420 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 18.900000 0.000000 0.000000 }, { 0.000000 18.900000 0.000000 }, { 0.000000 0.000000 33.561000 }] Cu 17.957268 9.731988 26.190333 0.881763 Cu 10.392732 18.618012 26.190333 0.881747 Cu 18.618012 17.957268 26.190333 0.881773 Cu 9.731988 10.392732 26.190333 0.881765 Cu 0.942732 0.281988 24.151167 0.881748 Cu 8.507268 9.168012 24.151167 0.881752 Cu 0.281988 8.507268 24.151167 0.881758 Cu 9.168012 0.942732 24.151167 0.881759 Cu 0.942732 9.168012 7.370667 0.881767 Cu 8.507268 0.281988 7.370667 0.881753 Cu 0.281988 0.942732 7.370667 0.881764 Cu 9.168012 8.507268 7.370667 0.881777 Cu 17.957268 18.618012 9.409833 0.881755 Cu 10.392732 9.731988 9.409833 0.881763 Cu 18.618012 10.392732 9.409833 0.881765 Cu 9.731988 17.957268 9.409833 0.881771 H 14.844060 2.611980 32.030618 0.114825 H 16.227540 2.457000 30.214968 0.115802 H 17.597790 6.167070 30.909681 0.115007 H 16.255890 6.308820 32.765604 0.110695 H 17.945550 2.354940 28.778558 0.122770 H 0.181440 4.367790 25.546633 0.126840 H 17.533530 6.327720 28.677875 0.124070 H 13.505940 6.838020 32.030618 0.114825 H 12.122460 6.993000 30.214968 0.115802 H 10.752210 3.282930 30.909681 0.115007 H 12.094110 3.141180 32.765604 0.110695 H 10.404450 7.095060 28.778558 0.122770 H 9.268560 5.082210 25.546633 0.126840 H 10.816470 3.122280 28.677875 0.124070 H 6.838020 14.844060 32.030618 0.114825 H 6.993000 16.227540 30.214968 0.115802 H 3.282930 17.597790 30.909681 0.115007 H 3.141180 16.255890 32.765604 0.110696 H 7.095060 17.945550 28.778558 0.122770 H 5.082210 0.181440 25.546633 0.126840 H 3.122280 17.533530 28.677875 0.124070 H 2.611980 13.505940 32.030618 0.114825 H 2.457000 12.122460 30.214968 0.115802 H 6.167070 10.752210 30.909681 0.115007 H 6.308820 12.094110 32.765604 0.110695 H 2.354940 10.404450 28.778558 0.122770 H 4.367790 9.268560 25.546633 0.126840 H 6.327720 10.816470 28.677875 0.124070 H 4.055940 12.061980 18.310882 0.114825 H 2.672460 11.907000 20.126532 0.115802 H 1.302210 15.617070 19.431819 0.115007 H 2.644110 15.758820 17.575896 0.110695 H 0.954450 11.804940 21.562943 0.122770 H 18.718560 13.817790 24.794867 0.126841 H 1.366470 15.777720 21.663626 0.124070 H 5.394060 16.288020 18.310882 0.114825 H 6.777540 16.443000 20.126532 0.115802 H 8.147790 12.732930 19.431819 0.115007 H 6.805890 12.591180 17.575896 0.110695 H 8.495550 16.545060 21.562943 0.122770 H 9.631440 14.532210 24.794867 0.126840 H 8.083530 12.572280 21.663626 0.124070 H 12.061980 5.394060 18.310882 0.114825 H 11.907000 6.777540 20.126532 0.115802 H 15.617070 8.147790 19.431819 0.115007 H 15.758820 6.805890 17.575896 0.110695 H 11.804940 8.495550 21.562943 0.122770 H 13.817790 9.631440 24.794867 0.126841 H 15.777720 8.083530 21.663626 0.124070 H 16.288020 4.055940 18.310882 0.114825 H 16.443000 2.672460 20.126532 0.115802 H 12.732930 1.302210 19.431819 0.115007 H 12.591180 2.644110 17.575896 0.110695 H 16.545060 0.954450 21.562943 0.122770 H 14.532210 18.718560 24.794867 0.126840 H 12.572280 1.366470 21.663626 0.124070 H 4.055940 16.288020 1.530382 0.114825 H 2.672460 16.443000 3.346032 0.115802 H 1.302210 12.732930 2.651319 0.115007 H 2.644110 12.591180 0.795396 0.110695 H 0.954450 16.545060 4.782442 0.122770 H 18.718560 14.532210 8.014367 0.126840 H 1.366470 12.572280 4.883126 0.124070 H 5.394060 12.061980 1.530382 0.114825 H 6.777540 11.907000 3.346032 0.115802 H 8.147790 15.617070 2.651319 0.115007 H 6.805890 15.758820 0.795396 0.110695 H 8.495550 11.804940 4.782442 0.122770 H 9.631440 13.817790 8.014367 0.126840 H 8.083530 15.777720 4.883126 0.124070 H 12.061980 4.055940 1.530382 0.114825 H 11.907000 2.672460 3.346032 0.115802 H 15.617070 1.302210 2.651319 0.115007 H 15.758820 2.644110 0.795396 0.110695 H 11.804940 0.954450 4.782442 0.122770 H 13.817790 18.718560 8.014367 0.126840 H 15.777720 1.366470 4.883126 0.124070 H 16.288020 5.394060 1.530382 0.114825 H 16.443000 6.777540 3.346032 0.115802 H 12.732930 8.147790 2.651319 0.115007 H 12.591180 6.805890 0.795396 0.110695 H 16.545060 8.495550 4.782442 0.122770 H 14.532210 9.631440 8.014367 0.126841 H 12.572280 8.083530 4.883126 0.124070 H 14.844060 6.838020 15.250118 0.114825 H 16.227540 6.993000 13.434468 0.115802 H 17.597790 3.282930 14.129181 0.115007 H 16.255890 3.141180 15.985104 0.110695 H 17.945550 7.095060 11.998057 0.122770 H 0.181440 5.082210 8.766133 0.126841 H 17.533530 3.122280 11.897375 0.124070 H 13.505940 2.611980 15.250118 0.114825 H 12.122460 2.457000 13.434468 0.115802 H 10.752210 6.167070 14.129181 0.115007 H 12.094110 6.308820 15.985104 0.110695 H 10.404450 2.354940 11.998057 0.122770 H 9.268560 4.367790 8.766133 0.126840 H 10.816470 6.327720 11.897375 0.124070 H 6.838020 13.505940 15.250118 0.114825 H 6.993000 12.122460 13.434468 0.115802 H 3.282930 10.752210 14.129181 0.115007 H 3.141180 12.094110 15.985104 0.110695 H 7.095060 10.404450 11.998057 0.122770 H 5.082210 9.268560 8.766133 0.126841 H 3.122280 10.816470 11.897375 0.124070 H 2.611980 14.844060 15.250118 0.114825 H 2.457000 16.227540 13.434468 0.115802 H 6.167070 17.597790 14.129181 0.115007 H 6.308820 16.255890 15.985104 0.110695 H 2.354940 17.945550 11.998057 0.122770 H 4.367790 0.181440 8.766133 0.126840 H 6.327720 17.533530 11.897375 0.124070 C 15.335460 4.505760 32.591087 0.073624 C 15.378930 3.339630 31.801061 -0.143502 C 16.197300 3.252690 30.693884 -0.133602 C 16.985430 4.335660 30.272358 0.066064 C 17.021340 5.463990 31.112389 -0.136878 C 16.214310 5.547150 32.235005 -0.153453 C 17.652600 4.320540 28.960794 0.078557 C 18.034380 3.161970 28.328504 -0.146567 C 18.554130 3.154410 27.037748 -0.003150 C 18.703440 4.362120 26.396062 -0.119603 C 18.319770 5.573610 26.962572 -0.009940 C 17.792460 5.533920 28.266081 -0.144653 C -0.035910 1.876770 26.344714 0.597467 C 18.395370 6.856920 26.235305 0.600689 C 13.014540 4.944240 32.591087 0.073624 C 12.971070 6.110370 31.801061 -0.143502 C 12.152700 6.197310 30.693884 -0.133602 C 11.364570 5.114340 30.272358 0.066064 C 11.328660 3.986010 31.112389 -0.136878 C 12.135690 3.902850 32.235005 -0.153453 C 10.697400 5.129460 28.960794 0.078557 C 10.315620 6.288030 28.328504 -0.146567 C 9.795870 6.295590 27.037748 -0.003150 C 9.646560 5.087880 26.396062 -0.119603 C 10.030230 3.876390 26.962572 -0.009940 C 10.557540 3.916080 28.266081 -0.144653 C 9.485910 7.573230 26.344714 0.597466 C 9.954630 2.593080 26.235305 0.600689 C 4.944240 15.335460 32.591087 0.073624 C 6.110370 15.378930 31.801061 -0.143502 C 6.197310 16.197300 30.693884 -0.133601 C 5.114340 16.985430 30.272358 0.066064 C 3.986010 17.021340 31.112389 -0.136878 C 3.902850 16.214310 32.235005 -0.153453 C 5.129460 17.652600 28.960794 0.078557 C 6.288030 18.034380 28.328504 -0.146567 C 6.295590 18.554130 27.037748 -0.003150 C 5.087880 18.703440 26.396062 -0.119603 C 3.876390 18.319770 26.962572 -0.009940 C 3.916080 17.792460 28.266081 -0.144653 C 7.573230 -0.035910 26.344714 0.597466 C 2.593080 18.395370 26.235305 0.600690 C 4.505760 13.014540 32.591087 0.073624 C 3.339630 12.971070 31.801061 -0.143502 C 3.252690 12.152700 30.693884 -0.133602 C 4.335660 11.364570 30.272358 0.066064 C 5.463990 11.328660 31.112389 -0.136879 C 5.547150 12.135690 32.235005 -0.153453 C 4.320540 10.697400 28.960794 0.078557 C 3.161970 10.315620 28.328504 -0.146567 C 3.154410 9.795870 27.037748 -0.003150 C 4.362120 9.646560 26.396062 -0.119604 C 5.573610 10.030230 26.962572 -0.009940 C 5.533920 10.557540 28.266081 -0.144654 C 1.876770 9.485910 26.344714 0.597467 C 6.856920 9.954630 26.235305 0.600689 C 3.564540 13.955760 17.750413 0.073624 C 3.521070 12.789630 18.540439 -0.143502 C 2.702700 12.702690 19.647616 -0.133601 C 1.914570 13.785660 20.069142 0.066064 C 1.878660 14.913990 19.229111 -0.136878 C 2.685690 14.997150 18.106495 -0.153453 C 1.247400 13.770540 21.380706 0.078557 C 0.865620 12.611970 22.012996 -0.146567 C 0.345870 12.604410 23.303752 -0.003150 C 0.196560 13.812120 23.945438 -0.119603 C 0.580230 15.023610 23.378928 -0.009940 C 1.107540 14.983920 22.075419 -0.144654 C 0.035910 11.326770 23.996786 0.597467 C 0.504630 16.306920 24.106195 0.600689 C 5.885460 14.394240 17.750413 0.073624 C 5.928930 15.560370 18.540439 -0.143502 C 6.747300 15.647310 19.647616 -0.133602 C 7.535430 14.564340 20.069142 0.066064 C 7.571340 13.436010 19.229111 -0.136878 C 6.764310 13.352850 18.106495 -0.153453 C 8.202600 14.579460 21.380706 0.078557 C 8.584380 15.738030 22.012996 -0.146567 C 9.104130 15.745590 23.303752 -0.003150 C 9.253440 14.537880 23.945438 -0.119603 C 8.869770 13.326390 23.378928 -0.009940 C 8.342460 13.366080 22.075419 -0.144654 C 9.414090 17.023230 23.996786 0.597466 C 8.945370 12.043080 24.106195 0.600689 C 13.955760 5.885460 17.750413 0.073624 C 12.789630 5.928930 18.540439 -0.143502 C 12.702690 6.747300 19.647616 -0.133602 C 13.785660 7.535430 20.069142 0.066064 C 14.913990 7.571340 19.229111 -0.136878 C 14.997150 6.764310 18.106495 -0.153453 C 13.770540 8.202600 21.380706 0.078557 C 12.611970 8.584380 22.012996 -0.146567 C 12.604410 9.104130 23.303752 -0.003150 C 13.812120 9.253440 23.945438 -0.119603 C 15.023610 8.869770 23.378928 -0.009940 C 14.983920 8.342460 22.075419 -0.144653 C 11.326770 9.414090 23.996786 0.597467 C 16.306920 8.945370 24.106195 0.600689 C 14.394240 3.564540 17.750413 0.073624 C 15.560370 3.521070 18.540439 -0.143502 C 15.647310 2.702700 19.647616 -0.133602 C 14.564340 1.914570 20.069142 0.066064 C 13.436010 1.878660 19.229111 -0.136878 C 13.352850 2.685690 18.106495 -0.153452 C 14.579460 1.247400 21.380706 0.078557 C 15.738030 0.865620 22.012996 -0.146567 C 15.745590 0.345870 23.303752 -0.003150 C 14.537880 0.196560 23.945438 -0.119603 C 13.326390 0.580230 23.378928 -0.009940 C 13.366080 1.107540 22.075419 -0.144653 C 17.023230 0.035910 23.996786 0.597467 C 12.043080 0.504630 24.106195 0.600689 C 3.564540 14.394240 0.969913 0.073624 C 3.521070 15.560370 1.759939 -0.143502 C 2.702700 15.647310 2.867116 -0.133602 C 1.914570 14.564340 3.288642 0.066064 C 1.878660 13.436010 2.448611 -0.136878 C 2.685690 13.352850 1.325995 -0.153453 C 1.247400 14.579460 4.600206 0.078557 C 0.865620 15.738030 5.232496 -0.146567 C 0.345870 15.745590 6.523252 -0.003150 C 0.196560 14.537880 7.164938 -0.119603 C 0.580230 13.326390 6.598428 -0.009940 C 1.107540 13.366080 5.294919 -0.144654 C 0.035910 17.023230 7.216286 0.597466 C 0.504630 12.043080 7.325695 0.600690 C 5.885460 13.955760 0.969913 0.073624 C 5.928930 12.789630 1.759939 -0.143502 C 6.747300 12.702690 2.867116 -0.133602 C 7.535430 13.785660 3.288642 0.066064 C 7.571340 14.913990 2.448611 -0.136878 C 6.764310 14.997150 1.325995 -0.153453 C 8.202600 13.770540 4.600206 0.078557 C 8.584380 12.611970 5.232496 -0.146567 C 9.104130 12.604410 6.523252 -0.003150 C 9.253440 13.812120 7.164938 -0.119603 C 8.869770 15.023610 6.598428 -0.009940 C 8.342460 14.983920 5.294919 -0.144654 C 9.414090 11.326770 7.216286 0.597467 C 8.945370 16.306920 7.325695 0.600689 C 13.955760 3.564540 0.969913 0.073625 C 12.789630 3.521070 1.759939 -0.143502 C 12.702690 2.702700 2.867116 -0.133601 C 13.785660 1.914570 3.288642 0.066064 C 14.913990 1.878660 2.448611 -0.136879 C 14.997150 2.685690 1.325995 -0.153453 C 13.770540 1.247400 4.600206 0.078557 C 12.611970 0.865620 5.232496 -0.146567 C 12.604410 0.345870 6.523252 -0.003150 C 13.812120 0.196560 7.164938 -0.119603 C 15.023610 0.580230 6.598428 -0.009940 C 14.983920 1.107540 5.294919 -0.144653 C 11.326770 0.035910 7.216286 0.597467 C 16.306920 0.504630 7.325695 0.600689 C 14.394240 5.885460 0.969913 0.073624 C 15.560370 5.928930 1.759939 -0.143502 C 15.647310 6.747300 2.867116 -0.133601 C 14.564340 7.535430 3.288642 0.066064 C 13.436010 7.571340 2.448611 -0.136879 C 13.352850 6.764310 1.325995 -0.153453 C 14.579460 8.202600 4.600206 0.078557 C 15.738030 8.584380 5.232496 -0.146567 C 15.745590 9.104130 6.523252 -0.003150 C 14.537880 9.253440 7.164938 -0.119604 C 13.326390 8.869770 6.598428 -0.009940 C 13.366080 8.342460 5.294919 -0.144654 C 17.023230 9.414090 7.216286 0.597467 C 12.043080 8.945370 7.325695 0.600690 C 15.335460 4.944240 15.810587 0.073624 C 15.378930 6.110370 15.020561 -0.143502 C 16.197300 6.197310 13.913384 -0.133602 C 16.985430 5.114340 13.491858 0.066064 C 17.021340 3.986010 14.331889 -0.136878 C 16.214310 3.902850 15.454505 -0.153453 C 17.652600 5.129460 12.180294 0.078557 C 18.034380 6.288030 11.548004 -0.146567 C 18.554130 6.295590 10.257248 -0.003150 C 18.703440 5.087880 9.615562 -0.119603 C 18.319770 3.876390 10.182072 -0.009940 C 17.792460 3.916080 11.485581 -0.144653 C -0.035910 7.573230 9.564214 0.597467 C 18.395370 2.593080 9.454805 0.600689 C 13.014540 4.505760 15.810587 0.073624 C 12.971070 3.339630 15.020561 -0.143502 C 12.152700 3.252690 13.913384 -0.133601 C 11.364570 4.335660 13.491858 0.066064 C 11.328660 5.463990 14.331889 -0.136878 C 12.135690 5.547150 15.454505 -0.153453 C 10.697400 4.320540 12.180294 0.078557 C 10.315620 3.161970 11.548004 -0.146567 C 9.795870 3.154410 10.257248 -0.003150 C 9.646560 4.362120 9.615562 -0.119603 C 10.030230 5.573610 10.182072 -0.009940 C 10.557540 5.533920 11.485581 -0.144654 C 9.485910 1.876770 9.564214 0.597466 C 9.954630 6.856920 9.454805 0.600690 C 4.944240 13.014540 15.810587 0.073625 C 6.110370 12.971070 15.020561 -0.143502 C 6.197310 12.152700 13.913384 -0.133601 C 5.114340 11.364570 13.491858 0.066064 C 3.986010 11.328660 14.331889 -0.136878 C 3.902850 12.135690 15.454505 -0.153453 C 5.129460 10.697400 12.180294 0.078557 C 6.288030 10.315620 11.548004 -0.146567 C 6.295590 9.795870 10.257248 -0.003150 C 5.087880 9.646560 9.615562 -0.119603 C 3.876390 10.030230 10.182072 -0.009940 C 3.916080 10.557540 11.485581 -0.144654 C 7.573230 9.485910 9.564214 0.597467 C 2.593080 9.954630 9.454805 0.600690 C 4.505760 15.335460 15.810587 0.073624 C 3.339630 15.378930 15.020561 -0.143502 C 3.252690 16.197300 13.913384 -0.133601 C 4.335660 16.985430 13.491858 0.066064 C 5.463990 17.021340 14.331889 -0.136878 C 5.547150 16.214310 15.454505 -0.153453 C 4.320540 17.652600 12.180294 0.078557 C 3.161970 18.034380 11.548004 -0.146567 C 3.154410 18.554130 10.257248 -0.003150 C 4.362120 18.703440 9.615562 -0.119603 C 5.573610 18.319770 10.182072 -0.009940 C 5.533920 17.792460 11.485581 -0.144653 C 1.876770 -0.035910 9.564214 0.597467 C 6.856920 18.395370 9.454805 0.600689 C 14.175000 4.725000 0.000000 -0.013192 C 4.725000 14.175000 0.000000 -0.013192 C 4.725000 14.175000 16.780500 -0.013192 C 14.175000 4.725000 16.780500 -0.013192 O 17.845947 7.852194 26.784027 -0.538156 O 0.103383 6.858621 25.117388 -0.526149 O 0.488565 1.902474 25.212366 -0.518576 O 18.517464 0.805518 26.996133 -0.550644 O 10.504053 1.597806 26.784027 -0.538152 O 9.346617 2.591379 25.117388 -0.526150 O 8.961435 7.547526 25.212366 -0.518577 O 9.832536 8.644482 26.996133 -0.550642 O 1.597806 17.845947 26.784027 -0.538160 O 2.591379 0.103383 25.117388 -0.526147 O 7.547526 0.488565 25.212366 -0.518579 O 8.644482 18.517464 26.996133 -0.550636 O 7.852194 10.504053 26.784027 -0.538158 O 6.858621 9.346617 25.117388 -0.526148 O 1.902474 8.961435 25.212366 -0.518579 O 0.805518 9.832536 26.996133 -0.550641 O 1.054053 17.302194 23.557473 -0.538153 O 18.796617 16.308621 25.224112 -0.526154 O 18.411435 11.352474 25.129134 -0.518580 O 0.382536 10.255518 23.345367 -0.550639 O 8.395947 11.047806 23.557473 -0.538154 O 9.553383 12.041379 25.224112 -0.526152 O 9.938565 16.997526 25.129134 -0.518576 O 9.067464 18.094482 23.345367 -0.550640 O 17.302194 8.395947 23.557473 -0.538155 O 16.308621 9.553383 25.224112 -0.526151 O 11.352474 9.938565 25.129134 -0.518581 O 10.255518 9.067464 23.345367 -0.550638 O 11.047806 1.054053 23.557473 -0.538156 O 12.041379 18.796617 25.224112 -0.526147 O 16.997526 18.411435 25.129134 -0.518583 O 18.094482 0.382536 23.345367 -0.550637 O 1.054053 11.047806 6.776973 -0.538158 O 18.796617 12.041379 8.443612 -0.526152 O 18.411435 16.997526 8.348634 -0.518579 O 0.382536 18.094482 6.564867 -0.550642 O 8.395947 17.302194 6.776973 -0.538154 O 9.553383 16.308621 8.443612 -0.526153 O 9.938565 11.352474 8.348634 -0.518580 O 9.067464 10.255518 6.564867 -0.550645 O 17.302194 1.054053 6.776973 -0.538157 O 16.308621 18.796617 8.443612 -0.526149 O 11.352474 18.411435 8.348634 -0.518582 O 10.255518 0.382536 6.564867 -0.550638 O 11.047806 8.395947 6.776973 -0.538160 O 12.041379 9.553383 8.443612 -0.526151 O 16.997526 9.938565 8.348634 -0.518581 O 18.094482 9.067464 6.564867 -0.550642 O 17.845947 1.597806 10.003527 -0.538155 O 0.103383 2.591379 8.336888 -0.526152 O 0.488565 7.547526 8.431866 -0.518581 O 18.517464 8.644482 10.215633 -0.550641 O 10.504053 7.852194 10.003527 -0.538157 O 9.346617 6.858621 8.336888 -0.526155 O 8.961435 1.902474 8.431866 -0.518578 O 9.832536 0.805518 10.215633 -0.550643 O 1.597806 10.504053 10.003527 -0.538157 O 2.591379 9.346617 8.336888 -0.526152 O 7.547526 8.961435 8.431866 -0.518584 O 8.644482 9.832536 10.215633 -0.550641 O 7.852194 17.845947 10.003527 -0.538159 O 6.858621 0.103383 8.336888 -0.526148 O 1.902474 0.488565 8.431866 -0.518581 O 0.805518 18.517464 10.215633 -0.550639 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cu 17.957268 9.731988 26.190333 0.881763 49.605769 0.72637464E+03 0.18193870E+05 11.780409 9.304145 1.119072 2.294208 0.996772 39.485711 94.762898 0.547165 0.446914 -1.115753 -0.062891 0.064082 0.111929 0.143492 0.037645 0.060385 -0.065308 -0.019091 -0.143534 -0.121348 0.051052 0.070296 15.590964 18.450420 3.591941 4.626380 16.244101 -3.432600 12.078371 0.713306 2 Cu 10.392732 18.618012 26.190333 0.881747 49.606770 0.72639198E+03 0.18194431E+05 11.780620 9.304303 1.119002 2.294185 0.996772 39.485862 94.763886 0.547155 0.446918 -1.115749 0.062892 -0.064084 0.111933 0.143496 0.037643 -0.060381 0.065304 -0.019092 -0.143522 -0.121340 0.051048 0.070292 15.591259 18.450772 3.592021 -4.626472 16.244412 3.432670 12.078593 0.713298 3 Cu 18.618012 17.957268 26.190333 0.881773 49.605076 0.72636275E+03 0.18193485E+05 11.780258 9.304032 1.119124 2.294226 0.996772 39.485629 94.762250 0.547172 0.446910 -1.115756 -0.064080 -0.062889 0.111926 0.143488 -0.037647 0.065312 0.060388 0.019091 -0.143541 -0.121355 0.051055 0.070299 15.590752 16.243877 -3.591883 3.432548 18.450165 4.626314 12.078212 0.713310 4 Cu 9.731988 10.392732 26.190333 0.881765 49.605620 0.72637205E+03 0.18193786E+05 11.780374 9.304118 1.119085 2.294213 0.996772 39.485703 94.762769 0.547167 0.446913 -1.115754 0.064081 0.062890 0.111928 0.143490 -0.037646 -0.065309 -0.060386 0.019091 -0.143536 -0.121350 0.051053 0.070297 15.590915 16.244050 -3.591928 -3.432588 18.450362 -4.626365 12.078335 0.713307 5 Cu 0.942732 0.281988 24.151167 0.881748 49.606834 0.72639279E+03 0.18194455E+05 11.780627 9.304305 1.119008 2.294186 0.996772 39.485895 94.763963 0.547156 0.446918 -1.115750 0.062892 0.064084 -0.111933 0.143496 -0.037644 0.060382 0.065306 -0.019091 -0.143525 -0.121343 0.051049 0.070294 15.591273 18.450791 -3.592026 4.626479 16.244427 3.432675 12.078601 0.713298 6 Cu 8.507268 9.168012 24.151167 0.881752 49.606480 0.72638683E+03 0.18194263E+05 11.780555 9.304253 1.119027 2.294193 0.996772 39.485832 94.763610 0.547159 0.446916 -1.115751 -0.062892 -0.064083 -0.111931 0.143494 -0.037644 -0.060383 -0.065306 -0.019091 -0.143528 -0.121344 0.051050 0.070294 15.591170 18.450667 -3.591998 -4.626446 16.244319 -3.432650 12.078525 0.713300 7 Cu 0.281988 8.507268 24.151167 0.881758 49.606085 0.72638001E+03 0.18194044E+05 11.780475 9.304194 1.119051 2.294201 0.996772 39.485758 94.763203 0.547162 0.446915 -1.115752 0.064083 -0.062891 -0.111930 0.143493 0.037645 0.065308 -0.060384 0.019091 -0.143531 -0.121346 0.051051 0.070295 15.591058 16.244201 3.591967 3.432623 18.450532 -4.626410 12.078441 0.713303 8 Cu 9.168012 0.942732 24.151167 0.881759 49.605940 0.72637766E+03 0.18193968E+05 11.780445 9.304173 1.119057 2.294204 0.996772 39.485734 94.763066 0.547163 0.446914 -1.115752 -0.064082 0.062890 -0.111929 0.143492 0.037645 -0.065307 0.060384 0.019091 -0.143530 -0.121346 0.051051 0.070295 15.591014 16.244153 3.591954 -3.432610 18.450480 4.626395 12.078409 0.713304 9 Cu 0.942732 9.168012 7.370667 0.881767 49.605564 0.72637091E+03 0.18193748E+05 11.780359 9.304105 1.119095 2.294216 0.996772 39.485706 94.762720 0.547168 0.446912 -1.115754 0.062890 -0.064081 -0.111928 0.143490 0.037647 0.060387 -0.065310 -0.019091 -0.143538 -0.121352 0.051054 0.070298 15.590897 18.450340 3.591924 4.626361 16.244032 -3.432585 12.078319 0.713307 10 Cu 8.507268 0.281988 7.370667 0.881753 49.606512 0.72638726E+03 0.18194277E+05 11.780559 9.304255 1.119030 2.294194 0.996772 39.485845 94.763646 0.547159 0.446916 -1.115751 -0.062892 0.064083 -0.111931 0.143495 0.037644 -0.060383 0.065307 -0.019091 -0.143529 -0.121345 0.051050 0.070295 15.591178 18.450678 3.592001 -4.626450 16.244327 3.432652 12.078530 0.713302 11 Cu 0.281988 0.942732 7.370667 0.881764 49.605724 0.72637379E+03 0.18193841E+05 11.780393 9.304132 1.119081 2.294211 0.996772 39.485731 94.762885 0.547166 0.446913 -1.115754 0.064081 0.062890 -0.111928 0.143490 -0.037646 0.065309 0.060386 0.019091 -0.143535 -0.121350 0.051053 0.070297 15.590943 16.244079 -3.591935 3.432595 18.450395 4.626374 12.078354 0.713306 12 Cu 9.168012 8.507268 7.370667 0.881777 49.604950 0.72636028E+03 0.18193404E+05 11.780228 9.304007 1.119140 2.294230 0.996772 39.485623 94.762128 0.547173 0.446909 -1.115757 -0.064080 -0.062888 -0.111926 0.143487 -0.037648 -0.065313 -0.060390 0.019091 -0.143545 -0.121358 0.051057 0.070300 15.590713 16.243837 -3.591875 -3.432541 18.450121 -4.626304 12.078182 0.713311 13 Cu 17.957268 18.618012 9.409833 0.881755 49.606362 0.72638471E+03 0.18194194E+05 11.780526 9.304231 1.119040 2.294197 0.996772 39.485829 94.763510 0.547160 0.446916 -1.115751 -0.062891 -0.064083 0.111930 0.143493 -0.037645 0.060384 0.065307 -0.019091 -0.143530 -0.121346 0.051051 0.070295 15.591131 18.450622 -3.591987 4.626435 16.244277 3.432640 12.078495 0.713302 14 Cu 10.392732 9.731988 9.409833 0.881763 49.605922 0.72637692E+03 0.18193942E+05 11.780432 9.304158 1.119076 2.294209 0.996772 39.485771 94.763078 0.547165 0.446913 -1.115753 0.062890 0.064082 0.111929 0.143492 -0.037646 -0.060387 -0.065310 -0.019091 -0.143536 -0.121351 0.051054 0.070298 15.591001 18.450466 -3.591954 -4.626395 16.244141 -3.432611 12.078396 0.713304 15 Cu 18.618012 10.392732 9.409833 0.881765 49.605686 0.72637301E+03 0.18193816E+05 11.780387 9.304126 1.119086 2.294213 0.996772 39.485717 94.762830 0.547166 0.446913 -1.115754 -0.064082 0.062890 0.111929 0.143491 0.037647 0.065310 -0.060387 0.019091 -0.143536 -0.121351 0.051054 0.070298 15.590936 16.244073 3.591935 3.432595 18.450386 -4.626373 12.078348 0.713305 16 Cu 9.731988 17.957268 9.409833 0.881771 49.605278 0.72636602E+03 0.18193591E+05 11.780301 9.304062 1.119110 2.294221 0.996772 39.485654 94.762430 0.547170 0.446911 -1.115755 0.064081 -0.062889 0.111927 0.143488 0.037647 -0.065311 0.060388 0.019091 -0.143540 -0.121354 0.051055 0.070299 15.590815 16.243944 3.591901 -3.432564 18.450241 4.626334 12.078258 0.713310 17 H 14.844060 2.611980 32.030618 0.114825 1.210783 0.91829299E+01 0.92012776E+02 1.786759 1.703830 -1.025763 2.392517 0.997419 3.391209 9.161577 0.515628 1.185502 -0.732826 -0.020567 -0.031783 0.005436 0.038245 0.008162 -0.007918 0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.804852 0.324196 -0.286841 1.880126 -0.182657 1.812172 0.000002 18 H 16.227540 2.457000 30.214968 0.115802 1.078505 0.76547939E+01 0.72728572E+02 1.603557 1.515315 -0.821360 2.489792 0.999446 3.139994 8.055797 0.573101 1.124873 -0.748229 -0.000380 -0.034547 -0.016982 0.038497 0.007181 -0.009767 0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650360 1.396718 -0.082779 -0.227870 1.797411 0.392132 1.756950 -0.000014 19 H 17.597790 6.167070 30.909681 0.115007 1.118493 0.79855018E+01 0.76687453E+02 1.646544 1.551139 -0.833360 2.483458 0.999325 3.165165 8.167553 0.564487 1.129875 -0.747299 0.023972 0.030457 -0.005175 0.039103 0.012066 -0.008957 0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692994 1.718859 0.416335 -0.277308 1.714913 -0.140917 1.645211 -0.000008 20 H 16.255890 6.308820 32.765604 0.110695 1.212694 0.89970337E+01 0.89643677E+02 1.777565 1.676026 -1.056573 2.368129 0.997940 3.426885 9.216234 0.525040 1.170829 -0.735494 0.007662 0.033160 0.016456 0.037803 0.013030 -0.002866 0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848915 1.517718 0.035014 -0.170168 1.894761 0.485074 2.134267 0.000003 21 H 17.945550 2.354940 28.778558 0.122770 1.134522 0.84294847E+01 0.82943096E+02 1.725078 1.642166 -1.097232 2.365237 0.997120 3.376241 9.134874 0.518875 1.199677 -0.728288 -0.001891 -0.033108 0.018035 0.037749 -0.001116 -0.001587 -0.009956 -0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759287 1.448504 -0.071700 -0.191045 2.058287 -0.154242 1.771072 0.000298 22 H 0.181440 4.367790 25.546633 0.126840 1.113467 0.83199881E+01 0.81491851E+02 1.694672 1.624554 -1.140936 2.348086 0.996743 3.338418 8.973463 0.525700 1.189534 -0.730791 0.018624 0.000519 -0.037101 0.041517 0.000005 -0.008335 -0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713677 1.465696 -0.027219 -0.281995 1.708680 -0.002708 1.966655 0.000512 23 H 17.533530 6.327720 28.677875 0.124070 1.103055 0.82357679E+01 0.80757157E+02 1.703020 1.630693 -1.175514 2.328035 0.996419 3.416448 9.298886 0.515890 1.210798 -0.724902 -0.011529 0.033516 0.014609 0.038337 -0.003483 -0.003170 0.007397 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729379 1.405081 -0.098888 -0.204450 1.975363 0.116425 1.807694 0.000142 24 H 13.505940 6.838020 32.030618 0.114825 1.210782 0.91829271E+01 0.92012734E+02 1.786758 1.703829 -1.025763 2.392516 0.997419 3.391209 9.161574 0.515629 1.185501 -0.732827 0.020567 0.031783 0.005436 0.038245 0.008162 0.007918 -0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832382 1.804851 0.324196 0.286841 1.880125 0.182657 1.812171 0.000002 25 H 12.122460 6.993000 30.214968 0.115802 1.078505 0.76547963E+01 0.72728604E+02 1.603558 1.515315 -0.821360 2.489792 0.999446 3.139994 8.055799 0.573101 1.124873 -0.748228 0.000380 0.034547 -0.016982 0.038497 0.007181 0.009767 -0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.396718 -0.082779 0.227870 1.797412 -0.392133 1.756951 -0.000014 26 H 10.752210 3.282930 30.909681 0.115007 1.118493 0.79854992E+01 0.76687417E+02 1.646543 1.551138 -0.833360 2.483457 0.999325 3.165165 8.167551 0.564487 1.129874 -0.747299 -0.023972 -0.030457 -0.005175 0.039103 0.012066 0.008957 -0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692993 1.718858 0.416335 0.277308 1.714912 0.140917 1.645211 -0.000008 27 H 12.094110 3.141180 32.765604 0.110695 1.212694 0.89970353E+01 0.89643700E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216235 0.525040 1.170830 -0.735494 -0.007662 -0.033160 0.016456 0.037803 0.013030 0.002866 -0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.517718 0.035014 0.170168 1.894761 -0.485074 2.134268 0.000003 28 H 10.404450 7.095060 28.778558 0.122770 1.134524 0.84295021E+01 0.82943309E+02 1.725079 1.642167 -1.097234 2.365236 0.997120 3.376244 9.134884 0.518875 1.199676 -0.728288 0.001891 0.033108 0.018035 0.037749 -0.001116 0.001587 0.009956 -0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759289 1.448505 -0.071700 0.191046 2.058289 0.154243 1.771073 0.000297 29 H 9.268560 5.082210 25.546633 0.126840 1.113466 0.83199760E+01 0.81491699E+02 1.694671 1.624553 -1.140934 2.348087 0.996743 3.338416 8.973455 0.525700 1.189534 -0.730791 -0.018625 -0.000519 -0.037101 0.041517 0.000005 0.008335 0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713676 1.465695 -0.027219 0.281994 1.708678 0.002708 1.966654 0.000512 30 H 10.816470 3.122280 28.677875 0.124070 1.103058 0.82357971E+01 0.80757509E+02 1.703022 1.630695 -1.175517 2.328033 0.996419 3.416453 9.298901 0.515890 1.210797 -0.724902 0.011529 -0.033516 0.014609 0.038337 -0.003483 0.003170 -0.007398 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729382 1.405083 -0.098888 0.204450 1.975366 -0.116425 1.807696 0.000142 31 H 6.838020 14.844060 32.030618 0.114825 1.210783 0.91829335E+01 0.92012818E+02 1.786759 1.703830 -1.025764 2.392516 0.997419 3.391210 9.161579 0.515629 1.185502 -0.732827 0.031783 -0.020567 0.005436 0.038245 -0.008162 -0.007049 -0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.880126 -0.324196 0.182657 1.804852 -0.286841 1.812172 0.000002 32 H 6.993000 16.227540 30.214968 0.115802 1.078506 0.76548012E+01 0.72728662E+02 1.603558 1.515316 -0.821361 2.489791 0.999446 3.139995 8.055802 0.573101 1.124873 -0.748228 0.034547 -0.000380 -0.016982 0.038497 -0.007181 -0.005586 -0.009767 0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.797412 0.082779 -0.392133 1.396719 -0.227870 1.756952 -0.000014 33 H 3.282930 17.597790 30.909681 0.115007 1.118493 0.79855050E+01 0.76687488E+02 1.646544 1.551139 -0.833360 2.483457 0.999325 3.165166 8.167555 0.564487 1.129874 -0.747299 -0.030457 0.023972 -0.005175 0.039103 -0.012066 -0.007222 -0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692994 1.714913 -0.416335 0.140917 1.718859 -0.277308 1.645211 -0.000008 34 H 3.141180 16.255890 32.765604 0.110696 1.212694 0.89970302E+01 0.89643639E+02 1.777565 1.676026 -1.056572 2.368129 0.997940 3.426884 9.216233 0.525040 1.170830 -0.735494 -0.033160 0.007662 0.016456 0.037803 -0.013030 -0.004574 -0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848915 1.894761 -0.035014 -0.485074 1.517717 -0.170168 2.134267 0.000003 35 H 7.095060 17.945550 28.778558 0.122770 1.134527 0.84295328E+01 0.82943684E+02 1.725082 1.642170 -1.097238 2.365234 0.997120 3.376249 9.134901 0.518875 1.199676 -0.728288 0.033108 -0.001891 0.018035 0.037749 0.001116 0.009956 -0.001587 0.013149 0.005984 -0.008982 -0.004921 0.013903 1.759292 2.058293 0.071701 0.154243 1.448507 -0.191046 1.771077 0.000297 36 H 5.082210 0.181440 25.546633 0.126840 1.113467 0.83199829E+01 0.81491788E+02 1.694672 1.624553 -1.140935 2.348087 0.996743 3.338417 8.973460 0.525700 1.189534 -0.730791 -0.000518 0.018625 -0.037101 0.041517 -0.000005 0.000617 -0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713677 1.708679 0.027219 0.002708 1.465696 -0.281995 1.966655 0.000512 37 H 3.122280 17.533530 28.677875 0.124070 1.103053 0.82357495E+01 0.80756926E+02 1.703017 1.630691 -1.175511 2.328036 0.996419 3.416445 9.298873 0.515891 1.210798 -0.724902 -0.033516 -0.011529 0.014609 0.038337 0.003483 -0.007397 -0.003170 0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729377 1.975360 0.098888 -0.116425 1.405079 -0.204449 1.807691 0.000142 38 H 2.611980 13.505940 32.030618 0.114825 1.210783 0.91829299E+01 0.92012776E+02 1.786759 1.703830 -1.025763 2.392516 0.997419 3.391209 9.161577 0.515628 1.185502 -0.732826 -0.031783 0.020567 0.005436 0.038245 -0.008162 0.007049 0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.880126 -0.324196 -0.182657 1.804852 0.286841 1.812172 0.000002 39 H 2.457000 12.122460 30.214968 0.115802 1.078505 0.76547939E+01 0.72728572E+02 1.603557 1.515315 -0.821360 2.489792 0.999446 3.139994 8.055797 0.573101 1.124873 -0.748229 -0.034547 0.000380 -0.016982 0.038497 -0.007181 0.005586 0.009767 0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650360 1.797411 0.082779 0.392132 1.396718 0.227870 1.756950 -0.000014 40 H 6.167070 10.752210 30.909681 0.115007 1.118493 0.79855007E+01 0.76687440E+02 1.646543 1.551138 -0.833360 2.483458 0.999325 3.165165 8.167553 0.564487 1.129875 -0.747299 0.030457 -0.023972 -0.005175 0.039103 -0.012066 0.007222 0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692994 1.714913 -0.416335 -0.140917 1.718858 0.277308 1.645211 -0.000008 41 H 6.308820 12.094110 32.765604 0.110695 1.212694 0.89970361E+01 0.89643714E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216237 0.525039 1.170830 -0.735494 0.033160 -0.007662 0.016456 0.037803 -0.013030 0.004574 0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.894762 -0.035014 0.485074 1.517718 0.170168 2.134268 0.000003 42 H 2.354940 10.404450 28.778558 0.122770 1.134525 0.84295088E+01 0.82943393E+02 1.725080 1.642168 -1.097235 2.365235 0.997120 3.376245 9.134888 0.518875 1.199676 -0.728288 -0.033108 0.001891 0.018035 0.037749 0.001116 -0.009956 0.001587 0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759290 2.058290 0.071700 -0.154243 1.448505 0.191046 1.771074 0.000298 43 H 4.367790 9.268560 25.546633 0.126840 1.113467 0.83199815E+01 0.81491768E+02 1.694671 1.624553 -1.140935 2.348086 0.996743 3.338417 8.973459 0.525700 1.189534 -0.730791 0.000519 -0.018625 -0.037101 0.041517 -0.000005 -0.000617 0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713676 1.708679 0.027219 -0.002708 1.465696 0.281994 1.966654 0.000512 44 H 6.327720 10.816470 28.677875 0.124070 1.103055 0.82357655E+01 0.80757123E+02 1.703019 1.630693 -1.175513 2.328035 0.996419 3.416448 9.298884 0.515891 1.210798 -0.724902 0.033516 0.011529 0.014609 0.038337 0.003483 0.007397 0.003170 0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729379 1.975362 0.098888 0.116425 1.405081 0.204450 1.807693 0.000142 45 H 4.055940 12.061980 18.310882 0.114825 1.210783 0.91829316E+01 0.92012793E+02 1.786759 1.703829 -1.025764 2.392516 0.997419 3.391210 9.161578 0.515629 1.185502 -0.732827 0.020567 -0.031783 -0.005436 0.038245 -0.008162 -0.007918 -0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.804851 -0.324196 -0.286841 1.880126 0.182657 1.812171 0.000002 46 H 2.672460 11.907000 20.126532 0.115802 1.078505 0.76547963E+01 0.72728604E+02 1.603558 1.515315 -0.821360 2.489792 0.999446 3.139994 8.055799 0.573101 1.124873 -0.748228 0.000380 -0.034547 0.016982 0.038497 -0.007181 -0.009767 -0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.396718 0.082779 -0.227870 1.797412 -0.392133 1.756951 -0.000014 47 H 1.302210 15.617070 19.431819 0.115007 1.118493 0.79855069E+01 0.76687513E+02 1.646544 1.551139 -0.833360 2.483457 0.999325 3.165166 8.167556 0.564487 1.129874 -0.747299 -0.023972 0.030457 0.005175 0.039103 -0.012066 -0.008957 -0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692995 1.718859 -0.416335 -0.277308 1.714913 0.140917 1.645212 -0.000008 48 H 2.644110 15.758820 17.575896 0.110695 1.212694 0.89970373E+01 0.89643729E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216237 0.525039 1.170830 -0.735494 -0.007662 0.033160 -0.016456 0.037803 -0.013030 -0.002866 -0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.517718 -0.035014 -0.170168 1.894762 -0.485074 2.134269 0.000003 49 H 0.954450 11.804940 21.562943 0.122770 1.134525 0.84295145E+01 0.82943459E+02 1.725080 1.642168 -1.097236 2.365235 0.997120 3.376247 9.134893 0.518875 1.199676 -0.728288 0.001891 -0.033108 -0.018035 0.037749 0.001116 -0.001587 0.009956 -0.013149 0.005984 -0.008982 -0.004920 0.013903 1.759290 1.448505 0.071700 -0.191046 2.058291 0.154242 1.771074 0.000297 50 H 18.718560 13.817790 24.794867 0.126841 1.113463 0.83199447E+01 0.81491323E+02 1.694668 1.624550 -1.140931 2.348089 0.996743 3.338411 8.973440 0.525700 1.189534 -0.730791 -0.018625 0.000519 0.037101 0.041517 -0.000005 -0.008335 0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713673 1.465693 0.027218 -0.281994 1.708675 0.002708 1.966650 0.000512 51 H 1.366470 15.777720 21.663626 0.124070 1.103057 0.82357873E+01 0.80757396E+02 1.703021 1.630695 -1.175517 2.328033 0.996419 3.416452 9.298900 0.515890 1.210798 -0.724902 0.011529 0.033516 -0.014609 0.038337 0.003483 -0.003170 -0.007398 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729381 1.405082 0.098888 -0.204450 1.975366 -0.116425 1.807695 0.000142 52 H 5.394060 16.288020 18.310882 0.114825 1.210783 0.91829322E+01 0.92012802E+02 1.786759 1.703830 -1.025764 2.392516 0.997419 3.391210 9.161579 0.515629 1.185502 -0.732827 -0.020567 0.031783 -0.005436 0.038245 -0.008162 0.007918 0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.804852 -0.324196 0.286841 1.880126 -0.182657 1.812172 0.000002 53 H 6.777540 16.443000 20.126532 0.115802 1.078506 0.76548008E+01 0.72728660E+02 1.603558 1.515316 -0.821360 2.489791 0.999446 3.139995 8.055803 0.573100 1.124873 -0.748228 -0.000380 0.034547 0.016982 0.038497 -0.007181 0.009767 0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.396719 0.082779 0.227870 1.797413 0.392133 1.756952 -0.000014 54 H 8.147790 12.732930 19.431819 0.115007 1.118493 0.79855057E+01 0.76687500E+02 1.646544 1.551139 -0.833360 2.483457 0.999325 3.165166 8.167556 0.564487 1.129874 -0.747299 0.023972 -0.030457 0.005175 0.039103 -0.012066 0.008958 0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692995 1.718859 -0.416335 0.277308 1.714913 -0.140917 1.645212 -0.000008 55 H 6.805890 12.591180 17.575896 0.110695 1.212694 0.89970377E+01 0.89643736E+02 1.777567 1.676028 -1.056573 2.368129 0.997940 3.426885 9.216238 0.525039 1.170831 -0.735494 0.007662 -0.033160 -0.016456 0.037803 -0.013030 0.002866 0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848917 1.517719 -0.035014 0.170169 1.894762 0.485075 2.134269 0.000003 56 H 8.495550 16.545060 21.562943 0.122770 1.134525 0.84295145E+01 0.82943460E+02 1.725080 1.642168 -1.097236 2.365235 0.997120 3.376247 9.134893 0.518875 1.199676 -0.728288 -0.001891 0.033108 -0.018035 0.037749 0.001116 0.001587 -0.009956 -0.013149 0.005984 -0.008982 -0.004920 0.013903 1.759290 1.448506 0.071700 0.191046 2.058291 -0.154242 1.771074 0.000297 57 H 9.631440 14.532210 24.794867 0.126840 1.113466 0.83199779E+01 0.81491729E+02 1.694671 1.624553 -1.140934 2.348087 0.996743 3.338416 8.973458 0.525700 1.189534 -0.730791 0.018625 -0.000519 0.037101 0.041517 -0.000005 0.008335 -0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713677 1.465696 0.027219 0.281995 1.708679 -0.002708 1.966655 0.000512 58 H 8.083530 12.572280 21.663626 0.124070 1.103056 0.82357820E+01 0.80757330E+02 1.703021 1.630694 -1.175516 2.328033 0.996419 3.416451 9.298896 0.515890 1.210798 -0.724902 -0.011529 -0.033516 -0.014609 0.038337 0.003483 0.003170 0.007398 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729381 1.405082 0.098888 0.204450 1.975365 0.116425 1.807694 0.000142 59 H 12.061980 5.394060 18.310882 0.114825 1.210782 0.91829253E+01 0.92012709E+02 1.786758 1.703829 -1.025763 2.392516 0.997419 3.391209 9.161573 0.515629 1.185501 -0.732827 -0.031783 -0.020567 -0.005436 0.038245 0.008162 -0.007049 0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832382 1.880125 0.324196 0.182657 1.804850 0.286841 1.812170 0.000002 60 H 11.907000 6.777540 20.126532 0.115802 1.078505 0.76547956E+01 0.72728594E+02 1.603557 1.515315 -0.821360 2.489792 0.999446 3.139994 8.055798 0.573101 1.124873 -0.748228 -0.034547 -0.000380 0.016982 0.038497 0.007181 -0.005586 0.009767 0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650360 1.797412 -0.082779 -0.392133 1.396718 0.227870 1.756951 -0.000014 61 H 15.617070 8.147790 19.431819 0.115007 1.118493 0.79855042E+01 0.76687477E+02 1.646543 1.551138 -0.833360 2.483457 0.999325 3.165166 8.167554 0.564487 1.129874 -0.747299 0.030457 0.023972 0.005175 0.039103 0.012066 -0.007222 0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692994 1.714912 0.416335 0.140917 1.718858 0.277308 1.645211 -0.000008 62 H 15.758820 6.805890 17.575896 0.110695 1.212694 0.89970353E+01 0.89643700E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216235 0.525040 1.170830 -0.735494 0.033160 0.007662 -0.016456 0.037803 0.013030 -0.004574 0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.894761 0.035014 -0.485074 1.517718 0.170168 2.134268 0.000003 63 H 11.804940 8.495550 21.562943 0.122770 1.134526 0.84295212E+01 0.82943543E+02 1.725081 1.642169 -1.097237 2.365234 0.997120 3.376248 9.134897 0.518875 1.199676 -0.728288 -0.033108 -0.001891 -0.018035 0.037749 -0.001116 0.009956 0.001587 0.013149 0.005984 -0.008982 -0.004921 0.013903 1.759291 2.058292 -0.071700 0.154242 1.448506 0.191046 1.771075 0.000297 64 H 13.817790 9.631440 24.794867 0.126841 1.113464 0.83199581E+01 0.81491489E+02 1.694669 1.624551 -1.140932 2.348088 0.996743 3.338413 8.973448 0.525700 1.189534 -0.730791 0.000519 0.018625 0.037101 0.041517 0.000005 0.000617 0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713674 1.708677 -0.027219 0.002708 1.465694 0.281994 1.966652 0.000512 65 H 15.777720 8.083530 21.663626 0.124070 1.103056 0.82357754E+01 0.80757252E+02 1.703021 1.630694 -1.175515 2.328034 0.996419 3.416450 9.298894 0.515890 1.210798 -0.724902 0.033516 -0.011529 -0.014609 0.038337 -0.003483 -0.007397 0.003170 0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729380 1.975365 -0.098888 -0.116425 1.405082 0.204450 1.807694 0.000142 66 H 16.288020 4.055940 18.310882 0.114825 1.210782 0.91829281E+01 0.92012751E+02 1.786759 1.703829 -1.025763 2.392516 0.997419 3.391209 9.161576 0.515629 1.185502 -0.732826 0.031783 0.020567 -0.005436 0.038245 0.008162 0.007049 -0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.880126 0.324196 -0.182657 1.804851 -0.286841 1.812171 0.000002 67 H 16.443000 2.672460 20.126532 0.115802 1.078505 0.76547980E+01 0.72728626E+02 1.603558 1.515315 -0.821360 2.489791 0.999446 3.139994 8.055800 0.573100 1.124873 -0.748228 0.034547 0.000380 0.016982 0.038497 0.007181 0.005586 -0.009767 0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.797412 -0.082779 0.392133 1.396719 -0.227870 1.756952 -0.000014 68 H 12.732930 1.302210 19.431819 0.115007 1.118493 0.79854992E+01 0.76687417E+02 1.646543 1.551138 -0.833360 2.483458 0.999325 3.165165 8.167551 0.564487 1.129874 -0.747299 -0.030457 -0.023972 0.005175 0.039103 0.012066 0.007222 -0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692993 1.714912 0.416335 -0.140917 1.718858 -0.277308 1.645210 -0.000008 69 H 12.591180 2.644110 17.575896 0.110695 1.212694 0.89970296E+01 0.89643627E+02 1.777565 1.676026 -1.056572 2.368130 0.997940 3.426884 9.216231 0.525040 1.170830 -0.735494 -0.033160 -0.007662 -0.016456 0.037803 0.013030 0.004574 -0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848915 1.894761 0.035014 0.485074 1.517717 -0.170168 2.134267 0.000003 70 H 16.545060 0.954450 21.562943 0.122770 1.134526 0.84295225E+01 0.82943558E+02 1.725081 1.642169 -1.097237 2.365234 0.997120 3.376248 9.134897 0.518875 1.199676 -0.728288 0.033108 0.001891 -0.018035 0.037749 -0.001116 -0.009956 -0.001587 0.013149 0.005984 -0.008982 -0.004921 0.013903 1.759291 2.058292 -0.071700 -0.154242 1.448506 -0.191046 1.771075 0.000297 71 H 14.532210 18.718560 24.794867 0.126840 1.113465 0.83199695E+01 0.81491621E+02 1.694670 1.624552 -1.140933 2.348087 0.996743 3.338415 8.973452 0.525700 1.189534 -0.730791 -0.000518 -0.018625 0.037101 0.041517 0.000005 -0.000617 -0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713675 1.708678 -0.027219 -0.002708 1.465695 -0.281994 1.966653 0.000512 72 H 12.572280 1.366470 21.663626 0.124070 1.103055 0.82357702E+01 0.80757183E+02 1.703019 1.630693 -1.175514 2.328034 0.996419 3.416449 9.298888 0.515891 1.210798 -0.724902 -0.033516 0.011529 -0.014609 0.038337 -0.003483 0.007397 -0.003170 0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729379 1.975363 -0.098888 0.116425 1.405081 -0.204449 1.807693 0.000142 73 H 4.055940 16.288020 1.530382 0.114825 1.210782 0.91829271E+01 0.92012734E+02 1.786758 1.703829 -1.025763 2.392516 0.997419 3.391209 9.161574 0.515629 1.185501 -0.732827 0.020567 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-1.056573 2.368129 0.997940 3.426884 9.216234 0.525039 1.170830 -0.735494 -0.007662 -0.033160 -0.016456 0.037803 0.013030 -0.002866 0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.517718 0.035014 -0.170168 1.894761 0.485074 2.134268 0.000003 77 H 0.954450 16.545060 4.782442 0.122770 1.134525 0.84295072E+01 0.82943369E+02 1.725080 1.642167 -1.097235 2.365235 0.997120 3.376245 9.134886 0.518875 1.199676 -0.728288 0.001891 0.033108 -0.018035 0.037749 -0.001116 -0.001587 -0.009956 -0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759289 1.448505 -0.071700 -0.191046 2.058289 -0.154243 1.771074 0.000297 78 H 18.718560 14.532210 8.014367 0.126840 1.113466 0.83199733E+01 0.81491664E+02 1.694670 1.624552 -1.140935 2.348087 0.996743 3.338416 8.973454 0.525700 1.189533 -0.730791 -0.018625 -0.000519 0.037101 0.041517 0.000005 -0.008335 -0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713675 1.465695 -0.027219 -0.281994 1.708678 -0.002708 1.966653 0.000512 79 H 1.366470 12.572280 4.883126 0.124070 1.103054 0.82357623E+01 0.80757088E+02 1.703019 1.630693 -1.175513 2.328035 0.996419 3.416448 9.298885 0.515891 1.210798 -0.724902 0.011529 -0.033516 -0.014609 0.038337 -0.003483 -0.003170 0.007397 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729378 1.405081 -0.098888 -0.204449 1.975363 0.116425 1.807692 0.000142 80 H 5.394060 12.061980 1.530382 0.114825 1.210783 0.91829312E+01 0.92012784E+02 1.786759 1.703829 -1.025764 2.392516 0.997419 3.391210 9.161577 0.515629 1.185501 -0.732827 -0.020567 -0.031783 -0.005436 0.038245 0.008162 0.007918 -0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.804851 0.324196 0.286841 1.880126 0.182657 1.812171 0.000002 81 H 6.777540 11.907000 3.346032 0.115802 1.078504 0.76547896E+01 0.72728524E+02 1.603557 1.515314 -0.821360 2.489792 0.999446 3.139993 8.055795 0.573101 1.124873 -0.748228 -0.000380 -0.034547 0.016982 0.038497 0.007181 0.009767 -0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650360 1.396718 -0.082779 0.227870 1.797411 -0.392132 1.756950 -0.000014 82 H 8.147790 15.617070 2.651319 0.115007 1.118493 0.79855024E+01 0.76687453E+02 1.646543 1.551138 -0.833360 2.483457 0.999325 3.165166 8.167553 0.564487 1.129874 -0.747299 0.023972 0.030457 0.005175 0.039103 0.012066 0.008957 -0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692993 1.718858 0.416335 0.277308 1.714912 0.140917 1.645211 -0.000008 83 H 6.805890 15.758820 0.795396 0.110695 1.212694 0.89970357E+01 0.89643707E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216236 0.525039 1.170830 -0.735494 0.007662 0.033160 -0.016456 0.037803 0.013030 0.002866 -0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.517718 0.035014 0.170168 1.894762 -0.485074 2.134268 0.000003 84 H 8.495550 11.804940 4.782442 0.122770 1.134522 0.84294873E+01 0.82943126E+02 1.725078 1.642166 -1.097233 2.365237 0.997120 3.376242 9.134876 0.518875 1.199676 -0.728288 -0.001891 -0.033108 -0.018035 0.037749 -0.001116 0.001587 0.009956 -0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759287 1.448504 -0.071700 0.191045 2.058287 0.154242 1.771071 0.000297 85 H 9.631440 13.817790 8.014367 0.126840 1.113464 0.83199537E+01 0.81491429E+02 1.694668 1.624551 -1.140932 2.348088 0.996743 3.338413 8.973445 0.525700 1.189534 -0.730791 0.018625 0.000519 0.037101 0.041517 0.000005 0.008335 0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713674 1.465694 -0.027219 0.281994 1.708676 0.002708 1.966651 0.000512 86 H 8.083530 15.777720 4.883126 0.124070 1.103056 0.82357808E+01 0.80757315E+02 1.703021 1.630694 -1.175516 2.328033 0.996419 3.416451 9.298896 0.515890 1.210798 -0.724902 -0.011529 0.033516 -0.014609 0.038337 -0.003483 0.003170 -0.007398 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729380 1.405082 -0.098888 0.204450 1.975365 -0.116425 1.807694 0.000142 87 H 12.061980 4.055940 1.530382 0.114825 1.210783 0.91829330E+01 0.92012809E+02 1.786759 1.703830 -1.025764 2.392516 0.997419 3.391210 9.161578 0.515629 1.185502 -0.732827 -0.031783 0.020567 -0.005436 0.038245 -0.008162 -0.007049 -0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.880126 -0.324196 0.182657 1.804851 -0.286841 1.812171 0.000002 88 H 11.907000 2.672460 3.346032 0.115802 1.078505 0.76547963E+01 0.72728604E+02 1.603558 1.515315 -0.821360 2.489791 0.999446 3.139994 8.055799 0.573101 1.124873 -0.748228 -0.034547 0.000380 0.016982 0.038497 -0.007181 -0.005586 -0.009767 0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.797412 0.082779 -0.392133 1.396718 -0.227870 1.756951 -0.000014 89 H 15.617070 1.302210 2.651319 0.115007 1.118492 0.79854981E+01 0.76687404E+02 1.646543 1.551138 -0.833359 2.483458 0.999325 3.165165 8.167551 0.564487 1.129874 -0.747299 0.030457 -0.023972 0.005175 0.039103 -0.012066 -0.007222 -0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692993 1.714912 -0.416335 0.140917 1.718858 -0.277308 1.645210 -0.000008 90 H 15.758820 2.644110 0.795396 0.110695 1.212694 0.89970303E+01 0.89643641E+02 1.777566 1.676027 -1.056572 2.368130 0.997940 3.426884 9.216233 0.525039 1.170830 -0.735494 0.033160 -0.007662 -0.016456 0.037803 -0.013030 -0.004574 -0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848915 1.894761 -0.035014 -0.485074 1.517718 -0.170168 2.134267 0.000003 91 H 11.804940 0.954450 4.782442 0.122770 1.134526 0.84295207E+01 0.82943536E+02 1.725081 1.642169 -1.097237 2.365234 0.997120 3.376247 9.134894 0.518875 1.199676 -0.728288 -0.033108 0.001891 -0.018035 0.037749 0.001116 0.009956 -0.001587 0.013149 0.005984 -0.008982 -0.004921 0.013903 1.759291 2.058291 0.071700 0.154243 1.448506 -0.191046 1.771075 0.000297 92 H 13.817790 18.718560 8.014367 0.126840 1.113465 0.83199634E+01 0.81491553E+02 1.694670 1.624552 -1.140934 2.348087 0.996743 3.338414 8.973451 0.525700 1.189535 -0.730791 0.000518 -0.018625 0.037101 0.041517 -0.000005 0.000617 -0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713675 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1.210783 0.91829348E+01 0.92012834E+02 1.786760 1.703830 -1.025764 2.392516 0.997419 3.391210 9.161579 0.515629 1.185502 -0.732827 -0.020567 0.031783 0.005436 0.038245 -0.008162 -0.007918 -0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.804852 -0.324196 -0.286841 1.880127 0.182657 1.812172 0.000002 102 H 16.227540 6.993000 13.434468 0.115802 1.078505 0.76547939E+01 0.72728572E+02 1.603557 1.515315 -0.821360 2.489791 0.999446 3.139994 8.055797 0.573101 1.124873 -0.748229 -0.000380 0.034547 -0.016982 0.038497 -0.007181 -0.009767 -0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650360 1.396718 0.082779 -0.227870 1.797411 -0.392132 1.756950 -0.000014 103 H 17.597790 3.282930 14.129181 0.115007 1.118493 0.79854992E+01 0.76687417E+02 1.646543 1.551138 -0.833360 2.483457 0.999325 3.165165 8.167551 0.564487 1.129874 -0.747299 0.023972 -0.030457 -0.005175 0.039103 -0.012066 -0.008957 -0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692993 1.718858 -0.416335 -0.277308 1.714912 0.140917 1.645211 -0.000008 104 H 16.255890 3.141180 15.985104 0.110695 1.212694 0.89970349E+01 0.89643692E+02 1.777566 1.676027 -1.056572 2.368129 0.997940 3.426885 9.216234 0.525040 1.170829 -0.735494 0.007662 -0.033160 0.016456 0.037803 -0.013030 -0.002866 -0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848915 1.517718 -0.035014 -0.170168 1.894761 -0.485074 2.134267 0.000003 105 H 17.945550 7.095060 11.998057 0.122770 1.134524 0.84295038E+01 0.82943330E+02 1.725079 1.642167 -1.097235 2.365235 0.997120 3.376245 9.134887 0.518875 1.199676 -0.728288 -0.001891 0.033108 0.018035 0.037749 0.001116 -0.001587 0.009956 -0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759289 1.448505 0.071700 -0.191046 2.058290 0.154242 1.771073 0.000297 106 H 0.181440 5.082210 8.766133 0.126841 1.113464 0.83199590E+01 0.81491493E+02 1.694669 1.624551 -1.140933 2.348088 0.996743 3.338414 8.973448 0.525700 1.189533 -0.730791 0.018625 -0.000519 -0.037101 0.041517 -0.000005 -0.008335 0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713674 1.465694 0.027219 -0.281994 1.708676 0.002708 1.966651 0.000512 107 H 17.533530 3.122280 11.897375 0.124070 1.103056 0.82357798E+01 0.80757302E+02 1.703021 1.630694 -1.175515 2.328034 0.996419 3.416450 9.298893 0.515890 1.210798 -0.724902 -0.011529 -0.033516 0.014609 0.038337 0.003483 -0.003170 -0.007398 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729380 1.405082 0.098888 -0.204450 1.975364 -0.116425 1.807695 0.000142 108 H 13.505940 2.611980 15.250118 0.114825 1.210783 0.91829317E+01 0.92012793E+02 1.786759 1.703829 -1.025763 2.392516 0.997419 3.391210 9.161578 0.515629 1.185502 -0.732827 0.020567 -0.031783 0.005436 0.038245 -0.008162 0.007918 0.007049 -0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.804851 -0.324196 0.286841 1.880126 -0.182657 1.812171 0.000002 109 H 12.122460 2.457000 13.434468 0.115802 1.078505 0.76547963E+01 0.72728604E+02 1.603558 1.515315 -0.821360 2.489791 0.999446 3.139994 8.055799 0.573101 1.124873 -0.748228 0.000380 -0.034547 -0.016982 0.038497 -0.007181 0.009767 0.005586 -0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.396718 0.082779 0.227870 1.797412 0.392133 1.756951 -0.000014 110 H 10.752210 6.167070 14.129181 0.115007 1.118493 0.79855042E+01 0.76687477E+02 1.646543 1.551138 -0.833360 2.483457 0.999325 3.165166 8.167554 0.564487 1.129874 -0.747299 -0.023972 0.030457 -0.005175 0.039103 -0.012066 0.008957 0.007222 -0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692994 1.718858 -0.416335 0.277308 1.714912 -0.140917 1.645211 -0.000008 111 H 12.094110 6.308820 15.985104 0.110695 1.212694 0.89970341E+01 0.89643684E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216235 0.525040 1.170830 -0.735494 -0.007662 0.033160 0.016456 0.037803 -0.013030 0.002866 0.004574 -0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848915 1.517718 -0.035014 0.170168 1.894761 0.485074 2.134268 0.000003 112 H 10.404450 2.354940 11.998057 0.122770 1.134524 0.84295012E+01 0.82943296E+02 1.725079 1.642167 -1.097235 2.365235 0.997120 3.376245 9.134886 0.518875 1.199676 -0.728288 0.001891 -0.033108 0.018035 0.037749 0.001116 0.001587 -0.009956 -0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759289 1.448504 0.071700 0.191046 2.058289 -0.154242 1.771073 0.000297 113 H 9.268560 4.367790 8.766133 0.126840 1.113464 0.83199605E+01 0.81491513E+02 1.694669 1.624551 -1.140933 2.348087 0.996743 3.338414 8.973449 0.525700 1.189534 -0.730791 -0.018625 0.000519 -0.037101 0.041517 -0.000005 0.008335 -0.000617 0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713674 1.465694 0.027219 0.281994 1.708677 -0.002708 1.966652 0.000512 114 H 10.816470 6.327720 11.897375 0.124070 1.103055 0.82357678E+01 0.80757160E+02 1.703020 1.630694 -1.175514 2.328034 0.996419 3.416448 9.298888 0.515890 1.210799 -0.724902 0.011529 0.033516 0.014609 0.038337 0.003483 0.003170 0.007397 -0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729380 1.405081 0.098888 0.204450 1.975363 0.116425 1.807694 0.000142 115 H 6.838020 13.505940 15.250118 0.114825 1.210783 0.91829321E+01 0.92012801E+02 1.786759 1.703830 -1.025764 2.392516 0.997419 3.391210 9.161579 0.515629 1.185502 -0.732827 0.031783 0.020567 0.005436 0.038245 0.008162 -0.007049 0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.880126 0.324196 0.182657 1.804852 0.286841 1.812172 0.000002 116 H 6.993000 12.122460 13.434468 0.115802 1.078505 0.76547969E+01 0.72728614E+02 1.603558 1.515315 -0.821361 2.489791 0.999446 3.139994 8.055800 0.573101 1.124873 -0.748228 0.034547 0.000380 -0.016982 0.038497 0.007181 -0.005586 0.009767 0.019637 -0.008181 -0.018552 0.004585 0.013967 1.650361 1.797412 -0.082779 -0.392133 1.396719 0.227870 1.756952 -0.000014 117 H 3.282930 10.752210 14.129181 0.115007 1.118493 0.79855026E+01 0.76687465E+02 1.646544 1.551139 -0.833360 2.483457 0.999325 3.165165 8.167554 0.564487 1.129875 -0.747299 -0.030457 -0.023972 -0.005175 0.039103 0.012066 -0.007222 0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692995 1.714913 0.416335 0.140917 1.718859 0.277308 1.645212 -0.000008 118 H 3.141180 12.094110 15.985104 0.110695 1.212694 0.89970357E+01 0.89643707E+02 1.777566 1.676027 -1.056573 2.368129 0.997940 3.426885 9.216236 0.525039 1.170830 -0.735494 -0.033160 -0.007662 0.016456 0.037803 0.013030 -0.004574 0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848916 1.894762 0.035014 -0.485074 1.517718 0.170168 2.134268 0.000003 119 H 7.095060 10.404450 11.998057 0.122770 1.134525 0.84295077E+01 0.82943375E+02 1.725080 1.642167 -1.097236 2.365235 0.997120 3.376246 9.134889 0.518875 1.199676 -0.728288 0.033108 0.001891 0.018035 0.037749 -0.001116 0.009956 0.001587 0.013149 0.005983 -0.008982 -0.004920 0.013903 1.759289 2.058290 -0.071700 0.154242 1.448505 0.191046 1.771073 0.000298 120 H 5.082210 9.268560 8.766133 0.126841 1.113462 0.83199348E+01 0.81491194E+02 1.694666 1.624548 -1.140931 2.348089 0.996743 3.338410 8.973433 0.525701 1.189533 -0.730791 -0.000519 -0.018625 -0.037101 0.041517 0.000005 0.000617 0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713671 1.708673 -0.027218 0.002708 1.465692 0.281993 1.966648 0.000512 121 H 3.122280 10.816470 11.897375 0.124070 1.103055 0.82357719E+01 0.80757208E+02 1.703020 1.630694 -1.175514 2.328034 0.996419 3.416449 9.298890 0.515890 1.210798 -0.724902 -0.033516 0.011529 0.014609 0.038337 -0.003483 -0.007397 0.003170 0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729380 1.975364 -0.098888 -0.116425 1.405081 0.204450 1.807694 0.000142 122 H 2.611980 14.844060 15.250118 0.114825 1.210783 0.91829335E+01 0.92012818E+02 1.786759 1.703830 -1.025764 2.392516 0.997419 3.391210 9.161579 0.515629 1.185502 -0.732827 -0.031783 -0.020567 0.005436 0.038245 0.008162 0.007049 -0.007918 0.021703 -0.018568 -0.018511 0.000980 0.017531 1.832383 1.880126 0.324196 -0.182657 1.804852 -0.286841 1.812172 0.000002 123 H 2.457000 16.227540 13.434468 0.115802 1.078505 0.76547988E+01 0.72728630E+02 1.603558 1.515315 -0.821360 2.489791 0.999446 3.139995 8.055800 0.573101 1.124872 -0.748229 -0.034547 -0.000380 -0.016982 0.038497 0.007181 0.005586 -0.009767 0.019636 -0.008181 -0.018552 0.004585 0.013967 1.650360 1.797412 -0.082779 0.392133 1.396718 -0.227870 1.756951 -0.000014 124 H 6.167070 17.597790 14.129181 0.115007 1.118494 0.79855108E+01 0.76687559E+02 1.646544 1.551139 -0.833361 2.483457 0.999325 3.165167 8.167559 0.564487 1.129874 -0.747299 0.030457 0.023972 -0.005175 0.039103 0.012066 0.007222 -0.008957 0.011203 -0.005534 -0.019718 0.005350 0.014368 1.692995 1.714914 0.416335 -0.140917 1.718859 -0.277308 1.645212 -0.000008 125 H 6.308820 16.255890 15.985104 0.110695 1.212695 0.89970414E+01 0.89643780E+02 1.777567 1.676028 -1.056573 2.368129 0.997940 3.426886 9.216240 0.525039 1.170830 -0.735494 0.033160 0.007662 0.016456 0.037803 0.013030 0.004574 -0.002866 0.014517 -0.022087 -0.014523 -0.004318 0.018841 1.848917 1.894762 0.035014 0.485075 1.517719 -0.170169 2.134269 0.000003 126 H 2.354940 17.945550 11.998057 0.122770 1.134526 0.84295196E+01 0.82943519E+02 1.725081 1.642168 -1.097237 2.365234 0.997120 3.376248 9.134895 0.518875 1.199675 -0.728288 -0.033108 -0.001891 0.018035 0.037749 -0.001116 -0.009956 -0.001587 0.013149 0.005984 -0.008982 -0.004921 0.013903 1.759290 2.058291 -0.071700 -0.154242 1.448506 -0.191046 1.771074 0.000297 127 H 4.367790 0.181440 8.766133 0.126840 1.113466 0.83199754E+01 0.81491699E+02 1.694671 1.624553 -1.140935 2.348087 0.996743 3.338416 8.973458 0.525700 1.189534 -0.730791 0.000519 0.018625 -0.037101 0.041517 0.000005 -0.000617 -0.008335 -0.005021 0.031816 -0.007889 -0.006725 0.014614 1.713676 1.708679 -0.027219 -0.002708 1.465696 -0.281994 1.966654 0.000512 128 H 6.327720 17.533530 11.897375 0.124070 1.103054 0.82357642E+01 0.80757110E+02 1.703019 1.630693 -1.175513 2.328035 0.996419 3.416448 9.298885 0.515891 1.210798 -0.724902 0.033516 -0.011529 0.014609 0.038337 -0.003483 0.007397 -0.003170 0.011609 -0.008571 -0.007466 -0.004921 0.012388 1.729379 1.975362 -0.098888 0.116425 1.405081 -0.204450 1.807693 0.000142 129 C 15.335460 4.505760 32.591087 0.073624 38.504236 0.46188699E+03 0.11014560E+05 10.230015 7.301570 -0.335803 1.898717 0.998974 27.578285 79.612789 0.593399 0.432841 -1.054918 -0.025506 0.007861 0.001298 0.026721 -0.002483 -0.018366 -0.005464 0.011095 0.091414 -0.023735 -0.014171 0.037906 14.286324 13.611995 0.384725 -9.118065 9.737540 2.045502 19.509438 0.000187 130 C 15.378930 3.339630 31.801061 -0.143502 37.141250 0.45067415E+03 0.10731517E+05 9.837890 7.159441 -0.068010 1.945709 0.999288 30.184227 88.415311 0.603088 0.426508 -1.053862 0.007148 0.008844 -0.030186 0.032257 0.015118 0.003078 -0.009386 -0.035582 -0.061981 -0.024857 -0.009919 0.034775 12.914382 11.266252 -0.121024 -8.177512 8.948097 2.201448 18.528796 -0.000036 131 C 16.197300 3.252690 30.693884 -0.133602 35.845397 0.42056135E+03 0.97971188E+04 9.483557 6.826389 0.151233 2.017519 0.999753 29.240480 83.438265 0.632781 0.415512 -1.065714 -0.020109 0.011765 0.017224 0.028973 0.000610 -0.001156 0.024364 -0.047369 -0.029229 -0.022102 -0.018294 0.040396 12.352596 11.345741 0.774550 -8.387224 8.500174 0.749446 17.211872 0.000133 132 C 16.985430 4.335660 30.272358 0.066064 41.207053 0.42200668E+03 0.97846375E+04 10.502744 6.861320 -0.111287 1.970688 0.999235 26.679115 74.582734 0.631471 0.418338 -1.069845 -0.012810 0.003702 -0.002841 0.013633 -0.007179 -0.025241 0.003017 -0.015737 0.017515 -0.029536 0.003325 0.026211 15.434824 12.067208 0.802453 -10.603417 9.216200 1.494512 25.021064 0.000251 133 C 17.021340 5.463990 31.112389 -0.136878 36.884885 0.42859618E+03 0.10036352E+05 9.676603 6.902064 0.115208 2.003545 0.999722 29.481932 84.475708 0.627534 0.416813 -1.064382 -0.024545 0.000219 0.021382 0.032552 0.034292 -0.002830 -0.007118 -0.027165 -0.033578 -0.031429 -0.012074 0.043503 12.670374 10.947454 0.677736 -7.769272 8.512793 2.360108 18.550874 0.000160 134 C 16.214310 5.547150 32.235005 -0.153453 38.143633 0.45302274E+03 0.10793338E+05 9.971494 7.154168 -0.026938 1.954137 0.999465 30.342562 88.684990 0.606793 0.423672 -1.056416 0.010999 -0.002266 -0.034664 0.036438 0.011893 0.012994 0.021701 -0.030172 -0.058837 -0.031052 -0.008435 0.039487 13.099965 12.387781 1.321943 -8.375076 8.540490 1.479085 18.371624 -0.000028 135 C 17.652600 4.320540 28.960794 0.078557 41.999772 0.39842737E+03 0.91094449E+04 10.553510 6.638308 -0.082803 1.984893 0.999240 26.242849 72.938827 0.645902 0.414760 -1.071750 -0.006286 -0.000249 -0.005788 0.008548 0.009145 -0.006133 0.005654 -0.016616 0.001369 -0.016350 0.003496 0.012854 15.434664 10.351701 -1.180805 -9.299539 12.563137 0.912257 23.389155 0.001089 136 C 18.034380 3.161970 28.328504 -0.146567 37.970120 0.43843782E+03 0.10369981E+05 10.018456 7.096840 -0.091708 1.941100 0.999489 29.924458 87.398892 0.601150 0.430778 -1.051095 0.001314 0.003147 -0.021041 0.021315 0.014400 0.025285 -0.031917 0.037946 -0.070109 -0.057657 0.016923 0.040734 13.032909 8.345317 -3.380293 -5.971806 13.592616 4.880195 17.160793 -0.000630 137 C 18.554130 3.154410 27.037748 -0.003150 40.578776 0.40458784E+03 0.92476678E+04 10.174686 6.598069 0.082006 2.038502 0.999221 26.341220 72.223310 0.664102 0.403508 -1.083600 -0.011737 0.029363 0.020134 0.037488 0.006167 -0.009212 -0.013468 0.006444 0.014560 -0.014854 -0.005490 0.020344 14.396669 7.217761 -3.456121 -3.947523 22.145544 5.132727 13.826703 0.012228 138 C 18.703440 4.362120 26.396062 -0.119603 35.818728 0.42720689E+03 0.10026896E+05 9.574162 6.983471 -0.117827 1.934179 0.999481 29.504270 85.502968 0.609596 0.428091 -1.054012 -0.008467 0.004161 0.019737 0.021875 0.008414 0.003546 0.001835 0.092562 0.061718 -0.057355 0.019796 0.037559 11.979444 5.971246 -1.322551 -1.798332 20.944317 -0.253524 9.022770 0.000342 139 C 18.319770 5.573610 26.962572 -0.009940 41.087721 0.41359462E+03 0.94983626E+04 10.234958 6.661682 0.082425 2.036541 0.999281 26.480795 72.594230 0.662839 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23.889859 0.25635976E+03 0.53294536E+04 7.750889 5.686720 -0.030583 2.050263 0.999616 22.122792 61.599445 0.622828 0.473048 -1.021531 -0.002212 0.045095 -0.029293 0.053820 0.022486 0.059088 0.045339 0.149771 -0.021077 -0.095163 -0.022458 0.117621 10.003520 5.401964 0.722292 -1.646998 15.662235 -4.873355 8.946360 -0.000426 143 C 13.014540 4.944240 32.591087 0.073624 38.504237 0.46188699E+03 0.11014560E+05 10.230015 7.301570 -0.335803 1.898717 0.998974 27.578285 79.612791 0.593399 0.432841 -1.054918 0.025506 -0.007861 0.001298 0.026721 -0.002483 0.018366 0.005464 0.011095 0.091415 -0.023735 -0.014171 0.037906 14.286325 13.611996 0.384724 9.118066 9.737540 -2.045502 19.509440 0.000185 144 C 12.971070 6.110370 31.801061 -0.143502 37.141252 0.45067417E+03 0.10731517E+05 9.837891 7.159441 -0.068010 1.945709 0.999288 30.184227 88.415309 0.603088 0.426508 -1.053862 -0.007148 -0.008844 -0.030186 0.032257 0.015118 -0.003078 0.009386 -0.035583 -0.061981 -0.024857 -0.009919 0.034776 12.914383 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0.10369984E+05 10.018459 7.096841 -0.091709 1.941100 0.999489 29.924464 87.398924 0.601150 0.430778 -1.051095 -0.001314 -0.003147 -0.021041 0.021315 0.014400 -0.025285 0.031917 0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032912 8.345319 -3.380294 5.971807 13.592620 -4.880196 17.160798 -0.000628 151 C 9.795870 6.295590 27.037748 -0.003150 40.578780 0.40458789E+03 0.92476692E+04 10.174687 6.598070 0.082006 2.038501 0.999221 26.341222 72.223318 0.664102 0.403508 -1.083600 0.011736 -0.029363 0.020134 0.037488 0.006167 0.009212 0.013468 0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396671 7.217762 -3.456121 3.947524 22.145546 -5.132728 13.826705 0.012228 152 C 9.646560 5.087880 26.396062 -0.119603 35.818724 0.42720682E+03 0.10026894E+05 9.574163 6.983471 -0.117827 1.934179 0.999481 29.504265 85.502954 0.609596 0.428091 -1.054012 0.008466 -0.004161 0.019736 0.021875 0.008414 -0.003546 -0.001836 0.092562 0.061718 -0.057355 0.019796 0.037559 11.979445 5.971246 -1.322551 1.798332 20.944319 0.253523 9.022769 0.000342 153 C 10.030230 3.876390 26.962572 -0.009940 41.087743 0.41359485E+03 0.94983697E+04 10.234962 6.661684 0.082423 2.036541 0.999281 26.480804 72.594268 0.662839 0.402369 -1.085206 0.004467 0.034321 0.015394 0.037879 -0.006057 0.015011 -0.010423 0.009609 0.006878 -0.014555 -0.008176 0.022731 14.306408 6.564454 0.626336 3.059169 22.720973 5.639565 13.633797 0.012693 154 C 10.557540 3.916080 28.266081 -0.144653 37.200358 0.45717022E+03 0.10906750E+05 9.852386 7.225290 -0.061718 1.947311 0.999461 30.066471 87.667579 0.599549 0.428217 -1.054592 0.001315 0.005896 -0.018375 0.019343 -0.006562 -0.022177 -0.031074 0.035647 -0.075760 -0.053586 0.014838 0.038748 12.372533 7.223657 1.535436 4.993674 13.000312 4.664988 16.893632 -0.001363 155 C 9.485910 7.573230 26.344714 0.597466 24.180580 0.26111640E+03 0.54506230E+04 7.818041 5.738546 -0.010932 2.056371 0.999649 22.182850 61.792428 0.620431 0.472934 -1.022103 -0.009159 0.050018 -0.023990 0.056224 0.003709 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0.000250 161 C 3.986010 17.021340 31.112389 -0.136878 36.884889 0.42859622E+03 0.10036353E+05 9.676604 6.902065 0.115208 2.003545 0.999722 29.481934 84.475717 0.627534 0.416813 -1.064382 -0.000219 -0.024545 0.021382 0.032552 -0.034292 0.007118 -0.002830 0.027165 -0.033578 -0.031429 -0.012074 0.043503 12.670375 8.512794 -0.677736 -2.360109 10.947455 -7.769272 18.550877 0.000160 162 C 3.902850 16.214310 32.235005 -0.153453 38.143631 0.45302270E+03 0.10793337E+05 9.971494 7.154167 -0.026938 1.954137 0.999465 30.342560 88.684983 0.606793 0.423672 -1.056416 0.002266 0.010999 -0.034664 0.036438 -0.011893 -0.021701 0.012994 0.030172 -0.058837 -0.031052 -0.008435 0.039487 13.099965 8.540490 -1.321943 -1.479086 12.387780 -8.375075 18.371624 -0.000028 163 C 5.129460 17.652600 28.960794 0.078557 41.999781 0.39842744E+03 0.91094472E+04 10.553513 6.638308 -0.082804 1.984892 0.999240 26.242852 72.938843 0.645902 0.414760 -1.071750 0.000249 -0.006286 -0.005788 0.008548 -0.009145 -0.005654 -0.006133 0.016616 0.001369 -0.016350 0.003496 0.012854 15.434668 12.563140 1.180805 -0.912257 10.351703 -9.299542 23.389162 0.001088 164 C 6.288030 18.034380 28.328504 -0.146567 37.970162 0.43843833E+03 0.10369997E+05 10.018466 7.096846 -0.091712 1.941099 0.999489 29.924484 87.399013 0.601150 0.430778 -1.051095 -0.003147 0.001314 -0.021041 0.021315 -0.014400 0.031917 0.025285 -0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032922 13.592626 3.380295 -4.880197 8.345325 -5.971813 17.160813 -0.000629 165 C 6.295590 18.554130 27.037748 -0.003150 40.578792 0.40458803E+03 0.92476735E+04 10.174689 6.598071 0.082005 2.038501 0.999221 26.341228 72.223344 0.664101 0.403508 -1.083600 -0.029364 -0.011736 0.020133 0.037487 -0.006167 0.013468 -0.009212 -0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396674 22.145544 3.456122 -5.132730 7.217764 -3.947527 13.826714 0.012229 166 C 5.087880 18.703440 26.396062 -0.119603 35.818727 0.42720687E+03 0.10026895E+05 9.574163 6.983471 -0.117827 1.934179 0.999481 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-0.014171 0.037906 14.286326 9.737541 -0.384725 2.045502 13.611997 9.118066 19.509441 0.000184 172 C 3.339630 12.971070 31.801061 -0.143502 37.141246 0.45067409E+03 0.10731515E+05 9.837889 7.159440 -0.068010 1.945709 0.999288 30.184225 88.415301 0.603088 0.426508 -1.053862 0.008844 -0.007148 -0.030186 0.032257 -0.015118 -0.009386 -0.003078 0.035582 -0.061981 -0.024857 -0.009919 0.034776 12.914381 8.948097 0.121024 2.201447 11.266251 8.177511 18.528795 -0.000032 173 C 3.252690 12.152700 30.693884 -0.133602 35.845401 0.42056140E+03 0.97971204E+04 9.483559 6.826390 0.151233 2.017519 0.999753 29.240481 83.438274 0.632780 0.415512 -1.065714 0.011765 0.020109 0.017224 0.028973 -0.000610 0.024364 0.001156 0.047369 -0.029229 -0.022102 -0.018294 0.040396 12.352598 8.500175 -0.774550 0.749446 11.345743 8.387226 17.211876 0.000131 174 C 4.335660 11.364570 30.272358 0.066064 41.207054 0.42200668E+03 0.97846378E+04 10.502745 6.861321 -0.111288 1.970688 0.999235 26.679115 74.582738 0.631471 0.418338 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0.39842736E+03 0.91094450E+04 10.553511 6.638308 -0.082803 1.984893 0.999240 26.242849 72.938832 0.645902 0.414760 -1.071750 -0.000249 0.006286 -0.005788 0.008548 -0.009145 0.005654 0.006133 0.016616 0.001369 -0.016350 0.003496 0.012854 15.434666 12.563139 1.180805 0.912257 10.351702 9.299540 23.389158 0.001088 178 C 3.161970 10.315620 28.328504 -0.146567 37.970135 0.43843799E+03 0.10369987E+05 10.018460 7.096843 -0.091709 1.941099 0.999489 29.924467 87.398942 0.601150 0.430778 -1.051095 0.003147 -0.001314 -0.021041 0.021315 -0.014400 -0.031917 -0.025285 -0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032915 13.592621 3.380294 4.880196 8.345321 5.971809 17.160802 -0.000629 179 C 3.154410 9.795870 27.037748 -0.003150 40.578778 0.40458787E+03 0.92476687E+04 10.174687 6.598070 0.082005 2.038501 0.999221 26.341221 72.223318 0.664101 0.403508 -1.083600 0.029363 0.011736 0.020133 0.037487 -0.006167 -0.013468 0.009212 -0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396670 22.145542 3.456121 5.132728 7.217762 3.947524 13.826707 0.012229 180 C 4.362120 9.646560 26.396062 -0.119604 35.818730 0.42720691E+03 0.10026896E+05 9.574164 6.983472 -0.117827 1.934179 0.999481 29.504269 85.502969 0.609596 0.428091 -1.054012 0.004160 0.008467 0.019736 0.021875 -0.008414 0.001836 -0.003546 -0.092562 0.061718 -0.057355 0.019796 0.037559 11.979446 20.944321 1.322551 -0.253523 5.971247 1.798333 9.022771 0.000342 181 C 5.573610 10.030230 26.962572 -0.009940 41.087726 0.41359467E+03 0.94983641E+04 10.234959 6.661682 0.082425 2.036541 0.999281 26.480797 72.594237 0.662839 0.402369 -1.085206 -0.034321 0.004467 0.015394 0.037879 0.006058 0.010423 0.015011 -0.009609 0.006877 -0.014555 -0.008176 0.022731 14.306403 22.720969 -0.626334 -5.639562 6.564452 3.059166 13.633789 0.012693 182 C 5.533920 10.557540 28.266081 -0.144654 37.200338 0.45716997E+03 0.10906742E+05 9.852382 7.225288 -0.061716 1.947312 0.999461 30.066457 87.667514 0.599549 0.428217 -1.054592 -0.005896 0.001315 -0.018375 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7.301570 -0.335803 1.898717 0.998974 27.578286 79.612795 0.593399 0.432841 -1.054918 0.025506 0.007861 -0.001298 0.026721 0.002483 -0.018367 0.005464 0.011095 0.091414 -0.023735 -0.014171 0.037906 14.286326 13.611996 -0.384725 -9.118066 9.737541 -2.045502 19.509441 0.000185 186 C 3.521070 12.789630 18.540439 -0.143502 37.141254 0.45067420E+03 0.10731518E+05 9.837891 7.159441 -0.068011 1.945709 0.999288 30.184229 88.415317 0.603088 0.426508 -1.053862 -0.007148 0.008844 0.030186 0.032257 -0.015118 0.003078 0.009386 -0.035582 -0.061981 -0.024857 -0.009919 0.034776 12.914384 11.266253 0.121025 -8.177513 8.948098 -2.201448 18.528799 -0.000033 187 C 2.702700 12.702690 19.647616 -0.133601 35.845394 0.42056131E+03 0.97971178E+04 9.483557 6.826389 0.151233 2.017519 0.999753 29.240478 83.438264 0.632780 0.415512 -1.065714 0.020109 0.011765 -0.017224 0.028973 -0.000610 -0.001156 -0.024364 -0.047369 -0.029229 -0.022102 -0.018294 0.040396 12.352596 11.345741 -0.774550 -8.387224 8.500175 -0.749447 17.211873 0.000130 188 C 1.914570 13.785660 20.069142 0.066064 41.207052 0.42200666E+03 0.97846371E+04 10.502745 6.861320 -0.111287 1.970688 0.999235 26.679114 74.582733 0.631471 0.418338 -1.069845 0.012809 0.003702 0.002841 0.013633 0.007179 -0.025241 -0.003017 -0.015737 0.017515 -0.029536 0.003325 0.026211 15.434825 12.067208 -0.802453 -10.603419 9.216201 -1.494513 25.021067 0.000255 189 C 1.878660 14.913990 19.229111 -0.136878 36.884886 0.42859617E+03 0.10036352E+05 9.676604 6.902064 0.115208 2.003545 0.999722 29.481932 84.475711 0.627534 0.416813 -1.064382 0.024545 0.000219 -0.021382 0.032552 -0.034292 -0.002830 0.007118 -0.027165 -0.033578 -0.031429 -0.012074 0.043503 12.670375 10.947455 -0.677736 -7.769273 8.512794 -2.360108 18.550877 0.000157 190 C 2.685690 14.997150 18.106495 -0.153453 38.143634 0.45302273E+03 0.10793338E+05 9.971495 7.154168 -0.026939 1.954137 0.999465 30.342562 88.684995 0.606793 0.423672 -1.056416 -0.010999 -0.002266 0.034664 0.036438 -0.011893 0.012994 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14.983920 22.075419 -0.144654 37.200351 0.45717011E+03 0.10906747E+05 9.852385 7.225289 -0.061718 1.947311 0.999461 30.066472 87.667581 0.599549 0.428217 -1.054592 0.001315 -0.005896 0.018375 0.019343 0.006563 0.022177 -0.031074 0.035647 -0.075760 -0.053586 0.014838 0.038747 12.372532 7.223655 -1.535436 -4.993671 13.000315 4.664991 16.893625 -0.001363 197 C 0.035910 11.326770 23.996786 0.597467 24.180579 0.26111641E+03 0.54506233E+04 7.818041 5.738546 -0.010932 2.056370 0.999649 22.182850 61.792429 0.620431 0.472934 -1.022103 -0.009159 -0.050018 0.023990 0.056224 -0.003709 0.060923 0.036792 0.157909 -0.030738 -0.096093 -0.018782 0.114876 10.209346 5.787792 2.527070 -2.253395 15.623623 -4.624126 9.216622 -0.000696 198 C 0.504630 16.306920 24.106195 0.600689 23.889852 0.25635969E+03 0.53294519E+04 7.750887 5.686719 -0.030583 2.050264 0.999616 22.122793 61.599450 0.622828 0.473048 -1.021531 0.002211 0.045095 0.029294 0.053820 -0.022486 0.059088 -0.045339 0.149771 -0.021078 -0.095163 -0.022458 0.117621 10.003517 5.401962 -0.722290 -1.646996 15.662232 4.873351 8.946355 -0.000423 199 C 5.885460 14.394240 17.750413 0.073624 38.504242 0.46188703E+03 0.11014561E+05 10.230016 7.301571 -0.335804 1.898717 0.998974 27.578287 79.612800 0.593399 0.432841 -1.054918 -0.025506 -0.007861 -0.001298 0.026721 0.002483 0.018366 -0.005464 0.011095 0.091415 -0.023735 -0.014171 0.037906 14.286328 13.611997 -0.384725 9.118068 9.737542 2.045502 19.509444 0.000184 200 C 5.928930 15.560370 18.540439 -0.143502 37.141259 0.45067424E+03 0.10731520E+05 9.837892 7.159442 -0.068011 1.945709 0.999288 30.184231 88.415329 0.603088 0.426508 -1.053862 0.007148 -0.008844 0.030186 0.032257 -0.015118 -0.003078 -0.009386 -0.035583 -0.061981 -0.024857 -0.009919 0.034776 12.914386 11.266255 0.121025 8.177515 8.948099 2.201449 18.528804 -0.000031 201 C 6.747300 15.647310 19.647616 -0.133602 35.845413 0.42056155E+03 0.97971249E+04 9.483561 6.826391 0.151232 2.017519 0.999753 29.240488 83.438304 0.632780 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38.143638 0.45302279E+03 0.10793340E+05 9.971495 7.154168 -0.026939 1.954137 0.999465 30.342565 88.685005 0.606793 0.423672 -1.056416 0.010999 0.002266 0.034664 0.036438 -0.011893 -0.012994 0.021701 -0.030172 -0.058837 -0.031052 -0.008435 0.039487 13.099967 12.387782 -1.321943 8.375077 8.540491 1.479086 18.371628 -0.000024 205 C 8.202600 14.579460 21.380706 0.078557 41.999789 0.39842745E+03 0.91094475E+04 10.553514 6.638309 -0.082804 1.984892 0.999240 26.242852 72.938844 0.645902 0.414760 -1.071750 -0.006286 0.000249 0.005788 0.008548 -0.009145 0.006133 0.005654 -0.016616 0.001369 -0.016350 0.003496 0.012854 15.434671 10.351705 1.180806 9.299544 12.563143 0.912257 23.389166 0.001085 206 C 8.584380 15.738030 22.012996 -0.146567 37.970137 0.43843798E+03 0.10369987E+05 10.018461 7.096843 -0.091710 1.941099 0.999489 29.924476 87.398978 0.601150 0.430778 -1.051095 0.001314 -0.003147 0.021041 0.021315 -0.014400 -0.025285 -0.031917 0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032917 8.345322 3.380296 5.971809 13.592627 4.880200 17.160801 -0.000627 207 C 9.104130 15.745590 23.303752 -0.003150 40.578802 0.40458813E+03 0.92476765E+04 10.174691 6.598072 0.082004 2.038501 0.999221 26.341231 72.223358 0.664101 0.403508 -1.083600 -0.011736 -0.029363 -0.020133 0.037488 -0.006167 0.009212 -0.013468 0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396678 7.217766 3.456123 3.947527 22.145556 5.132731 13.826713 0.012228 208 C 9.253440 14.537880 23.945438 -0.119603 35.818722 0.42720680E+03 0.10026893E+05 9.574162 6.983470 -0.117827 1.934179 0.999481 29.504265 85.502955 0.609596 0.428091 -1.054012 -0.008467 -0.004161 -0.019736 0.021875 -0.008414 -0.003546 0.001835 0.092562 0.061718 -0.057355 0.019796 0.037559 11.979444 5.971246 1.322550 1.798332 20.944317 -0.253525 9.022769 0.000343 209 C 8.869770 13.326390 23.378928 -0.009940 41.087726 0.41359468E+03 0.94983646E+04 10.234959 6.661682 0.082424 2.036541 0.999281 26.480797 72.594240 0.662839 0.402369 -1.085206 -0.004467 0.034321 -0.015394 0.037879 0.006057 0.015011 0.010423 0.009609 0.006878 -0.014555 -0.008176 0.022731 14.306404 6.564453 -0.626336 3.059168 22.720967 -5.639563 13.633793 0.012693 210 C 8.342460 13.366080 22.075419 -0.144654 37.200343 0.45716999E+03 0.10906743E+05 9.852383 7.225289 -0.061718 1.947312 0.999461 30.066467 87.667562 0.599549 0.428217 -1.054592 -0.001315 0.005896 0.018375 0.019343 0.006563 -0.022177 0.031074 0.035647 -0.075760 -0.053586 0.014838 0.038747 12.372530 7.223655 -1.535436 4.993671 13.000313 -4.664990 16.893623 -0.001361 211 C 9.414090 17.023230 23.996786 0.597466 24.180613 0.26111677E+03 0.54506324E+04 7.818048 5.738550 -0.010934 2.056370 0.999649 22.182861 61.792464 0.620431 0.472934 -1.022103 0.009158 0.050018 0.023989 0.056224 -0.003709 -0.060923 -0.036792 0.157909 -0.030737 -0.096093 -0.018782 0.114875 10.209358 5.787798 2.527076 2.253399 15.623644 4.624136 9.216634 -0.000699 212 C 8.945370 12.043080 24.106195 0.600689 23.889859 0.25635975E+03 0.53294534E+04 7.750889 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18.528797 -0.000035 215 C 12.702690 6.747300 19.647616 -0.133602 35.845401 0.42056141E+03 0.97971206E+04 9.483558 6.826390 0.151233 2.017519 0.999753 29.240482 83.438276 0.632780 0.415512 -1.065714 0.011765 -0.020109 -0.017224 0.028973 0.000611 -0.024364 0.001156 0.047369 -0.029229 -0.022102 -0.018294 0.040396 12.352597 8.500175 0.774550 -0.749447 11.345742 8.387225 17.211875 0.000132 216 C 13.785660 7.535430 20.069142 0.066064 41.207055 0.42200669E+03 0.97846380E+04 10.502745 6.861321 -0.111288 1.970688 0.999235 26.679115 74.582739 0.631471 0.418338 -1.069845 0.003702 -0.012810 0.002841 0.013633 -0.007179 -0.003017 0.025241 0.015737 0.017515 -0.029536 0.003325 0.026211 15.434827 9.216201 0.802452 -1.494514 12.067209 10.603419 25.021069 0.000252 217 C 14.913990 7.571340 19.229111 -0.136878 36.884886 0.42859617E+03 0.10036352E+05 9.676604 6.902065 0.115208 2.003545 0.999722 29.481931 84.475709 0.627534 0.416813 -1.064382 0.000219 -0.024545 -0.021382 0.032552 0.034292 0.007118 0.002830 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29.924479 87.398988 0.601150 0.430778 -1.051095 0.003147 0.001314 0.021041 0.021315 0.014400 0.031917 -0.025285 -0.037947 -0.070108 -0.057657 0.016923 0.040734 13.032916 13.592627 -3.380295 -4.880199 8.345321 5.971809 17.160800 -0.000629 221 C 12.604410 9.104130 23.303752 -0.003150 40.578782 0.40458793E+03 0.92476705E+04 10.174688 6.598070 0.082006 2.038501 0.999221 26.341223 72.223324 0.664101 0.403508 -1.083600 0.029364 -0.011736 -0.020133 0.037487 0.006167 0.013468 0.009212 -0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396672 22.145543 -3.456122 -5.132730 7.217763 3.947526 13.826709 0.012227 222 C 13.812120 9.253440 23.945438 -0.119603 35.818706 0.42720661E+03 0.10026887E+05 9.574158 6.983468 -0.117826 1.934180 0.999481 29.504255 85.502906 0.609596 0.428091 -1.054012 0.004160 -0.008466 -0.019736 0.021875 0.008414 -0.001836 -0.003546 -0.092562 0.061718 -0.057355 0.019796 0.037559 11.979439 20.944309 -1.322550 0.253523 5.971244 1.798331 9.022765 0.000342 223 C 15.023610 8.869770 23.378928 -0.009940 41.087721 0.41359465E+03 0.94983636E+04 10.234958 6.661682 0.082425 2.036541 0.999281 26.480796 72.594233 0.662839 0.402369 -1.085206 -0.034321 -0.004467 -0.015394 0.037879 -0.006058 -0.010423 0.015011 -0.009609 0.006877 -0.014555 -0.008176 0.022731 14.306401 22.720964 0.626335 5.639561 6.564452 3.059167 13.633789 0.012693 224 C 14.983920 8.342460 22.075419 -0.144653 37.200334 0.45716991E+03 0.10906741E+05 9.852381 7.225287 -0.061717 1.947312 0.999461 30.066463 87.667543 0.599549 0.428217 -1.054592 -0.005896 -0.001315 0.018375 0.019343 -0.006563 -0.031074 -0.022177 -0.035646 -0.075760 -0.053585 0.014838 0.038747 12.372527 13.000311 1.535435 4.664989 7.223653 4.993669 16.893617 -0.001365 225 C 11.326770 9.414090 23.996786 0.597467 24.180577 0.26111637E+03 0.54506221E+04 7.818041 5.738545 -0.010933 2.056370 0.999649 22.182848 61.792424 0.620431 0.472934 -1.022103 -0.050018 0.009159 0.023990 0.056224 0.003709 0.036792 -0.060923 -0.157909 -0.030738 -0.096093 -0.018782 0.114876 10.209346 15.623626 -2.527070 -4.624126 5.787792 2.253395 9.216621 -0.000695 226 C 16.306920 8.945370 24.106195 0.600689 23.889859 0.25635977E+03 0.53294538E+04 7.750889 5.686720 -0.030583 2.050263 0.999616 22.122793 61.599449 0.622828 0.473048 -1.021531 0.045095 -0.002212 0.029293 0.053820 0.022486 -0.045339 -0.059088 -0.149771 -0.021077 -0.095163 -0.022458 0.117621 10.003519 15.662235 0.722291 4.873354 5.401964 1.646998 8.946359 -0.000426 227 C 14.394240 3.564540 17.750413 0.073624 38.504238 0.46188700E+03 0.11014560E+05 10.230015 7.301570 -0.335803 1.898717 0.998974 27.578285 79.612790 0.593399 0.432841 -1.054918 -0.007861 0.025506 -0.001298 0.026721 -0.002483 -0.005464 -0.018366 -0.011095 0.091415 -0.023735 -0.014171 0.037906 14.286325 9.737540 0.384724 2.045503 13.611996 -9.118066 19.509440 0.000186 228 C 15.560370 3.521070 18.540439 -0.143502 37.141246 0.45067408E+03 0.10731514E+05 9.837890 7.159440 -0.068010 1.945709 0.999288 30.184224 88.415299 0.603088 0.426508 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0.42859616E+03 0.10036351E+05 9.676603 6.902064 0.115208 2.003545 0.999722 29.481930 84.475702 0.627534 0.416813 -1.064382 -0.000219 0.024545 -0.021382 0.032552 0.034292 -0.007118 -0.002830 0.027165 -0.033578 -0.031429 -0.012074 0.043503 12.670374 8.512793 0.677736 2.360109 10.947454 -7.769271 18.550874 0.000159 232 C 13.352850 2.685690 18.106495 -0.153452 38.143624 0.45302263E+03 0.10793335E+05 9.971492 7.154167 -0.026938 1.954137 0.999465 30.342557 88.684971 0.606793 0.423672 -1.056416 0.002266 -0.010999 0.034664 0.036438 0.011893 0.021701 0.012994 0.030172 -0.058837 -0.031052 -0.008435 0.039487 13.099963 8.540489 1.321942 1.479085 12.387778 -8.375074 18.371621 -0.000027 233 C 14.579460 1.247400 21.380706 0.078557 41.999777 0.39842734E+03 0.91094445E+04 10.553512 6.638308 -0.082804 1.984893 0.999240 26.242848 72.938830 0.645902 0.414760 -1.071750 0.000249 0.006286 0.005788 0.008548 0.009145 0.005654 -0.006133 0.016616 0.001368 -0.016350 0.003496 0.012854 15.434667 12.563141 -1.180805 0.912256 10.351702 -9.299540 23.389159 0.001089 234 C 15.738030 0.865620 22.012996 -0.146567 37.970148 0.43843813E+03 0.10369991E+05 10.018463 7.096844 -0.091711 1.941099 0.999489 29.924482 87.399002 0.601150 0.430778 -1.051095 -0.003147 -0.001314 0.021041 0.021315 0.014400 -0.031917 0.025285 -0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032918 13.592629 -3.380295 4.880199 8.345322 -5.971810 17.160803 -0.000630 235 C 15.745590 0.345870 23.303752 -0.003150 40.578769 0.40458781E+03 0.92476669E+04 10.174685 6.598069 0.082006 2.038502 0.999221 26.341219 72.223304 0.664102 0.403508 -1.083600 -0.029364 0.011736 -0.020133 0.037488 0.006167 -0.013468 -0.009212 -0.006445 0.014562 -0.014854 -0.005490 0.020344 14.396667 22.145534 -3.456120 5.132727 7.217761 -3.947525 13.826706 0.012230 236 C 14.537880 0.196560 23.945438 -0.119603 35.818705 0.42720658E+03 0.10026886E+05 9.574158 6.983468 -0.117826 1.934179 0.999481 29.504256 85.502912 0.609596 0.428091 -1.054012 -0.004160 0.008466 -0.019736 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-0.010932 2.056371 0.999649 22.182844 61.792406 0.620431 0.472934 -1.022103 0.050017 -0.009159 0.023990 0.056224 0.003709 -0.036792 0.060923 -0.157909 -0.030738 -0.096094 -0.018782 0.114876 10.209342 15.623620 -2.527068 4.624122 5.787789 -2.253393 9.216616 -0.000701 240 C 12.043080 0.504630 24.106195 0.600689 23.889892 0.25636011E+03 0.53294626E+04 7.750897 5.686724 -0.030585 2.050263 0.999616 22.122802 61.599479 0.622828 0.473048 -1.021531 -0.045095 0.002212 0.029293 0.053820 0.022486 0.045339 0.059088 -0.149770 -0.021077 -0.095162 -0.022458 0.117621 10.003533 15.662258 0.722295 -4.873365 5.401969 -1.647001 8.946371 -0.000427 241 C 3.564540 14.394240 0.969913 0.073624 38.504237 0.46188699E+03 0.11014559E+05 10.230015 7.301570 -0.335803 1.898717 0.998974 27.578285 79.612788 0.593399 0.432841 -1.054918 0.025506 -0.007861 -0.001298 0.026721 -0.002483 -0.018366 -0.005464 0.011095 0.091414 -0.023735 -0.014171 0.037906 14.286325 13.611996 0.384725 -9.118066 9.737540 2.045502 19.509439 0.000187 242 C 3.521070 15.560370 1.759939 -0.143502 37.141255 0.45067422E+03 0.10731519E+05 9.837891 7.159441 -0.068010 1.945709 0.999288 30.184229 88.415315 0.603088 0.426508 -1.053862 -0.007148 -0.008844 0.030186 0.032257 0.015118 0.003078 -0.009386 -0.035582 -0.061981 -0.024857 -0.009919 0.034776 12.914383 11.266253 -0.121025 -8.177513 8.948098 2.201448 18.528799 -0.000036 243 C 2.702700 15.647310 2.867116 -0.133602 35.845400 0.42056139E+03 0.97971200E+04 9.483558 6.826390 0.151233 2.017519 0.999753 29.240481 83.438272 0.632780 0.415512 -1.065714 0.020109 -0.011765 -0.017224 0.028973 0.000610 -0.001156 0.024364 -0.047369 -0.029229 -0.022102 -0.018294 0.040396 12.352598 11.345743 0.774550 -8.387226 8.500175 0.749447 17.211876 0.000134 244 C 1.914570 14.564340 3.288642 0.066064 41.207060 0.42200674E+03 0.97846394E+04 10.502746 6.861321 -0.111288 1.970688 0.999235 26.679117 74.582745 0.631471 0.418338 -1.069845 0.012810 -0.003702 0.002841 0.013633 -0.007179 -0.025241 0.003017 -0.015737 0.017515 -0.029536 0.003325 0.026211 15.434828 12.067210 0.802452 -10.603421 9.216202 1.494514 25.021071 0.000250 245 C 1.878660 13.436010 2.448611 -0.136878 36.884892 0.42859625E+03 0.10036354E+05 9.676605 6.902065 0.115207 2.003545 0.999722 29.481935 84.475722 0.627534 0.416813 -1.064382 0.024545 -0.000219 -0.021382 0.032552 0.034292 -0.002830 -0.007118 -0.027165 -0.033578 -0.031429 -0.012074 0.043503 12.670376 10.947456 0.677736 -7.769273 8.512795 2.360109 18.550878 0.000160 246 C 2.685690 13.352850 1.325995 -0.153453 38.143635 0.45302276E+03 0.10793339E+05 9.971494 7.154167 -0.026939 1.954137 0.999465 30.342563 88.684993 0.606793 0.423672 -1.056416 -0.010999 0.002266 0.034664 0.036438 0.011893 0.012994 0.021701 -0.030172 -0.058837 -0.031052 -0.008435 0.039487 13.099965 12.387781 1.321943 -8.375076 8.540490 1.479086 18.371625 -0.000029 247 C 1.247400 14.579460 4.600206 0.078557 41.999783 0.39842742E+03 0.91094466E+04 10.553513 6.638308 -0.082804 1.984892 0.999240 26.242851 72.938838 0.645902 0.414760 -1.071750 0.006286 0.000249 0.005788 0.008548 0.009145 -0.006133 0.005654 -0.016616 0.001369 -0.016350 0.003496 0.012854 15.434669 10.351703 -1.180806 -9.299542 12.563141 0.912257 23.389162 0.001089 248 C 0.865620 15.738030 5.232496 -0.146567 37.970139 0.43843802E+03 0.10369987E+05 10.018460 7.096842 -0.091710 1.941099 0.999489 29.924469 87.398942 0.601150 0.430778 -1.051095 -0.001314 -0.003147 0.021041 0.021315 0.014400 0.025285 -0.031917 0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032915 8.345321 -3.380295 -5.971809 13.592622 4.880198 17.160802 -0.000630 249 C 0.345870 15.745590 6.523252 -0.003150 40.578787 0.40458794E+03 0.92476708E+04 10.174688 6.598070 0.082005 2.038501 0.999221 26.341224 72.223324 0.664102 0.403508 -1.083600 0.011736 -0.029363 -0.020133 0.037487 0.006167 -0.009212 -0.013468 0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396673 7.217763 -3.456122 -3.947525 22.145548 5.132730 13.826708 0.012230 250 C 0.196560 14.537880 7.164938 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7.223651 1.535436 -4.993668 13.000308 -4.664990 16.893615 -0.001365 253 C 0.035910 17.023230 7.216286 0.597466 24.180577 0.26111637E+03 0.54506223E+04 7.818041 5.738546 -0.010933 2.056370 0.999649 22.182851 61.792436 0.620431 0.472934 -1.022103 -0.009159 0.050018 0.023990 0.056224 0.003709 0.060923 -0.036792 0.157910 -0.030738 -0.096093 -0.018782 0.114876 10.209346 5.787792 -2.527071 -2.253396 15.623623 4.624127 9.216623 -0.000701 254 C 0.504630 12.043080 7.325695 0.600690 23.889826 0.25635939E+03 0.53294443E+04 7.750882 5.686716 -0.030583 2.050264 0.999616 22.122783 61.599422 0.622828 0.473048 -1.021531 0.002212 -0.045095 0.029293 0.053820 0.022486 0.059088 0.045339 0.149771 -0.021078 -0.095163 -0.022458 0.117621 10.003509 5.401960 0.722290 -1.646996 15.662216 -4.873347 8.946351 -0.000425 255 C 5.885460 13.955760 0.969913 0.073624 38.504239 0.46188701E+03 0.11014560E+05 10.230015 7.301570 -0.335803 1.898717 0.998974 27.578286 79.612795 0.593399 0.432841 -1.054918 -0.025506 0.007861 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18.371625 -0.000024 261 C 8.202600 13.770540 4.600206 0.078557 41.999785 0.39842744E+03 0.91094472E+04 10.553513 6.638308 -0.082804 1.984892 0.999240 26.242852 72.938840 0.645902 0.414760 -1.071750 -0.006286 -0.000249 0.005788 0.008548 0.009145 0.006133 -0.005654 -0.016616 0.001369 -0.016351 0.003496 0.012854 15.434669 10.351703 -1.180805 9.299542 12.563141 -0.912255 23.389162 0.001086 262 C 8.584380 12.611970 5.232496 -0.146567 37.970124 0.43843783E+03 0.10369981E+05 10.018457 7.096841 -0.091708 1.941100 0.999489 29.924458 87.398895 0.601150 0.430778 -1.051095 0.001314 0.003147 0.021041 0.021315 0.014400 -0.025285 0.031917 0.037946 -0.070110 -0.057657 0.016923 0.040734 13.032911 8.345318 -3.380294 5.971807 13.592620 -4.880197 17.160795 -0.000626 263 C 9.104130 12.604410 6.523252 -0.003150 40.578761 0.40458766E+03 0.92476625E+04 10.174683 6.598067 0.082007 2.038502 0.999221 26.341213 72.223277 0.664102 0.403508 -1.083600 -0.011737 0.029363 -0.020133 0.037487 0.006167 0.009212 0.013468 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12.352598 8.500175 -0.774550 -0.749447 11.345743 -8.387226 17.211876 0.000132 272 C 13.785660 1.914570 3.288642 0.066064 41.207059 0.42200671E+03 0.97846386E+04 10.502746 6.861321 -0.111288 1.970688 0.999235 26.679116 74.582743 0.631471 0.418338 -1.069845 0.003702 0.012809 0.002841 0.013633 0.007179 -0.003017 -0.025241 0.015737 0.017515 -0.029536 0.003325 0.026211 15.434828 9.216202 -0.802452 -1.494513 12.067210 -10.603421 25.021072 0.000253 273 C 14.913990 1.878660 2.448611 -0.136879 36.884892 0.42859627E+03 0.10036355E+05 9.676606 6.902065 0.115208 2.003545 0.999722 29.481934 84.475719 0.627534 0.416813 -1.064382 0.000219 0.024545 -0.021382 0.032552 -0.034292 0.007118 -0.002830 0.027165 -0.033578 -0.031429 -0.012074 0.043503 12.670377 8.512795 -0.677735 -2.360109 10.947456 -7.769274 18.550880 0.000159 274 C 14.997150 2.685690 1.325995 -0.153453 38.143634 0.45302275E+03 0.10793338E+05 9.971494 7.154167 -0.026938 1.954137 0.999465 30.342562 88.684991 0.606793 0.423672 -1.056416 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23.889810 0.25635922E+03 0.53294400E+04 7.750879 5.686714 -0.030583 2.050264 0.999616 22.122779 61.599409 0.622828 0.473048 -1.021531 -0.045095 -0.002212 0.029293 0.053820 -0.022486 0.045339 -0.059089 -0.149771 -0.021078 -0.095163 -0.022458 0.117621 10.003503 15.662204 -0.722290 -4.873345 5.401958 1.646995 8.946348 -0.000427 297 C 15.335460 4.944240 15.810587 0.073624 38.504239 0.46188702E+03 0.11014561E+05 10.230015 7.301570 -0.335804 1.898717 0.998974 27.578286 79.612794 0.593399 0.432841 -1.054918 -0.025506 -0.007861 0.001298 0.026721 0.002483 -0.018367 0.005464 0.011095 0.091415 -0.023735 -0.014171 0.037906 14.286325 13.611996 -0.384725 -9.118066 9.737540 -2.045502 19.509440 0.000186 298 C 15.378930 6.110370 15.020561 -0.143502 37.141250 0.45067415E+03 0.10731517E+05 9.837890 7.159440 -0.068010 1.945709 0.999288 30.184228 88.415313 0.603088 0.426508 -1.053862 0.007148 -0.008844 -0.030186 0.032257 -0.015118 0.003078 0.009386 -0.035582 -0.061981 -0.024857 -0.009919 0.034776 12.914382 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0.43843794E+03 0.10369985E+05 10.018459 7.096841 -0.091710 1.941099 0.999489 29.924473 87.398956 0.601150 0.430778 -1.051095 0.001314 -0.003147 -0.021041 0.021315 -0.014400 0.025285 0.031917 0.037947 -0.070109 -0.057657 0.016923 0.040734 13.032912 8.345319 3.380295 -5.971807 13.592624 -4.880198 17.160794 -0.000628 305 C 18.554130 6.295590 10.257248 -0.003150 40.578767 0.40458777E+03 0.92476656E+04 10.174684 6.598068 0.082006 2.038502 0.999221 26.341217 72.223295 0.664102 0.403508 -1.083600 -0.011736 -0.029363 0.020133 0.037487 -0.006167 -0.009212 0.013468 0.006444 0.014561 -0.014854 -0.005490 0.020344 14.396666 7.217760 3.456120 -3.947523 22.145537 -5.132727 13.826702 0.012228 306 C 18.703440 5.087880 9.615562 -0.119603 35.818710 0.42720662E+03 0.10026888E+05 9.574159 6.983469 -0.117826 1.934180 0.999481 29.504255 85.502906 0.609596 0.428091 -1.054012 -0.008466 -0.004160 0.019736 0.021875 -0.008414 0.003546 -0.001836 0.092562 0.061718 -0.057355 0.019796 0.037559 11.979441 5.971244 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-0.016616 0.001369 -0.016350 0.003496 0.012854 15.434670 10.351704 1.180806 9.299543 12.563143 0.912258 23.389164 0.001086 318 C 10.315620 3.161970 11.548004 -0.146567 37.970126 0.43843784E+03 0.10369982E+05 10.018459 7.096841 -0.091709 1.941099 0.999489 29.924469 87.398943 0.601150 0.430778 -1.051095 -0.001314 0.003147 -0.021041 0.021315 -0.014400 -0.025285 -0.031917 0.037946 -0.070109 -0.057657 0.016923 0.040734 13.032913 8.345319 3.380296 5.971807 13.592625 4.880200 17.160795 -0.000627 319 C 9.795870 3.154410 10.257248 -0.003150 40.578787 0.40458796E+03 0.92476712E+04 10.174688 6.598070 0.082006 2.038501 0.999221 26.341224 72.223325 0.664102 0.403508 -1.083600 0.011737 0.029363 0.020134 0.037488 -0.006167 0.009212 -0.013468 0.006444 0.014560 -0.014854 -0.005490 0.020344 14.396673 7.217763 3.456122 3.947524 22.145550 5.132729 13.826707 0.012226 320 C 9.646560 4.362120 9.615562 -0.119603 35.818713 0.42720666E+03 0.10026889E+05 9.574159 6.983468 -0.117826 1.934179 0.999481 29.504257 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6.674560 0.369413 2.165667 0.999081 27.101410 70.311968 0.738157 0.356938 -1.139349 -0.008280 -0.009274 0.014866 0.019380 0.014893 0.011243 -0.016027 0.110063 0.078490 -0.073152 0.025020 0.048132 9.062699 6.773594 2.119855 -2.090723 10.328324 -3.972063 10.086179 0.057986 408 O 18.517464 8.644482 10.215633 -0.550641 32.891772 0.50814947E+03 0.12036717E+05 8.167996 6.918900 0.350404 2.145874 0.999153 27.758138 72.272628 0.731940 0.353276 -1.144329 0.006174 -0.023273 -0.002363 0.024193 -0.015380 0.029666 0.027866 -0.022953 -0.116992 -0.063981 0.022231 0.041750 9.672348 6.117244 1.268718 -0.410979 15.821303 -2.075235 7.078495 0.068001 409 O 10.504053 7.852194 10.003527 -0.538157 32.515313 0.49908236E+03 0.11780187E+05 8.121340 6.884768 0.319295 2.140814 0.998956 27.542766 71.810623 0.728599 0.356154 -1.140912 -0.001218 -0.024545 -0.001454 0.024618 0.013655 -0.039637 0.037453 0.012647 -0.132944 -0.078514 0.032202 0.046312 9.498257 6.228961 0.404558 0.249999 15.614823 -2.282014 6.650988 0.063423 410 O 9.346617 6.858621 8.336888 -0.526155 30.637576 0.46272560E+03 0.10715849E+05 7.782448 6.596883 0.403002 2.174219 0.999248 27.111060 69.980623 0.749925 0.352684 -1.143878 0.013292 -0.010172 0.019119 0.025410 -0.028202 -0.002140 -0.015749 0.071293 0.082730 -0.061956 0.027797 0.034159 9.074838 6.404332 -1.633505 1.828800 11.046086 -4.076134 9.774096 0.062830 411 O 8.961435 1.902474 8.431866 -0.518578 30.635699 0.46803699E+03 0.10880364E+05 7.812366 6.674531 0.369419 2.165670 0.999081 27.101339 70.311678 0.738159 0.356938 -1.139349 0.008280 0.009273 0.014866 0.019379 0.014894 -0.011242 0.016028 0.110062 0.078493 -0.073152 0.025022 0.048131 9.062659 6.773565 2.119844 2.090717 10.328274 3.972044 10.086138 0.057987 412 O 9.832536 0.805518 10.215633 -0.550643 32.891873 0.50815142E+03 0.12036776E+05 8.168016 6.918916 0.350401 2.145872 0.999153 27.758179 72.272796 0.731939 0.353276 -1.144329 -0.006174 0.023273 -0.002363 0.024194 -0.015380 -0.029666 -0.027865 -0.022951 -0.116992 -0.063981 0.022232 0.041749 9.672373 6.117260 1.268725 0.410981 15.821345 2.075245 7.078514 0.067999 413 O 1.597806 10.504053 10.003527 -0.538157 32.515319 0.49908253E+03 0.11780192E+05 8.121341 6.884770 0.319295 2.140814 0.998956 27.542771 71.810642 0.728599 0.356154 -1.140911 0.024545 -0.001218 -0.001454 0.024618 -0.013655 -0.037453 -0.039637 -0.012648 -0.132944 -0.078514 0.032201 0.046313 9.498258 15.614823 -0.404557 2.282016 6.228962 0.249999 6.650990 0.063423 414 O 2.591379 9.346617 8.336888 -0.526152 30.637425 0.46272275E+03 0.10715765E+05 7.782418 6.596859 0.403008 2.174222 0.999248 27.110995 69.980365 0.749927 0.352683 -1.143879 0.010172 0.013292 0.019119 0.025410 0.028202 0.015750 -0.002139 -0.071292 0.082732 -0.061956 0.027796 0.034159 9.074801 11.046035 1.633497 4.076115 6.404308 1.828794 9.774060 0.062832 415 O 7.547526 8.961435 8.431866 -0.518584 30.635978 0.46804248E+03 0.10880527E+05 7.812422 6.674579 0.369409 2.165664 0.999081 27.101466 70.312184 0.738155 0.356939 -1.139348 -0.009274 0.008280 0.014866 0.019380 -0.014893 -0.016027 -0.011244 -0.110063 0.078488 -0.073152 0.025019 0.048133 9.062726 10.328357 -2.119862 -3.972076 6.773615 2.090728 10.086207 0.057985 416 O 8.644482 9.832536 10.215633 -0.550641 32.891785 0.50814963E+03 0.12036722E+05 8.167999 6.918901 0.350403 2.145873 0.999153 27.758138 72.272633 0.731940 0.353276 -1.144329 -0.023273 -0.006174 -0.002363 0.024193 0.015380 0.027866 -0.029666 0.022953 -0.116993 -0.063981 0.022231 0.041750 9.672351 15.821311 -1.268718 -2.075236 6.117246 0.410980 7.078498 0.067999 417 O 7.852194 17.845947 10.003527 -0.538159 32.515401 0.49908410E+03 0.11780239E+05 8.121358 6.884783 0.319292 2.140812 0.998956 27.542804 71.810780 0.728597 0.356154 -1.140911 -0.024546 0.001218 -0.001454 0.024619 -0.013655 0.037452 0.039637 -0.012649 -0.132943 -0.078514 0.032201 0.046313 9.498280 15.614859 -0.404556 -2.282026 6.228975 -0.249999 6.651005 0.063423 418 O 6.858621 0.103383 8.336888 -0.526148 30.637228 0.46271897E+03 0.10715654E+05 7.782379 6.596826 0.403016 2.174226 0.999248 27.110906 69.980015 0.749930 0.352683 -1.143879 -0.010171 -0.013292 0.019118 0.025409 0.028202 -0.015750 0.002138 -0.071291 0.082736 -0.061956 0.027795 0.034161 9.074753 11.045971 1.633488 -4.076091 6.404276 -1.828786 9.774012 0.062830 419 O 1.902474 0.488565 8.431866 -0.518581 30.635825 0.46803948E+03 0.10880438E+05 7.812391 6.674553 0.369415 2.165668 0.999081 27.101397 70.311908 0.738158 0.356938 -1.139349 0.009274 -0.008280 0.014866 0.019380 -0.014893 0.016027 0.011243 -0.110062 0.078491 -0.073152 0.025020 0.048132 9.062690 10.328314 -2.119852 3.972059 6.773587 -2.090721 10.086168 0.057986 420 O 0.805518 18.517464 10.215633 -0.550639 32.891645 0.50814693E+03 0.12036641E+05 8.167971 6.918879 0.350409 2.145877 0.999153 27.758082 72.272403 0.731942 0.353275 -1.144330 0.023272 0.006174 -0.002363 0.024193 0.015381 -0.027866 0.029665 0.022955 -0.116993 -0.063981 0.022230 0.041751 9.672317 15.821253 -1.268711 2.075226 6.117224 -0.410978 7.078473 0.068001 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 15.846062 The total net atomic charge of the unit cell is -0.000029 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 1480480 The rms potential error without charges in kcal/mol is= 3.32914 The rms potential error with partial charges in kcal/mol is= 0.90712 The RRMSE value at monopole order= 0.27248 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.91203 The RRMSE value at monopole order with cloud penetration is= 0.27395 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.49869 The RRMSE value at dipole order= 0.14979 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.48392 The RRMSE value at dipole order with cloud penetration= 0.14536 ****************************************************** The electron densities and ab initio electrostatic potential were computed in VASP using the PBE functional and projector augmented wave method. See the main text of the journal article for a description of computational details. The atomic charges, dipoles, and quadrupoles were computed with the DDEC6 method as described in (a) T. A. Manz and N. Gabaldon Limas, RSC Adv. 6 (2016) 47771-47801 DOI: 10.1039/c6ra04656h (b) N. Gabaldon Limas and T. A. Manz, RSC Adv. 8 (2018) 2678-2707 DOI: 10.1039/c7ra11829e. For each atom in the material, the electron cloud parameters were fit to the spherically averaged atom-in-material electron density using radial positions for which this density was between 10^-4 and 10^-2 electrons per cubic bohr. The polarizabilities, dispersion coefficients, and quantum Drude oscillator (QDO) parameters were fit using the MCLF method. The magnetic structure of the system was optimized in VASP from the default ferromagnetic initial guess using spin polarization. The atomic spin moments (ASMs) were computed on this optimized magnetic structure using the DDEC6 partition as inputs to the method of T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. 7 (2011) 4146-4164 DOI: 10.1021/ct200539n. The RMSE and RRMSE were computed using a uniform grid with Ewald summation.