153 0.019767 0.003249 0.006872 -0.008472 0.083117 0.086215 -0.039736 -0.138083 0.125455 0.138338 -0.358660 0.007617 0.031014 -0.068817 -0.215854 -0.101483 0.238041 0.030738 0.001124 -0.079214 0.025405 0.002993 -0.002235 0.025034 0.006919 0.013704 -0.001870 0.012426 -0.010238 -0.038889 0.031615 0.002061 -0.017695 0.021618 0.017538 -0.253929 -0.233727 -0.030378 -0.387541 -0.131706 0.425009 0.075455 0.041357 -0.190760 -0.074151 -0.026103 -0.004321 0.129106 -0.056078 0.018618 0.146156 0.093402 0.170122 -0.235030 -0.112156 -0.048378 0.056564 0.042780 -0.161601 -0.111441 -0.089100 -0.124562 -0.128643 -0.106010 0.088359 0.021936 0.016773 0.182793 0.127658 0.117323 0.026788 -0.003421 -0.003648 -0.027295 0.062359 0.071268 0.018458 0.036243 0.031151 0.061859 0.016815 -0.004905 0.141105 -0.045653 -0.073534 0.009699 -0.012664 0.014975 -0.124787 -0.238006 -0.201676 0.166768 -0.211591 -0.160737 -0.239678 0.048676 0.034462 0.341298 0.251947 0.225312 0.047162 0.107761 0.092620 -0.311854 0.084592 0.100703 0.023945 -0.071613 -0.121864 0.046275 -0.018666 0.048076 -0.139459 -0.028465 -0.010850 -0.152808 0.059482 0.075329 -0.016044 0.046841 0.017488 0.198653 -0.029053 -0.056452 0.153319 -0.139276 0.009738 0.006570 -0.125562 0.009343 0.005397 -0.056595 -0.051642 -0.001376 -0.030142 -0.085376 -0.004175 -0.080954 -0.048584 0.000693 0.004244 0.063116 0.002248 -0.038029 0.107280 -0.041453 0.096442 -0.054300 -0.029580 0.273418 -0.262657 0.003223 -0.027221 0.092515 0.028845 0.083543 0.040889 0.012132 -0.030690 -0.065950 -0.003973 -0.166870 0.051376 0.007724 0.022401 -0.132003 -0.009302 -0.076137 -0.060403 -0.000074 -0.185805 0.048429 0.012883 -0.008587 0.237627 0.032942 -0.058934 0.071395 0.065827 0.103880 0.000732 0.007046 0.104411 0.069962 0.039691 -0.183174 0.101710 -0.130582 0.312887 -0.375490 -0.008003 0.382168 -0.317745 0.032905 0.097940 -0.039485 0.031714 0.023193 0.028700 0.030486 -0.029900 0.074388 0.025978 0.018711 0.031057 0.028377 0.098267 -0.038929 0.029429 -0.037392 -0.065795 -0.106760 0.033362 0.087747 -0.028475 0.026504 0.067901 -0.011555 0.043818 0.006795 0.045948 -0.155552 0.140059 0.009783 0.014071 -0.131875 0.153766 -0.105379 0.141411 0.022539 0.005083 0.044915 0.029955 -0.003020 0.049321 0.026002 0.161861 -0.096636 0.028819 0.160960 -0.098476 0.032691 0.058752 0.103196 -0.036522 -0.391469 0.489730 0.183902 0.032588 -0.241553 0.202390 -0.036478 -0.030618 0.398314 0.030498 0.085351 -0.033928 0.087075 -0.026974 0.088718 0.025939 -0.006486 0.047684 0.043227 -0.003595 -0.077435 0.062494 -0.034457 -0.069978 0.063696 -0.033918 -0.066587 0.018163 0.014952 -0.065409 0.008896 0.028226 -0.069687 0.013636 -0.044735 0.058461 -0.170929 0.276860 -0.066652 -0.062397 0.126693 -0.043195 0.014914 -0.021963 0.050765 0.062324 -0.127949 0.005123 -0.074100 -0.035835 0.145483 0.087107 -0.060424 -0.063179 0.085229 -0.055690 -0.069172 -0.005654 0.037018 -0.060281 -0.033309 0.072387 -0.069106 0.041457 0.003097 -0.085242 -0.271286 0.383488 0.091253 0.148462 -0.277391 -0.053760 -0.116856 -0.019834 0.209636 -0.103942 -0.033384 0.184438 -0.140090 0.305133 -0.270141 -0.031024 0.079805 0.045153 0.116960 -0.236327 0.133265 -0.057004 -0.041506 0.018318 -0.078631 0.000852 0.011575 -0.048722 -0.023866 -0.001074 -0.004570 -0.080917 -0.007309 -0.009189 -0.096189 0.004945 0.036392 0.035148 -0.040025 0.167106 -0.019949 -0.004861 0.147807 0.045666 -0.043432 0.068560 0.082786 0.017755 0.036809 -0.079045 -0.048388 -0.279895 0.084174 0.142413 -0.054801 -0.004818 -0.007299 -0.118169 0.045299 0.016263 0.032198 -0.113913 -0.015437 0.022602 -0.144070 0.002994 -0.080494 -0.028014 0.031080 0.185554 -0.071767 -0.059293 0.062807 -0.226646 -0.045500 -0.427097 0.199047 0.318471 -0.409186 0.038346 0.212540 0.158889 -0.035710 0.087399 0.127079 0.085399 0.104866 -0.059514 0.101614 -0.002031 0.046514 -0.058671 0.005522 0.089501 -0.102379 0.008407 0.073187 -0.087846 0.008608 0.014727 -0.030820 0.008759 0.000184 -0.016964 0.005548 -0.016781 -0.027874 0.024955 -0.054522 0.059428 0.087258 0.001711 0.070835 0.045007 0.122433 0.055488 -0.110844 -0.015768 0.137881 0.053123 -0.175202 0.025381 -0.148531 0.115246 -0.126487 0.011430 0.136419 -0.144887 0.010622 0.000313 -0.016752 0.013241 -0.028787 0.009705 0.005502 0.057584 -0.069179 0.004670 -0.010737 0.046555 0.047783 -0.111129 0.456198 0.088246 -0.218558 0.200960 -0.204447 -0.269531 -0.115091 -0.287982 -0.087471 0.049435 0.129292 0.087285 -0.077470 -0.243263 0.280447 0.164734 -0.129441 0.014043 -0.047941 -0.010220 -0.012982 -0.029682 -0.011848 -0.150484 0.093870 -0.012266 -0.199542 0.140383 -0.017119 -0.099016 0.050419 -0.013482 -0.045355 -0.060605 0.041572 0.084495 0.021739 0.095175 0.125716 0.103893 0.004224 0.188890 0.101372 -0.085048 0.070381 -0.075043 -0.079304 0.085015 -0.089375 0.004044 -0.221981 0.153516 -0.014138 0.041390 -0.083287 -0.013396 -0.324996 0.244955 -0.023892 -0.138420 0.081646 -0.013268 0.092163 -0.120859 -0.008259 0.139800 -0.047593 0.003231 0.210847 -0.207902 -0.199308 0.107359 -0.147706 0.007578 0.180084 -0.059490 -0.055676 0.051202 -0.001515 0.238089 0.216779 -0.039208 -0.129361 0.224136 0.220048 -0.118542 -0.067328 0.056518 0.074869 0.142340 -0.127780 0.079340 0.145867 -0.139498 0.078795 -0.040513 0.035101 0.079553 -0.167451 0.154831 0.068906 -0.049245 0.002068 -0.041602 0.104664 0.030668 -0.125822 0.039968 0.008468 -0.066751 -0.017450 -0.026420 0.071139 0.025201 0.018052 -0.119981 -0.001354 -0.018365 0.016672 0.289403 -0.272065 0.088037 0.261731 -0.230391 0.087762 -0.077354 0.069389 0.090341 -0.316650 0.289653 0.070002 -0.122654 0.105399 0.078080 0.187164 0.047536 -0.175361 0.052304 0.096142 -0.164304 -0.007222 -0.082852 0.075680 0.067375 0.025168 0.014127 0.097561 0.028843 -0.125898 0.072456 -0.015326 0.210158 -0.164718 -0.058744 0.065391 -0.122664 0.191583 0.008532 -0.051892 0.135411 0.012851 0.135537 -0.030333 0.013746 0.166701 -0.064149 0.022033 0.008064 0.086125 0.014637 -0.042419 -0.039344 -0.040383 -0.040297 -0.000154 0.124791 0.019023 0.035145 0.060935 0.094573 0.077831 -0.112864 -0.068157 -0.172838 -0.013917 0.014318 -0.073419 0.016136 0.232973 -0.111799 0.016081 -0.110795 0.191476 0.012699 0.290356 -0.167389 0.028906 -0.010547 0.112625 0.015555 -0.262353 0.324303 0.003973 0.045562 -0.016530 0.048746 -0.137693 -0.154527 0.055548 0.061284 -0.154417 -0.007223 0.014511 -0.006860 0.135861 -0.128072 -0.025805 0.238932 0.075637 -0.074371 -0.233502 0.202110 0.233751 -0.151118 -0.083622 0.122788 -0.021760 -0.103389 0.144545 -0.016432 -0.005547 0.059227 -0.018402 0.061584 -0.008347 -0.018051 0.022844 0.031609 -0.016750 -0.005221 -0.105596 0.071351 0.060974 -0.025397 -0.053553 0.030702 0.035708 -0.080865 -0.012336 -0.047414 0.099926 0.129693 0.160929 -0.063913 -0.073056 -0.100184 -0.037522 -0.013886 0.076940 -0.023449 -0.181125 0.214425 -0.020369 0.118080 -0.056338 -0.017425 0.028290 0.032628 -0.015979 -0.163609 0.199839 -0.026560 -0.024235 -0.095189 -0.042624 0.225812 0.380840 -0.209007 -0.095126 0.125816 -0.174944 -0.160051 -0.292540 -0.282545 0.163894 -0.016870 -0.038366 0.062579 0.023907 0.254369 -0.156495 -0.145876 0.115882 0.062552 -0.042234 -0.009438 0.030546 -0.014608 -0.010207 0.037321 -0.019888 -0.012652 0.071358 -0.055838 -0.010894 0.087296 -0.068070 -0.006734 -0.083792 0.050972 0.017264 -0.048296 -0.053274 0.067950 -0.054259 0.166962 -0.091383 0.038940 -0.051603 0.076387 0.009378 0.015660 -0.088236 0.014755 0.018521 0.000598 0.047566 -0.026301 -0.013044 0.045435 -0.028323 -0.009888 0.110480 -0.089634 -0.014026 0.151792 -0.122186 -0.006958 0.100157 -0.077417 -0.009231 0.003122 -0.315452 -0.161434 0.188763 -0.172183 -0.237613 0.045767 -0.146879 0.073547 0.209289 0.114790 -0.054192 -0.067369 -0.109718 0.464217 0.268111 -0.260021 0.285762 -0.143191 -0.012868 0.044204 -0.035141 0.015785 0.016463 -0.001390 -0.011229 0.013150 -0.016021 0.000814 0.014496 -0.040447 0.027557 0.014130 -0.059200 0.043044 0.010636 0.068381 -0.010401 -0.053816 -0.028704 -0.080068 0.074420 -0.134019 0.156122 -0.010159 0.043000 -0.066386 0.038059 0.013991 -0.010309 -0.002702 0.000342 0.005112 -0.001508 -0.021194 -0.000768 0.016627 0.001611 -0.009690 0.015086 -0.067447 0.051087 0.017533 -0.093252 0.069668 0.010679 -0.049152 0.027881 0.017847 -0.426852 -0.405187 0.134968 -0.082567 0.041403 0.087124 -0.063815 0.070302 0.061945 -0.074840 -0.024101 0.034108 0.465067 -0.029708 0.118530 -0.109539 0.087146 -0.093100 0.313490 -0.331984 0.154597 -0.018187 0.004532 0.006616 0.000440 -0.011548 0.007345 -0.011937 -0.001068 0.008293 -0.040876 0.028809 0.007386 -0.043172 0.026797 0.004678 0.070613 -0.010366 -0.038842 -0.171030 -0.006097 0.106928 0.089809 -0.017178 -0.077280 -0.032360 0.014063 0.050789 0.023302 0.009102 -0.002660 0.020508 -0.022815 -0.025592 -0.017810 0.001395 0.008926 0.001495 -0.013610 0.007205 -0.072563 0.055936 0.008777 -0.082259 0.058999 0.004657 -0.044302 0.027389 0.008797 0.027759 0.041554 -0.005643 -0.021590 0.083838 0.029612 -0.050890 0.116041 -0.007026 -0.234349 -0.084410 0.164895 -0.573588 -0.085571 0.344061 0.205726 -0.099879 0.331635 -0.393318 0.124982 -0.024945 -0.011772 0.005785 -0.002707 -0.010664 0.005659 -0.000957 -0.013163 0.007466 0.000791 -0.019458 0.011488 -0.000952 -0.005688 -0.002741 -0.000336 0.033127 -0.007971 0.009746 0.070444 0.030451 -0.094125 -0.167008 0.067789 0.051002 -0.013448 -0.044960 -0.019907 0.006350 -0.045058 0.036306 0.018571 0.003235 0.010826 -0.025949 0.022208 -0.001459 -0.008657 -0.001887 -0.003745 -0.033248 0.022775 -0.002510 -0.025806 0.013361 -0.000407 -0.028285 0.021175 -0.002749 0.402402 -0.023293 -0.382545 -0.010621 0.102859 0.025692 0.050048 0.166589 -0.172639 -0.262028 -0.085565 0.180299 -0.095354 -0.029810 0.191253 0.184429 -0.509353 -0.012632 -0.032733 0.296459 -0.136026 0.003700 -0.003426 0.000160 0.014744 -0.015809 0.004256 0.002380 -0.012342 0.004671 -0.004737 -0.002441 0.003280 0.011868 -0.013966 0.001808 -0.019370 0.010229 -0.004949 -0.009272 -0.006495 0.017974 0.026248 -0.004620 -0.007863 0.007925 0.007797 0.002988 0.001144 -0.002463 -0.036050 0.009377 0.014562 0.069594 -0.011620 0.000709 0.003059 0.016050 -0.018200 0.003356 0.028906 -0.030014 0.005634 0.029582 -0.029547 0.001900 0.015128 -0.014116 0.000441 -0.075686 -0.009269 0.065862 0.039892 -0.051941 -0.066569 0.389699 0.206114 -0.756263 -0.337389 -0.140926 0.189550 0.061420 0.007862 -0.023511 -0.051484 0.118771 -0.016290 0.039965 -0.082347 0.036921 0.010319 -0.012799 -0.008619 -0.019295 0.008402 -0.009782 -0.005888 0.001042 -0.005562 -0.011970 0.003065 -0.007454 -0.001356 -0.009338 -0.006726 -0.007191 0.001924 0.018501 -0.002858 -0.006754 0.002548 0.014590 -0.002784 -0.013062 -0.001756 -0.003629 0.013557 0.071344 -0.104554 -0.027987 -0.030245 0.059655 -0.028002 0.006498 -0.013089 -0.003770 -0.027308 0.010661 -0.013536 -0.001577 -0.007159 -0.015575 -0.023197 0.003908 -0.007134 -0.016700 0.015772 -0.014265 -0.026815 -0.016140 0.013879 -0.192788 0.765789 0.072952 0.158681 -0.297982 -0.082422 0.114195 0.333532 0.303588 0.005914 -0.006291 0.008147 -0.011652 0.048986 0.031494 0.002388 -0.033868 0.023726 0.004326 0.000478 -0.001485 -0.000924 0.002361 0.000378 0.010089 -0.006171 -0.001308 0.007500 -0.006332 -0.000501 0.012811 -0.007966 -0.000130 -0.026399 0.007117 0.018737 0.019777 -0.004997 -0.001998 0.006330 -0.010020 0.005951 0.002970 0.001076 -0.003753 0.000668 0.019303 -0.011011 0.074494 -0.021754 -0.110506 0.020375 -0.012112 -0.002307 0.006280 -0.003951 0.000471 -0.013280 0.011110 -0.001717 0.022925 -0.010878 0.000543 0.019365 -0.013300 -0.001902 -0.068525 -0.006572 0.062732 0.146179 -0.049576 -0.148308 -0.211329 0.099742 0.299322 -0.519264 0.030101 0.693013 0.059062 0.005350 -0.043851 -0.063600 0.084154 -0.050132 0.062581 -0.062007 0.024249 -0.010543 0.010244 -0.006521 0.010301 -0.007008 -0.003088 0.007755 -0.009309 -0.005492 -0.009119 0.006022 -0.008049 0.035165 -0.029994 -0.003560 -0.031443 0.006193 0.004257 -0.005560 -0.004823 0.008963 0.014886 -0.005403 -0.006191 0.001614 0.002491 0.004089 0.001967 -0.078561 -0.051609 0.108790 0.042666 0.054870 0.009065 -0.002094 -0.009626 0.026148 -0.023841 -0.004292 -0.048494 0.039371 -0.003766 0.046939 -0.045843 -0.004333 -0.001825 0.005848 -0.011175 -0.011193 -0.000740 0.016521 -0.233516 0.384579 0.099392 -0.246626 0.609251 0.247075 -0.131144 -0.330688 -0.353461 0.013570 0.000748 -0.009730 -0.010971 0.040452 0.008921 0.012908 -0.022362 0.013392 0.236589 -0.208976 0.016159 -0.165556 0.133279 -0.010529 0.038775 -0.011211 -0.009366 0.113078 -0.105818 0.017865 -0.223596 0.181174 -0.010730 -0.006381 0.009246 0.000459 0.009947 -0.003236 -0.003908 -0.001729 -0.001110 0.001307 -0.001715 0.000090 -0.000301 0.000206 -0.010589 -0.021063 0.026223 -0.008104 0.021777 0.060512 -0.019983 -0.013041 -0.231658 0.189688 -0.016258 0.187817 -0.166720 0.026715 -0.359529 0.291412 -0.010031 0.401263 -0.369969 0.027144 -0.012065 -0.001677 0.012709 -0.043024 0.063797 0.008756 -0.035374 0.173824 -0.011516 -0.098023 -0.139497 -0.073483 -0.009484 -0.007351 0.010937 0.006398 -0.013926 0.003332 0.000120 0.009180 -0.002936 -0.055233 0.039649 0.005655 0.178956 -0.163788 -0.007490 -0.232280 0.215803 -0.003773 0.203894 -0.194520 -0.003280 -0.086473 0.096047 -0.009470 -0.003947 0.001173 0.006491 -0.005708 0.007705 -0.001233 0.002082 -0.002752 -0.000381 -0.000691 -0.000201 0.000652 0.007780 -0.017440 -0.007250 0.008191 0.004045 -0.001987 -0.391767 0.360573 -0.013621 0.280520 -0.252077 -0.000675 0.363220 -0.327999 0.001733 -0.137585 0.150805 -0.007923 -0.087569 0.064866 0.013461 0.001152 0.014511 0.000073 -0.026746 0.105027 0.003167 -0.031020 0.045706 0.035223 -0.045594 -0.015492 0.026153 -0.014423 0.008180 -0.011292 0.004717 -0.005069 0.005525 -0.003436 0.005904 -0.001717 -0.007633 0.007074 0.004070 -0.005824 0.008939 0.008832 0.021437 -0.012983 0.000226 0.026868 -0.016963 0.008505 -0.012769 0.021545 -0.000109 -0.013069 -0.129494 -0.029880 -0.029332 -0.001201 0.021496 0.012506 0.005452 -0.013061 0.010077 0.002609 -0.006065 -0.072402 0.034417 0.071916 0.058998 0.324298 0.035073 -0.106939 0.112457 -0.010064 -0.045958 0.048151 0.009485 -0.084852 0.081887 0.020689 0.004202 0.016945 0.000850 0.033822 -0.036006 0.011807 0.021217 0.017981 -0.002324 0.460118 -0.023314 -0.470427 0.067094 0.294422 0.066281 0.161505 0.434611 0.096233 0.118910 0.032135 -0.091074 0.084887 -0.068784 0.059596 -0.089350 0.085973 -0.042587 0.003765 -0.000983 0.005462 0.009635 -0.011070 0.001728 0.004029 -0.007731 0.000092 -0.010962 0.006788 0.004029 -0.011381 0.007319 -0.003910 0.014025 0.035788 -0.014441 0.027190 0.005463 -0.010149 -0.000651 -0.003785 0.005677 0.002500 -0.003442 0.000541 -0.074194 -0.060177 0.076855 -0.011630 -0.075056 0.013636 -0.038865 0.028179 -0.000791 -0.049908 0.040343 -0.002101 0.030695 -0.026761 0.014093 0.085640 -0.082669 -0.004016 -0.022110 0.018450 0.011898 -0.211430 -0.007074 0.158871 0.513268 0.419543 -0.626499 -0.024369 -0.027336 -0.006210 0.016743 -0.140983 -0.136547 -0.065012 -0.006169 -0.000254 0.008795 -0.018406 0.000874 -0.004792 0.070066 -0.021879 0.005079 -0.004652 0.001007 0.011029 -0.014942 0.004003 0.012430 -0.015843 -0.004053 0.011075 -0.002981 -0.002650 0.009645 -0.004579 0.000689 0.000174 -0.007967 0.006258 0.098452 0.010856 -0.039619 -0.022875 -0.002549 0.031720 -0.008837 0.001214 0.002347 0.001460 0.016610 -0.061591 -0.000886 0.023468 0.003064 -0.111209 0.086877 -0.006479 -0.076529 0.078916 0.010458 -0.073938 0.070745 -0.002636 -0.063801 0.053655 -0.000343 -0.064057 0.065042 -0.009936 -0.627410 -0.006655 0.491305 -0.135624 -0.086615 0.097731 0.017224 0.003878 -0.012087 0.009505 0.040509 0.020437 -0.302337 -0.045734 0.052346 0.123491 -0.265985 0.035280 -0.093768 0.225921 -0.082043 -0.019353 0.011320 -0.005350 0.008653 -0.006030 -0.000222 0.067463 -0.054354 0.006788 0.052891 -0.044426 0.003543 0.006515 -0.009447 -0.000567 -0.004546 0.010245 0.000585 0.004481 0.009478 -0.015924 0.002307 -0.004089 -0.000131 0.000380 0.001002 0.001864 0.002391 -0.002361 0.009429 -0.008255 -0.015241 -0.001200 -0.501355 0.446787 -0.013449 -0.137318 0.110881 -0.013465 -0.399077 0.341847 -0.019388 -0.147666 0.124279 -0.001597 0.018745 -0.024445 -0.002846 0.116366 -0.049000 -0.141436 0.009393 0.015505 -0.000606 0.005562 -0.025673 -0.016244 0.015296 -0.008236 -0.014969 -0.144612 -0.037241 0.189772 -0.114922 0.179583 -0.057762 0.107476 -0.166140 0.068999 -0.074551 0.069266 -0.000476 -0.011358 0.012681 -0.003594 0.023696 -0.024428 -0.003822 -0.004063 -0.000747 0.000511 -0.056298 0.052340 0.000467 0.001723 -0.007490 -0.001328 0.025005 0.008969 -0.022917 -0.002448 -0.003524 0.006212 -0.004408 0.005169 0.002581 0.023712 -0.001695 0.006254 -0.002856 0.003713 -0.001872 -0.077573 0.060119 -0.005608 0.161759 -0.140769 0.002146 0.070923 -0.066141 -0.000179 0.441333 -0.386557 0.003537 0.521413 -0.479362 0.011928 -0.076909 -0.035111 0.021336 -0.034181 0.004446 0.066611 0.001381 -0.009411 0.000974 0.010632 0.017379 0.007200 -0.174079 -0.035477 0.129099 -0.022079 0.023986 -0.011460 0.049966 -0.051862 0.027302 0.013893 -0.011702 -0.001321 -0.012673 0.014888 0.000127 -0.037847 0.034210 -0.000290 -0.010451 0.007940 0.000500 0.021807 -0.019849 0.001495 0.001088 -0.015987 -0.001560 0.057146 0.030137 -0.058555 -0.003173 -0.009479 0.014194 -0.000415 0.001191 0.007326 -0.017090 0.009698 0.005506 0.004492 0.029250 0.008475 0.247111 -0.221254 0.011521 0.115727 -0.088218 0.012358 0.087268 -0.075546 0.005779 -0.131958 0.120189 0.000896 -0.073289 0.068920 -0.004196 -0.040898 -0.128812 -0.100462 0.051623 -0.005647 -0.063735 0.003434 0.034623 0.008296 0.031282 0.027694 -0.028367 -0.492397 -0.109557 0.478727 -0.214935 0.298191 -0.124014 0.203336 -0.266111 0.118264 0.052049 -0.024590 0.003547 0.063586 -0.052523 0.009066 0.028449 -0.022508 0.012671 -0.065570 0.033019 -0.002698 -0.055607 0.050733 -0.023975 -0.004680 -0.007248 0.003667 0.005958 0.005544 -0.008887 -0.002148 0.001074 -0.000048 0.000148 -0.003086 0.000869 0.007882 0.007460 -0.008005 0.007511 0.013861 -0.003192 -0.148204 0.188350 -0.017198 -0.451234 0.358708 -0.039485 0.306746 -0.285396 0.019328 0.349163 -0.290353 -0.019890 -0.261026 0.256489 0.008282 0.074269 -0.013112 -0.073031 -0.052825 -0.046659 0.065464 -0.019304 0.020922 0.039680 0.000758 0.016260 0.008243 -0.089445 -0.022995 0.113884 -0.067692 0.089893 -0.041143 0.047181 -0.076933 0.029880 0.180639 0.229233 0.083405 -0.039219 -0.010745 0.179532 -0.059233 -0.053237 0.093922 -0.145230 -0.190697 -0.038071 0.060214 0.028852 -0.317420 0.001549 0.001181 -0.001308 0.000582 -0.002611 0.001920 -0.000021 -0.000149 -0.000299 -0.004027 0.004514 -0.000973 0.001576 -0.001017 0.002464 -0.003945 -0.001910 -0.001508 0.277885 0.217242 -0.136989 -0.160447 -0.338809 -0.126328 -0.212395 -0.046810 0.307786 -0.094967 0.046060 -0.333532 0.191803 0.095757 0.284541 -0.011418 0.005051 0.016650 -0.007229 -0.010231 0.013665 -0.000284 -0.014593 0.001734 0.013037 0.007741 -0.003728 0.008725 0.000745 -0.014819 0.022713 -0.036164 0.013310 0.006909 -0.002927 0.002557 0.062279 0.065471 0.151971 -0.165196 -0.174033 0.178594 -0.104034 -0.136511 -0.281073 0.143382 0.165768 -0.120458 0.062278 0.079383 0.071321 -0.000177 0.000939 0.000362 -0.002037 -0.002225 0.001696 -0.000260 -0.000074 -0.002425 -0.002880 0.001317 -0.001289 0.002778 -0.001536 0.002588 -0.000016 -0.001325 -0.001145 -0.146918 -0.017263 -0.320996 -0.033229 -0.073614 0.338029 0.250301 0.163146 0.216066 -0.249335 -0.294879 0.010724 0.156617 0.246136 -0.260257 0.062271 0.009939 -0.038636 -0.000325 0.005332 0.004077 0.001531 -0.005368 -0.001219 -0.001274 0.000758 0.004462 -0.004915 -0.005259 0.020476 -0.013174 0.018320 -0.005959 0.025537 -0.041381 0.015799 0.001598 0.003137 0.002083 -0.004643 0.001033 0.002098 -0.000270 -0.001938 -0.001341 0.003065 -0.002876 -0.000986 -0.001888 0.003405 -0.002562 -0.000775 -0.000347 0.000311 -0.001384 0.010000 -0.004003 -0.019829 0.028991 -0.005135 0.088936 -0.123821 0.043677 0.002349 -0.000493 -0.001015 -0.000026 0.000194 -0.000222 0.000116 0.004478 -0.004198 0.020586 -0.029615 -0.002714 -0.016167 0.015414 0.004780 0.018905 -0.021260 -0.003102 0.009653 -0.007348 0.007306 -0.015182 -0.016776 -0.013661 -0.022380 -0.017187 0.028436 0.000196 0.000253 -0.000666 -0.001275 0.000727 0.002227 0.000565 0.005748 0.026016 -0.348201 0.509736 -0.208044 -0.423780 0.554351 -0.237099 0.039829 -0.038634 0.008645 -0.024278 0.006900 -0.005399 -0.024239 0.031227 -0.008617 0.065196 -0.054347 0.006039 -0.057785 0.053574 -0.000986 -0.000430 0.000091 0.000402 0.002567 0.001200 -0.002283 -0.000517 -0.001035 0.002124 -0.001729 0.003668 -0.002857 0.004056 0.001742 -0.001382 -0.001576 -0.000947 0.002612 0.207548 -0.159118 -0.006306 0.119903 -0.127986 -0.005137 -0.458285 0.398105 -0.004068 0.436420 -0.381582 0.002281 -0.308369 0.280159 0.003370 -0.003699 -0.002315 -0.000607 -0.012416 -0.010121 0.018004 0.018150 -0.001128 -0.031259 -0.004486 -0.002881 0.002722 -0.015829 -0.002321 0.007896 0.008214 -0.004963 0.006652 0.010218 -0.031663 0.009982 0.040071 -0.031349 -0.011418 -0.063831 0.068231 -0.003596 0.054117 -0.038706 0.006498 -0.038737 0.020524 0.014730 -0.013380 -0.006645 -0.006107 0.000767 -0.001093 -0.000603 -0.002023 0.006075 -0.002140 0.003730 -0.005875 0.003825 -0.000436 0.003447 -0.000187 -0.000965 0.002450 -0.000924 0.001350 0.001450 -0.001609 -0.338543 0.322741 -0.014040 0.555108 -0.462625 0.029999 0.226292 -0.204317 0.038242 0.043310 -0.053217 -0.005561 -0.267891 0.253429 -0.020796 -0.036349 -0.033152 -0.005000 -0.002325 -0.012992 0.003684 -0.010153 0.003724 0.017302 0.002380 0.003083 0.000013 0.017264 0.008311 -0.003933 0.011651 -0.017351 0.004569 0.001573 0.003012 0.000246 -0.002214 0.008303 0.001074 -0.002537 -0.002238 -0.002811 0.004873 -0.002396 0.004325 0.005054 -0.000916 -0.003068 -0.006722 0.001105 0.001326 0.046664 -0.003654 0.044143 -0.035110 0.006036 0.015551 0.076146 -0.005576 -0.077364 -0.079218 -0.009758 0.117394 -0.137517 0.009011 -0.145786 -0.008124 0.010650 -0.004105 -0.011897 0.001388 0.008857 -0.003258 -0.027491 -0.021303 -0.014008 0.011709 -0.020059 0.021918 -0.052035 -0.000455 0.037327 -0.025279 -0.000436 0.083635 -0.024232 -0.094391 -0.115052 0.016283 -0.191265 0.011630 -0.046089 0.006520 0.021619 0.036335 0.007699 0.053452 0.014901 0.025713 -0.323178 -0.329447 -0.453324 0.517535 0.389199 0.045288 0.002653 -0.012519 -0.000392 0.006953 0.002551 0.004300 -0.009242 0.000438 -0.008768 -0.000514 -0.000815 0.004332 0.008212 0.000879 -0.004478 -0.059247 0.004665 -0.054509 -0.050247 0.026897 -0.065144 0.092466 -0.038006 -0.044277 -0.041938 0.023269 0.121188 0.174648 -0.003213 0.173566 0.010981 -0.010007 0.005152 0.015285 -0.025185 -0.007268 -0.007841 0.063019 0.036808 -0.003013 0.009814 0.038478 -0.010618 0.060744 -0.001800 -0.056363 0.026332 0.019215 -0.281404 -0.305242 -0.139481 0.156450 -0.048476 0.227054 -0.011345 0.055620 -0.007411 -0.020273 -0.038272 -0.011079 0.120509 0.015377 0.130688 -0.147471 -0.341277 -0.279493 0.382582 0.457490 0.020542 0.000080 0.006390 0.001432 0.002984 -0.003846 0.000072 -0.002303 -0.000436 0.001689 0.002616 0.000452 -0.002955 -0.002482 0.000135 -0.000528 0.012778 0.000688 0.014047 -0.032331 0.147991 -0.018263 0.041567 -0.109407 0.059001 -0.012293 -0.008687 -0.059224 -0.039765 0.001390 -0.040688 -0.002018 -0.001804 -0.002863 -0.000318 -0.023806 0.010921 -0.034427 0.025954 -0.003587 -0.007629 0.007997 -0.009658 -0.007068 -0.029697 -0.003409 0.028138 -0.011769 -0.008464 -0.283022 -0.465751 -0.272944 -0.049581 0.008470 -0.037965 -0.000626 -0.017008 0.006743 0.000324 0.002989 0.003674 0.507435 0.146289 0.439635 0.105316 -0.024068 0.114477 -0.259363 -0.034923 -0.078035 0.015908 0.019221 -0.044404 -0.050912 -0.057191 0.049158 0.047202 0.053147 0.032711 -0.041304 -0.044996 -0.030529 -0.003467 0.001629 0.097754 -0.000167 0.000503 -0.003885 -0.002724 -0.001862 -0.004778 0.001731 -0.001557 0.000946 0.002729 0.002943 0.003867 0.001839 0.000369 0.007014 -0.000576 -0.000441 0.001545 0.328746 0.349212 -0.184308 -0.150096 -0.194342 -0.100040 -0.090604 -0.117732 -0.454735 0.072424 0.105615 0.122489 0.191817 0.183328 -0.549687 -0.022675 -0.017090 -0.001650 0.014424 -0.002846 -0.004692 0.000093 0.002408 -0.001735 0.000245 -0.003491 -0.005122 0.001935 -0.001626 -0.005239 0.004659 -0.002264 0.002443 0.006886 0.017497 0.000077 0.054193 0.064588 0.042026 -0.007929 -0.007782 -0.058915 0.007193 0.007782 0.080608 0.053473 0.055801 -0.040134 -0.038363 -0.040871 0.018966 -0.005059 -0.002269 -0.004303 -0.000759 -0.003453 -0.004824 0.000057 0.001484 0.000460 0.002207 0.003393 0.003308 0.009492 0.001918 0.011612 0.002862 0.002134 0.000905 -0.199030 -0.216254 0.254727 -0.238252 -0.315704 -0.427025 0.037802 0.005329 -0.328333 -0.394726 -0.445629 -0.047005 0.036918 0.072877 0.072947 -0.015548 -0.004315 0.005808 0.015904 -0.012194 0.009398 -0.002572 0.008660 0.004775 -0.006009 -0.005616 -0.003158 -0.015450 -0.004506 -0.012102 0.005311 -0.003031 0.003115 0.009410 0.007441 0.002970 -0.037473 -0.030333 0.025025 -0.025061 -0.033366 -0.050364 0.035681 0.035843 -0.042652 0.020201 0.036607 0.035229 0.007312 -0.008215 0.026731 -0.000602 0.000151 0.000218 0.002673 0.005179 0.001715 0.001771 -0.001184 -0.000430 -0.004123 -0.002048 -0.002326 0.002011 0.000729 -0.000660 -0.000129 -0.001040 0.000572 0.330888 0.368844 -0.286760 -0.260061 -0.324283 -0.405740 0.078371 0.071385 0.358268 -0.005253 0.029117 0.029690 -0.137882 -0.159064 0.364577 -0.011975 -0.005014 0.007044 -0.002586 -0.000863 0.004424 0.003239 0.000314 -0.006731 0.000924 0.001586 0.004019 0.003161 0.004135 0.012337 -0.003216 -0.009886 -0.005036 -0.004875 -0.008730 -0.000966 0.003403 -0.005830 0.055176 -0.033704 -0.020436 0.012779 -0.015912 -0.031568 -0.014912 0.002180 0.007516 -0.061954 0.044415 0.050326 0.012136 -0.000647 0.000134 -0.001212 0.009588 0.010204 0.012931 0.002283 0.001073 -0.006207 -0.012465 -0.010469 -0.007383 0.003230 -0.000780 0.002256 -0.000106 0.001040 0.001059 -0.153907 -0.128902 0.072801 -0.074276 -0.148728 -0.100815 -0.031346 -0.082742 -0.530125 0.402254 0.464517 0.081579 -0.143049 -0.114370 0.434797 0.015641 0.024429 0.021187 0.003615 0.006270 0.000647 0.000593 0.001426 -0.000066 -0.003873 -0.004208 -0.004173 0.013901 0.009175 0.034275 -0.020878 -0.021209 -0.023791 -0.018791 -0.025357 -0.005362 -0.003272 -0.003264 0.010536 -0.004243 -0.006543 0.001478 -0.002515 -0.005415 -0.006296 0.002671 0.004393 -0.008826 0.007322 0.010385 -0.002551 0.014023 -0.000767 0.017546 -0.127580 -0.108299 -0.173706 -0.030068 -0.030978 0.091634 0.153278 0.136567 0.081863 -0.051182 -0.003527 -0.035314 -0.000651 0.000443 -0.003974 -0.019046 -0.013773 0.002500 -0.038699 -0.003528 -0.017501 0.001038 -0.003561 -0.047393 0.075804 0.070302 0.008837 -0.030376 -0.033882 0.096696 -0.195474 -0.340858 -0.319968 -0.057275 -0.012262 -0.035567 0.003608 -0.010863 -0.002793 -0.009242 0.005773 0.017009 -0.161935 -0.107385 -0.342311 0.290551 0.293232 0.349469 0.247425 0.273688 0.073091 0.171489 0.195480 0.119201 0.144057 0.146750 -0.211342 -0.092748 -0.110814 -0.256013 -0.186621 -0.210008 0.051403 -0.028604 -0.025456 0.295775 0.002618 -0.002292 -0.000302 -0.003607 -0.000543 -0.000427 -0.001329 -0.000244 0.001062 0.001798 0.001507 0.001035 -0.001088 0.002229 -0.000031 -0.001993 0.001502 -0.000538 -0.104314 -0.090002 -0.310553 0.109762 0.168892 -0.278535 -0.237859 -0.214451 0.088690 -0.064269 -0.013898 0.337726 0.158986 0.234109 0.177310 -0.000485 -0.002566 -0.002275 -0.001689 -0.004073 0.001689 -0.002318 0.001584 0.002110 0.004454 0.006849 0.002083 -0.003822 0.000517 -0.008950 0.002186 0.005734 0.003762 0.004936 0.004036 0.000942 0.022265 0.023037 -0.064562 -0.033954 -0.040259 -0.047582 -0.041089 -0.045599 0.035210 0.007287 0.010758 0.066953 0.046142 0.052705 0.009980 -0.000018 -0.000061 0.000005 -0.000365 -0.000508 -0.000593 -0.000161 -0.000182 -0.000084 0.000068 0.000099 0.000120 -0.000098 -0.000010 0.000032 0.000056 0.000160 -0.000013 0.259669 0.283536 -0.208261 0.200242 0.247663 0.305185 -0.047556 -0.072141 -0.440764 -0.288351 -0.330919 -0.054255 -0.131110 -0.132341 0.396524 0.001580 0.003566 0.000462 0.000250 0.000245 -0.000404 -0.001170 -0.000196 0.002453 -0.000302 -0.000662 -0.001019 0.003059 -0.000794 0.004287 0.000673 0.001558 0.001775 0.002173 0.000693 0.000149 -0.000366 -0.001005 0.001194 -0.000177 0.001020 -0.001631 0.000456 0.000016 0.001640 -0.000088 -0.000083 -0.001259 -0.000107 -0.000165 0.000400 -0.000464 -0.000266 -0.000820 -0.010810 -0.010365 -0.027506 -0.030653 -0.032190 -0.032667 -0.036113 -0.035699 -0.021332 0.002783 0.002180 0.002276 -0.000243 0.000921 -0.000401 0.000359 0.003179 0.000646 0.009203 -0.009299 -0.004145 0.001020 0.000746 0.005262 0.000711 -0.000346 0.000444 -0.003305 0.004955 -0.004514 0.059350 0.379344 0.220223 -0.001054 -0.019223 0.010585 -0.001040 -0.004719 0.004994 0.000540 -0.001001 -0.004523 0.258737 -0.028347 0.393441 0.148466 0.284370 0.428665 0.441493 0.294917 -0.071080 0.093707 0.147878 0.034782 -0.146316 -0.201493 -0.047549 0.189399 0.218973 -0.223351 0.007234 0.032318 0.368773 -0.147119 -0.201420 -0.141600 -0.001300 -0.001161 -0.000612 0.009995 0.008684 0.015714 -0.000644 -0.000367 -0.003544 -0.012004 -0.011755 -0.007730 0.004437 0.002557 -0.001613 0.003545 0.008383 0.003142 -0.234172 -0.276707 0.128279 0.019866 0.097020 0.285943 -0.065083 -0.098538 -0.356125 0.187956 0.247376 -0.081156 0.112912 0.095861 0.131839 -0.000828 -0.063208 -0.031326 -0.007812 -0.011241 0.015051 0.017651 -0.044413 0.013555 -0.044699 -0.042573 -0.026363 -0.037231 0.013653 -0.060121 0.012141 0.037641 0.057699 0.058643 0.033868 -0.015743 -0.001519 0.000943 0.021200 -0.012985 -0.014430 -0.019956 0.014548 0.014321 -0.002939 -0.005818 -0.004421 0.007354 0.004459 0.002154 -0.007417 0.001277 0.000173 0.002037 -0.070071 -0.068864 -0.114200 0.001943 -0.003298 0.022437 0.078665 0.076699 0.053178 -0.006048 -0.001386 -0.000900 0.000419 0.001438 -0.001258 -0.011619 -0.005507 0.015734 0.023763 0.009364 0.019172 -0.004727 -0.007869 0.001248 0.001150 0.002529 -0.008267 0.013037 0.010783 -0.011906 0.024651 0.477193 0.217395 -0.001314 0.012827 -0.009687 0.000446 -0.011441 0.007684 -0.005462 -0.006392 -0.006930 0.309660 -0.102683 0.452323 -0.082623 -0.219865 -0.365976 -0.359288 -0.204862 0.103129 -0.113278 -0.116379 0.340837 -0.124535 -0.132270 -0.268838 0.161679 0.150901 0.029265 -0.144601 -0.129628 -0.056064 0.240569 0.240457 -0.051926 -0.001014 -0.000272 0.000173 0.014426 0.017288 0.023689 0.000962 0.000271 -0.005635 -0.016913 -0.016586 -0.010548 0.002441 0.001658 0.001454 0.000622 0.004279 0.002469 -0.115717 -0.082643 0.236075 0.177420 0.186362 0.142916 -0.105176 -0.145631 0.125373 -0.265110 -0.267720 -0.151839 0.098259 0.107897 -0.313543 -0.001269 -0.105412 -0.055234 0.002726 -0.006610 0.001219 0.014933 -0.015714 -0.008433 -0.025880 -0.016389 -0.001636 -0.078350 0.023331 -0.096354 0.013297 0.043753 0.070595 0.072309 0.041722 -0.021195 -0.059314 -0.059537 0.211168 0.084139 0.094851 -0.086996 -0.123372 -0.136966 0.012905 0.078780 0.090864 0.144947 -0.028926 -0.042476 -0.153499 -0.000810 -0.000636 0.001749 -0.000030 0.001549 0.000690 -0.000153 -0.000080 -0.000136 -0.000136 -0.000311 -0.000230 0.000546 -0.000093 -0.001096 0.001703 0.005645 -0.000027 0.239232 0.257124 -0.300640 0.038868 0.022303 -0.214673 0.025923 0.015849 -0.439610 0.135849 0.166515 -0.153291 0.175968 0.177882 -0.486797 0.001948 -0.006603 -0.005105 -0.002345 -0.001182 0.002236 0.011008 -0.038489 0.012484 -0.030111 -0.024158 -0.012234 -0.006630 0.001607 -0.005926 0.000318 0.001223 0.001339 0.001191 0.001883 -0.000636 -0.081043 -0.098842 -0.067315 0.080373 0.093856 0.176732 0.020653 0.024113 -0.171020 -0.054526 -0.053146 0.167236 0.114567 0.127166 -0.034640 0.001915 0.002256 0.001866 -0.003046 -0.002984 -0.004705 -0.000529 -0.000707 0.000725 0.002691 0.002785 0.001691 -0.001455 -0.000089 -0.002450 -0.008203 -0.025897 -0.002883 -0.206444 -0.242966 -0.013848 -0.261616 -0.309508 -0.313494 -0.120135 -0.158311 -0.327438 -0.293512 -0.334665 -0.126112 -0.103886 -0.110057 -0.097012 0.002227 0.022941 0.011697 -0.004328 0.000028 0.000443 -0.054916 0.180437 -0.054882 0.138782 0.122402 0.073101 0.015782 -0.004292 0.020877 -0.001637 -0.005785 -0.010043 -0.010114 -0.005419 0.003484 0.009836 0.011346 0.016163 -0.010816 -0.013492 -0.025323 -0.001434 -0.000969 0.017490 0.007890 0.008638 -0.010949 -0.014811 -0.017274 -0.002233 0.001164 0.003179 0.001421 -0.000343 -0.000161 -0.000549 -0.000148 -0.000026 0.000008 0.000028 0.000041 0.000051 -0.002269 0.002126 -0.002069 -0.024107 -0.089916 -0.007460 0.026785 0.022251 0.000548 0.032676 0.038784 0.037182 0.016324 0.011685 0.016636 0.038961 0.044927 0.008598 0.018591 0.019903 0.000804 -0.000057 0.003494 0.001831 -0.002090 -0.004856 -0.001947 -0.195721 0.647144 -0.193544 0.486695 0.426822 0.254638 0.004812 -0.000360 0.003292 0.000733 -0.000204 0.000755 0.000229 0.001051 -0.000245 -0.000058 -0.000099 -0.000361 -0.000502 -0.000314 -0.000144 0.000143 0.001079 0.000676 0.000078 0.000767 0.000101 -0.000569 -0.000153 0.000241 0.000030 -0.000291 -0.004482 0.140129 0.145087 0.213579 -0.421398 -0.407130 -0.394933 0.252297 0.242434 0.175936 0.009689 0.002387 0.003766 -0.001246 -0.000358 0.002047 0.004326 -0.002012 0.000269 -0.002332 -0.001131 -0.003342 0.000623 0.000593 0.000645 0.000007 -0.001051 0.000185 -0.004229 -0.000673 0.003178 0.133016 -0.108202 0.103022 0.004632 0.000511 0.014593 -0.000074 0.000734 -0.002098 0.002677 -0.000596 -0.002241 -0.002252 0.198771 0.011143 0.164108 0.037627 -0.232006 -0.063226 0.079451 0.297336 0.000001 -0.000048 0.000044 0.000436 0.000143 -0.000413 0.000074 -0.000056 0.000112 -0.000003 -0.000056 -0.000003 0.000044 0.000005 0.000094 -0.000072 0.000058 -0.000044 0.024235 0.028370 0.049230 -0.004944 -0.005072 -0.005367 0.020307 0.014845 0.001432 0.000193 -0.000000 -0.000129 0.000135 0.000137 -0.000111 -0.000569 -0.000344 -0.001697 -0.001750 -0.002769 0.002134 -0.000041 0.000062 0.000030 -0.000091 0.000169 -0.000968 -0.000009 -0.000101 -0.000135 -0.340142 0.343020 -0.449815 0.000663 -0.000122 0.000078 0.000926 0.000207 0.000183 0.000287 0.000438 -0.000926 0.080787 -0.646646 -0.080596 -0.242529 -0.100245 0.167649 0.022936 -0.052634 -0.168254 -0.000005 -0.000016 0.000010 0.000222 0.000111 -0.000228 0.000011 -0.000039 0.000042 -0.000012 -0.000013 -0.000015 0.000020 -0.000001 0.000026 -0.000032 0.000004 0.000011 0.009592 0.010866 0.018701 0.004109 0.004257 0.003388 -0.053663 -0.038863 -0.004025 0.000322 0.000165 -0.000270 0.000056 0.000060 -0.000058 -0.000256 -0.000134 -0.000679 -0.001350 -0.001727 0.001746 0.000052 0.000088 -0.000015 -0.000014 0.000085 -0.000273 0.000136 0.000110 0.000217 -0.132732 0.133137 -0.175352 -0.001054 0.000441 -0.000123 0.000335 0.000078 0.000164 0.000076 0.000092 -0.000314 0.029906 -0.250492 -0.030808 0.631157 0.261298 -0.435458 -0.056645 0.136055 0.431644 0.010728 0.012034 0.005440 -0.032548 -0.035381 0.051792 -0.012233 -0.015025 -0.039418 0.009334 0.010602 -0.001948 0.000063 0.000064 -0.000561 0.000003 0.000035 -0.000014 -0.001056 0.002821 -0.000695 0.000045 0.000020 0.000135 -0.000060 -0.000051 -0.000050 0.000055 -0.000075 -0.000039 -0.000028 -0.000048 0.000030 0.153388 0.192762 0.454280 0.379882 0.405312 -0.584705 -0.110273 -0.127366 0.031067 0.000195 0.000169 0.005987 -0.129440 -0.142365 -0.088177 0.009458 -0.009089 0.010700 -0.000096 0.000187 0.000208 0.000395 0.000497 -0.000228 -0.000097 0.000168 0.000129 0.002171 -0.023749 -0.003669 0.000655 0.000322 -0.000512 -0.000193 0.000113 0.000641 -0.015855 -0.017889 -0.010636 0.015346 0.016702 -0.021395 -0.014306 -0.017234 -0.035839 0.032936 0.037172 -0.009020 -0.004131 -0.003849 0.038274 0.000010 -0.000010 0.000035 0.001137 -0.002666 0.000906 -0.000052 -0.000066 -0.000065 0.000020 0.000056 0.000094 0.000026 0.000009 -0.000071 -0.000154 -0.000013 -0.000002 0.144465 0.181021 0.415711 -0.162425 -0.173352 0.245367 -0.378149 -0.436179 0.111944 0.039447 0.042049 -0.448362 0.190535 0.209784 0.134434 -0.011042 0.010199 -0.013428 -0.000064 0.000142 -0.000107 0.001069 -0.000084 -0.000230 -0.000321 -0.000144 0.000457 -0.002308 0.021638 0.003253 -0.000010 0.000012 0.000039 0.000222 -0.000244 -0.000742 0.002166 0.002440 0.001823 0.000279 0.000004 -0.000059 -0.001110 -0.001460 -0.003084 -0.000553 -0.000598 0.000474 0.000494 0.000449 -0.005566 0.000067 -0.000098 -0.000032 0.036591 -0.086649 0.032312 -0.000240 -0.000315 0.000014 0.000250 0.000006 0.000350 0.000075 0.000047 -0.000057 -0.000186 -0.000074 0.000156 0.011582 0.014887 0.034051 0.001063 0.000682 -0.002497 0.006578 0.007438 -0.002321 -0.005551 -0.005659 0.063239 -0.026163 -0.028875 -0.018681 -0.360623 0.352626 -0.483459 -0.000304 0.000079 -0.000314 -0.001112 -0.000270 -0.000105 0.000052 -0.000270 0.000592 -0.079182 0.691685 0.098286 -0.000180 0.000432 -0.000132 0.000904 -0.001495 -0.001452 0.008068 0.009197 0.010258 0.018760 0.020328 -0.026177 -0.017281 -0.021065 -0.046268 -0.005682 -0.006353 0.006145 0.005497 0.004995 -0.058287 -0.000001 -0.000020 0.000052 -0.002597 0.006266 -0.002334 0.000021 0.000014 -0.000093 -0.000016 0.000017 0.000018 -0.000055 -0.000051 0.000024 0.000044 -0.000014 0.000021 0.175229 0.220396 0.511179 -0.190900 -0.203428 0.290704 0.066121 0.076336 -0.024277 -0.057149 -0.060534 0.659837 -0.105145 -0.115771 -0.078390 0.025555 -0.025607 0.035734 -0.000034 0.000043 0.000262 0.000172 0.000747 -0.000080 0.000106 0.000224 0.000030 0.005797 -0.050041 -0.006892 -0.000212 -0.000214 0.000213 -0.000045 0.000054 -0.000383 0.032159 0.036294 0.024335 0.002262 0.002336 -0.008717 0.007472 0.009525 0.029174 0.040621 0.045906 -0.012970 -0.001491 -0.001991 -0.017244 -0.000049 0.000005 0.000010 -0.000690 0.001490 -0.000614 0.000068 0.000041 0.000036 0.000006 -0.000043 -0.000105 -0.000020 -0.000056 -0.000015 -0.000136 0.000005 -0.000000 -0.097711 -0.123562 -0.293372 -0.041300 -0.043977 0.068477 -0.439016 -0.506601 0.130822 -0.012709 -0.013293 0.182513 -0.370389 -0.407716 -0.262022 0.006753 -0.006475 0.008922 -0.000232 -0.000007 -0.000212 0.000401 -0.001039 -0.000246 -0.000258 -0.000169 0.000017 0.001420 -0.011621 -0.001694 -0.000319 -0.000159 0.000189 -0.000258 0.000295 0.000791 -0.038087 -0.042647 -0.025732 -0.010052 -0.010481 0.017860 0.006021 0.007616 0.018620 0.023537 0.026839 -0.005344 0.005451 0.005467 -0.052576 -0.000142 0.000115 -0.000006 0.000229 -0.000336 0.000225 -0.000052 -0.000024 -0.000052 -0.000182 0.000074 0.000505 0.000038 0.000073 0.000132 -0.000095 -0.000031 -0.000009 -0.061752 -0.078624 -0.183285 0.105205 0.111060 -0.163082 -0.239687 -0.277351 0.069822 -0.048098 -0.052056 0.552091 0.407594 0.447885 0.285515 -0.002002 0.002220 -0.003169 0.000285 -0.000076 0.000206 0.000658 -0.000430 0.000095 -0.000437 0.000200 -0.000170 -0.000384 0.002453 0.000355 0.002088 0.000883 -0.001376 0.000579 -0.001426 -0.004393 0.000248 0.000274 0.000155 0.000055 0.000065 -0.000059 -0.000002 -0.000031 -0.000050 -0.000114 -0.000124 0.000037 -0.000040 -0.000022 0.000251 0.000048 -0.000008 0.000087 -0.000148 0.000137 -0.000206 -0.002742 -0.002330 -0.000792 -0.035724 0.012249 0.090926 -0.000489 -0.000212 -0.000217 0.000010 -0.000021 -0.000042 0.000088 0.000137 0.000350 -0.000424 -0.000344 0.000638 0.001121 0.001251 -0.000328 0.000215 0.000223 -0.002711 -0.002479 -0.003029 -0.002046 0.000984 -0.001519 0.002118 0.001311 0.000278 -0.001572 0.000061 -0.000023 -0.000119 -0.000075 -0.000250 0.000296 -0.000380 0.000104 0.000373 0.374853 0.159131 -0.248587 0.087487 -0.274081 -0.824525 0.000012 -0.000128 -0.000002 -0.000019 -0.000050 0.000008 0.000042 -0.000033 -0.000089 0.000027 -0.000081 0.000002 0.000047 -0.000001 -0.000024 -0.000037 -0.000343 -0.000036 -0.000064 0.000151 0.000067 0.000107 0.000011 -0.000020 -0.000035 -0.000027 -0.000013 0.000785 0.000155 0.000728 0.019122 0.053243 0.004808 -0.000137 0.000052 0.000467 0.000017 0.000086 -0.000107 -0.000678 -0.000333 -0.000294 -0.000035 0.000024 0.000261 0.000161 0.000413 0.000238 -0.000003 0.000024 -0.000030 -0.013237 -0.003006 -0.012503 -0.613692 -0.233297 -0.350151 0.351377 -0.486451 0.287540 0.000057 -0.001292 0.000074 -0.000147 -0.000073 0.000026 0.000054 0.000040 0.000094 0.000003 -0.000026 0.000106 0.000009 -0.000115 -0.000072 -0.000027 0.000034 0.000025 0.000044 -0.000045 -0.000113 0.000080 0.000067 0.000029 0.000713 -0.000170 0.000775 -0.000169 -0.000138 -0.000026 0.000093 -0.000016 0.000480 -0.000006 -0.000011 -0.000015 -0.053692 -0.009505 -0.052300 0.000605 0.001149 0.000267 -0.000079 0.000001 -0.000112 -0.000024 -0.000032 0.000088 -0.000147 -0.000065 0.000066 0.000108 -0.000031 -0.000160 -0.000107 -0.000164 -0.000050 0.000099 0.000243 -0.000319 0.711134 0.137327 0.685088 -0.014168 -0.005503 -0.007873 0.005560 -0.005465 0.004004 0.000217 0.000274 -0.000047 0.000360 0.000508 -0.000267 0.000538 0.000116 0.000880 -0.000029 -0.000069 -0.000016 0.000027 -0.000019 -0.000005 0.000046 -0.000050 -0.000165 0.000025 -0.000144 0.000059 0.000043 0.000017 0.000020 0.000163 -0.000057 0.000117 -0.000040 0.000027 -0.000010 -0.000016 -0.000019 0.000050 0.000008 0.000013 0.000008 0.000319 0.000260 0.000340 0.064627 -0.023767 0.043609 -0.000286 0.000274 0.000326 -0.000085 -0.000090 0.000095 -0.000887 -0.000069 -0.000106 0.000030 -0.000021 -0.000236 -0.000003 0.000144 0.000059 0.000174 0.000008 -0.000099 -0.003353 -0.000219 -0.003415 -0.539655 -0.236658 -0.302462 -0.366916 0.569289 -0.309674 -0.000080 -0.000350 0.000139 0.000123 0.000058 -0.000086 -0.000060 -0.000104 -0.000125 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 34.25 59.48 148.73 163.39 167.08 202.28 233.72 266.29 281.99 331.61 356.90 372.10 405.04 454.57 482.79 523.62 526.92 586.31 620.61 627.31 690.47 728.38 774.34 797.77 803.09 807.84 827.91 849.60 852.25 877.97 911.98 921.45 961.16 983.63 1000.84 1034.47 1038.64 1072.82 1076.19 1087.23 1172.88 1277.30 1379.57 1441.64 1444.37 1449.98 1489.46 1495.32 1499.14 1973.98 3158.52 3163.06 3244.27 3254.77 3263.36 3265.23 3272.03 3282.60 3283.86 3577.39 3614.02 3678.54 0.000182 0.000606 0.001484 0.000214 0.000239 0.001892 0.001008 0.000377 0.000593 0.000839 0.000345 0.001301 0.000821 0.001490 0.002476 0.005442 0.010600 0.003739 0.000031 0.000047 0.007913 0.007611 0.004790 0.007206 0.003255 0.001291 0.000480 0.000013 0.000005 0.002682 0.000045 0.000187 0.007386 0.002626 0.000199 0.000968 0.001084 0.000016 0.000054 0.001130 0.000035 0.000000 0.000521 0.000017 0.000191 0.000041 0.000055 0.000007 0.001542 0.002323 0.000111 0.000002 0.000011 0.000009 0.000032 0.000006 0.000010 0.000003 0.000005 0.000540 0.000700 0.000172 0.011756 0.006588 0.000727 0.024027 -0.005347 0.000467 0.003901 0.034086 0.017525 0.013832 0.004636 -0.001085 0.014246 0.003103 0.005108 -0.022236 0.036518 -0.007989 0.028267 -0.011857 -0.008289 -0.014880 0.006943 0.010380 0.013474 0.017144 0.010838 0.017357 0.005997 -0.022401 0.007363 -0.008310 -0.014887 0.026865 -0.018035 0.015951 0.018824 0.019266 0.009764 -0.032178 -0.021261 0.001561 0.019385 -0.006546 -0.045364 -0.044072 0.059131 0.001694 -0.063873 0.013059 0.079684 -0.048482 0.037100 0.003445 -0.001829 0.005258 -0.000465 -0.003080 0.004558 0.004045 0.015606 -0.076847 -0.041996 0.020312 0.053455 -0.065887 -0.056961 -0.007130 0.038660 -0.070893 0.046551 -0.003629 0.023337 -0.051613 0.006812 -0.022999 -0.023320 0.014783 -0.019591 0.007245 0.006622 -0.001894 -0.002976 -0.000609 -0.000281 0.002136 -0.000096 -0.033785 0.037103 -0.012808 -0.002552 -0.004931 0.003750 0.009791 -0.005849 0.007519 0.085463 0.008684 0.002552 -0.046117 0.018132 -0.013068 0.008725 -0.003562 0.010478 0.008549 0.006745 -0.029139 -0.021941 -0.021555 -0.011745 0.000604 0.001183 0.003752 -0.000609 0.004440 -0.005839 -0.004628 -0.007049 0.032541 0.001504 -0.004784 0.003124 0.000463 0.000324 -0.000288 0.008250 0.010070 0.018740 0.002396 -0.003251 0.000969 -0.009763 -0.005392 0.008187 -0.005187 -0.001804 -0.003300 0.002722 0.001135 -0.006770 -0.002102 0.000082 -0.001521 0.014372 0.036497 0.001763 -0.031159 -0.024485 -0.027426 0.004645 -0.002652 -0.009088 0.001202 0.000583 0.000103 -0.002288 -0.001598 0.001683 0.001448 0.001198 -0.002235 -0.001923 0.005252 -0.000735 0.000394 -0.000169 -0.002488 0.002368 0.002096 0.000616 0.000417 -0.001148 0.001395 -0.000393 -0.001246 -0.001758 -0.004609 -0.022778 -0.000494 0.019498 0.000691 0.017861 -0.008248 0.006780 -0.007583 171.966 AuxInfo=1/0/N:1,2,5,3,4;7,9,8;11;10;6/E:(1,2,3,4,5);(1,2);;;/CRV:1.3,2.3,3.3,4.3,5.3;1.3,2.3,3.2;1-1;1.1;/rA:23nCCC3CCTiCC2C3N2NHHHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s4s5;s6;s7;s8;s6;s6;s3;s2;s4;s5;s1;s7;s10;s11;s11;s7;s9;s9;/rC:.6719,-1.5979,-.2482;.8218,-1.3748,1.139;1.7588,-.3268,1.3235;2.1791,.1041,.0451;1.5022,-.6741,-.9283;-.1665,.5955,.1251;-1.6891,.461,1.9331;-2.368,-.1933,.9779;-3.218,-1.0147,.4059;-1.3642,.6423,-1.073;.2868,2.412,.4421;2.0816,.0858,2.2788;.3066,-1.9241,1.9272;2.8781,.9127,-.1633;1.594,-.5719,-2.0085;.008,-2.3241,-.7132;-1.1268,-.0946,2.6882;-2.0889,.5017,-1.7749;1.1157,2.7677,.91;-.2183,3.1843,.0175;-1.8161,1.5376,2.0759;-4.0733,-1.3714,.9904;-3.105,-1.3587,-.6219;/R:/0/N:9,8,7,3,2,4,1,5,10,11,6/E:(5,6)(7,8)/CRV:1.3,2.2,4.3,9.2,11.7 -1269.92130795 833.37204089 -2103.29334884 -3390.13696938 1286.84362055 -2533.93727639 1264.01596844 2.00467189 47.999996517362 47.999996517362 95.999993034723 -74.619720514525 -3.392591325953 -78.012311840478 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 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 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 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 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 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 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 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 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 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 -4873.0343 -543.5549 -453.4538 -453.4397 -453.3754 -390.1694 -390.1166 -280.0437 -278.9842 -278.9458 -278.5094 -278.4658 -278.4085 -278.3960 -278.3704 -64.7287 -40.4402 -40.2067 -40.1738 -24.3487 -22.4737 -21.6760 -20.0731 -19.7968 -19.5084 -19.4701 -14.9346 -14.9203 -14.7952 -14.5674 -12.9680 -12.8088 -12.6804 -12.4026 -11.2716 -10.9845 -10.9260 -10.4700 -10.4565 -10.3989 -9.4748 -8.6720 -8.1513 -7.1153 -7.0117 -6.5807 -6.4844 -6.3085 -0.8649 -0.2396 0.1769 0.5955 0.7463 0.8021 0.9975 1.7002 2.1640 2.3543 2.6802 2.8873 3.0100 3.4254 3.8783 3.9580 4.1002 4.2661 4.8741 5.1231 5.3179 5.7266 6.5444 6.7158 6.7431 7.6825 8.0237 8.5266 8.6191 9.1572 9.4917 10.1570 11.2035 12.0901 12.3854 12.6660 13.0884 13.2163 13.3096 13.6551 13.9344 14.0796 14.7497 15.8562 15.9501 16.6649 17.1327 17.2859 17.4672 17.8313 17.9777 18.2182 18.5285 18.7125 18.8754 19.0694 19.3876 19.5085 19.7307 19.9647 20.3820 20.7053 20.7214 21.5490 21.5856 21.8202 21.9502 22.6660 22.8192 23.1380 23.2306 23.8890 24.1828 24.3657 24.9820 25.5951 25.8488 26.7086 27.9363 28.1038 28.5141 29.1156 29.3962 29.7773 29.8614 30.7194 32.6036 33.2265 33.9213 34.7402 35.0363 35.0952 35.2653 36.0982 36.6717 37.4577 38.2118 38.7210 40.1592 41.0450 41.1900 42.1716 42.7601 43.3425 44.2841 44.6940 45.2231 45.3154 45.5522 45.9080 46.6577 46.9085 47.3834 47.6389 47.8190 48.4668 48.7585 49.1280 49.2617 49.8463 50.1518 50.6188 50.7257 51.1590 51.2907 51.9360 52.4424 53.0848 53.5078 53.9246 54.4207 54.7191 55.1991 55.9389 56.3336 56.5758 56.7994 57.1588 57.8753 58.8849 59.7814 60.3456 60.5338 60.9406 61.0563 61.2886 61.3429 61.8963 62.6861 63.3284 63.7433 64.3258 64.3905 64.8718 68.3310 68.4151 69.1153 69.1524 69.4103 71.1095 71.2354 71.8749 73.1597 73.1873 74.1273 75.3501 75.5222 75.7344 77.0191 77.4254 77.5962 77.8342 79.9039 80.6248 84.1123 85.8983 86.1439 86.8288 89.3504 91.9901 94.1669 94.2110 95.0074 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C Ti C C C N N H H H H H H H H H H H H -0.019105 -0.082581 -0.031613 -0.038717 -0.046341 0.448023 -0.085294 0.018982 -0.162670 -0.460816 -0.409548 0.025886 0.030098 0.030878 0.039327 0.028318 0.099707 0.116636 0.111983 0.128021 0.104506 0.081302 0.073016 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C Ti C C C N N H H H H H H H H H H H H -0.040260 -0.046628 -0.061558 -0.031766 -0.038703 0.035714 -0.093700 0.091260 -0.083241 -0.121399 -0.157973 0.032739 0.031547 0.034654 0.039307 0.035785 0.057387 0.040674 0.052795 0.062446 0.063607 0.051909 0.045406 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 C C C C C Ti C C C N N H H H H H H H H H H H H 6.0191 6.0826 6.0316 6.0387 6.0463 21.5520 6.0853 5.9810 6.1627 7.4608 7.4095 0.9741 0.9699 0.9691 0.9607 0.9717 0.9003 0.8834 0.8880 0.8720 0.8955 0.9187 0.9270 6.0000 6.0000 6.0000 6.0000 6.0000 22.0000 6.0000 6.0000 6.0000 7.0000 7.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0191 -0.0826 -0.0316 -0.0387 -0.0463 0.4480 -0.0853 0.0190 -0.1627 -0.4608 -0.4095 0.0259 0.0301 0.0309 0.0393 0.0283 0.0997 0.1166 0.1120 0.1280 0.1045 0.0813 0.0730 3.7795 3.7683 3.7471 3.7933 3.7935 5.5448 3.7808 4.1374 3.9425 3.2063 3.2066 0.9917 0.9909 0.9978 0.9931 0.9977 0.9841 0.9920 0.9870 0.9825 1.0059 0.9803 0.9990 3.7795 3.7683 3.7471 3.7933 3.7935 5.5448 3.7808 4.1374 3.9425 3.2063 3.2066 0.9917 0.9909 0.9978 0.9931 0.9977 0.9841 0.9920 0.9870 0.9825 1.0059 0.9803 0.9990 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 1.2034 1.2017 0.3042 1.0097 1.1937 0.3340 1.0165 1.2308 0.2601 1.0106 1.1891 0.3151 1.0131 0.3482 1.0114 0.3996 0.2509 1.9105 1.2011 1.5508 0.9174 0.8899 2.0257 0.1883 0.9356 0.9168 0.9361 0.9510 0.9539 0 1 0 4 0 5 0 15 1 2 1 5 1 12 2 3 2 5 2 11 3 4 3 5 3 13 4 5 4 14 5 6 5 7 5 9 5 10 6 7 6 16 6 20 7 8 7 9 8 21 8 22 9 17 10 18 10 19 -0.025837395 -1269.947145342005 -2.25819 1.78806 -0.47014 -1.60423 1.56522 -0.03902 2.37168 -1.95462 0.41706 0.62967 1.60050 298.15 1.00 184.10 -1269.94714534 0.18139762 0.00952247 0.00141627 0.00141627 -1269.75339272 0.01235501 0.18139762 0.19375263 -1269.75339272 0.00094421 -1269.75244851 0.00000000 0.01604609 0.01432992 0.01973559 0.05011160 -1269.75244851 -0.05011160 -1269.80256011 0.14458523