252 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 18.549000 0.000000 0.000000 }, { 0.000000 18.549000 0.000000 }, { 0.000000 0.000000 18.549000 }] Ni 0.000000 11.479049 9.274500 0.249397 Ni 0.000000 7.069951 9.274500 0.249392 Ni 9.274500 0.000000 11.479049 0.249402 Ni 9.274500 0.000000 7.069951 0.249395 Ni 11.479049 9.274500 0.000000 0.249389 Ni 7.069951 9.274500 0.000000 0.249398 Ni 11.479049 0.000000 9.274500 0.249392 Ni 7.069951 0.000000 9.274500 0.249395 Ni 0.000000 9.274500 7.069951 0.249356 Ni 0.000000 9.274500 11.479049 0.249393 Ni 9.274500 11.479049 0.000000 0.249397 Ni 9.274500 7.069951 0.000000 0.249402 H 15.850121 13.228219 10.394489 0.114972 H 2.698879 5.320781 10.394489 0.114969 H 2.698879 13.228219 8.154511 0.114966 H 15.850121 5.320781 8.154511 0.114967 H 10.394489 15.850121 13.228219 0.114971 H 10.394489 2.698879 5.320781 0.114968 H 8.154511 2.698879 13.228219 0.114967 H 8.154511 15.850121 5.320781 0.114969 H 13.228219 10.394489 15.850121 0.114973 H 5.320781 10.394489 2.698879 0.114971 H 13.228219 8.154511 2.698879 0.114971 H 5.320781 8.154511 15.850121 0.114971 H 13.228219 15.850121 8.154511 0.114972 H 5.320781 2.698879 8.154511 0.114969 H 13.228219 2.698879 10.394489 0.114970 H 5.320781 15.850121 10.394489 0.114970 H 15.850121 10.394489 5.320781 0.114967 H 2.698879 10.394489 13.228219 0.114968 H 2.698879 8.154511 5.320781 0.114965 H 15.850121 8.154511 13.228219 0.114970 H 10.394489 13.228219 2.698879 0.114970 H 10.394489 5.320781 15.850121 0.114971 H 8.154511 13.228219 15.850121 0.114972 H 8.154511 5.320781 2.698879 0.114969 H 2.698879 5.320781 8.154511 0.114965 H 15.850121 13.228219 8.154511 0.114969 H 15.850121 5.320781 10.394489 0.114970 H 2.698879 13.228219 10.394489 0.114969 H 8.154511 2.698879 5.320781 0.114968 H 8.154511 15.850121 13.228219 0.114971 H 10.394489 15.850121 5.320781 0.114970 H 10.394489 2.698879 13.228219 0.114968 H 5.320781 8.154511 2.698879 0.114971 H 13.228219 8.154511 15.850121 0.114973 H 5.320781 10.394489 15.850121 0.114971 H 13.228219 10.394489 2.698879 0.114971 H 5.320781 2.698879 10.394489 0.114969 H 13.228219 15.850121 10.394489 0.114973 H 5.320781 15.850121 8.154511 0.114970 H 13.228219 2.698879 8.154511 0.114969 H 2.698879 8.154511 13.228219 0.114967 H 15.850121 8.154511 5.320781 0.114966 H 15.850121 10.394489 13.228219 0.114971 H 2.698879 10.394489 5.320781 0.114966 H 8.154511 5.320781 15.850121 0.114970 H 8.154511 13.228219 2.698879 0.114970 H 10.394489 5.320781 2.698879 0.114970 H 10.394489 13.228219 15.850121 0.114973 H 14.321868 14.321868 11.466435 0.115778 H 4.226946 4.226946 11.466435 0.115724 H 4.226946 14.321868 7.082565 0.115820 H 14.321868 4.226946 7.082565 0.115820 H 11.466435 14.321868 14.321868 0.115777 H 11.466435 4.226946 4.226946 0.115722 H 7.082565 4.226946 14.321868 0.115819 H 7.082565 14.321868 4.226946 0.115819 H 14.321868 11.466435 14.321868 0.115778 H 4.226946 11.466435 4.226946 0.115723 H 14.321868 7.082565 4.226946 0.115820 H 4.226946 7.082565 14.321868 0.115819 H 14.321868 14.321868 7.082565 0.115780 H 4.226946 4.226946 7.082565 0.115725 H 14.321868 4.226946 11.466435 0.115818 H 4.226946 14.321868 11.466435 0.115818 H 14.321868 11.466435 4.226946 0.115818 H 4.226946 11.466435 14.321868 0.115817 H 4.226946 7.082565 4.226946 0.115725 H 14.321868 7.082565 14.321868 0.115780 H 11.466435 14.321868 4.226946 0.115816 H 11.466435 4.226946 14.321868 0.115817 H 7.082565 14.321868 14.321868 0.115780 H 7.082565 4.226946 4.226946 0.115724 C 16.057684 12.442669 10.886594 -0.085942 C 2.491316 6.106331 10.886594 -0.085946 C 2.491316 12.442669 7.662406 -0.085949 C 16.057684 6.106331 7.662406 -0.085947 C 10.886594 16.057684 12.442669 -0.085943 C 10.886594 2.491316 6.106331 -0.085947 C 7.662406 2.491316 12.442669 -0.085945 C 7.662406 16.057684 6.106331 -0.085942 C 12.442669 10.886594 16.057684 -0.085942 C 6.106331 10.886594 2.491316 -0.085946 C 12.442669 7.662406 2.491316 -0.085943 C 6.106331 7.662406 16.057684 -0.085941 C 12.442669 16.057684 7.662406 -0.085944 C 6.106331 2.491316 7.662406 -0.085947 C 12.442669 2.491316 10.886594 -0.085943 C 6.106331 16.057684 10.886594 -0.085940 C 16.057684 10.886594 6.106331 -0.085943 C 2.491316 10.886594 12.442669 -0.085945 C 2.491316 7.662406 6.106331 -0.085950 C 16.057684 7.662406 12.442669 -0.085946 C 10.886594 12.442669 2.491316 -0.085945 C 10.886594 6.106331 16.057684 -0.085941 C 7.662406 12.442669 16.057684 -0.085944 C 7.662406 6.106331 2.491316 -0.085947 C 2.491316 6.106331 7.662406 -0.085955 C 16.057684 12.442669 7.662406 -0.085952 C 16.057684 6.106331 10.886594 -0.085944 C 2.491316 12.442669 10.886594 -0.085947 C 7.662406 2.491316 6.106331 -0.085951 C 7.662406 16.057684 12.442669 -0.085948 C 10.886594 16.057684 6.106331 -0.085945 C 10.886594 2.491316 12.442669 -0.085948 C 6.106331 7.662406 2.491316 -0.085950 C 12.442669 7.662406 16.057684 -0.085947 C 6.106331 10.886594 16.057684 -0.085944 C 12.442669 10.886594 2.491316 -0.085947 C 6.106331 2.491316 10.886594 -0.085949 C 12.442669 16.057684 10.886594 -0.085945 C 6.106331 16.057684 7.662406 -0.085946 C 12.442669 2.491316 7.662406 -0.085949 C 2.491316 7.662406 12.442669 -0.085950 C 16.057684 7.662406 6.106331 -0.085949 C 16.057684 10.886594 12.442669 -0.085947 C 2.491316 10.886594 6.106331 -0.085953 C 7.662406 6.106331 16.057684 -0.085945 C 7.662406 12.442669 2.491316 -0.085948 C 10.886594 6.106331 2.491316 -0.085951 C 10.886594 12.442669 16.057684 -0.085947 C 14.467107 12.789350 12.789350 0.128558 C 15.492496 12.064270 12.064270 -0.016368 C 4.081893 5.759650 12.789350 0.128462 C 3.056504 6.484730 12.064270 -0.016357 C 4.081893 12.789350 5.759650 0.128462 C 3.056504 12.064270 6.484730 -0.016359 C 14.467107 5.759650 5.759650 0.128533 C 15.492496 6.484730 6.484730 -0.016366 C 12.789350 14.467107 12.789350 0.128556 C 12.064270 15.492496 12.064270 -0.016366 C 12.789350 4.081893 5.759650 0.128459 C 12.064270 3.056504 6.484730 -0.016354 C 5.759650 4.081893 12.789350 0.128460 C 6.484730 3.056504 12.064270 -0.016354 C 5.759650 14.467107 5.759650 0.128530 C 6.484730 15.492496 6.484730 -0.016362 C 12.789350 12.789350 14.467107 0.128557 C 12.064270 12.064270 15.492496 -0.016367 C 5.759650 12.789350 4.081893 0.128459 C 6.484730 12.064270 3.056504 -0.016353 C 12.789350 5.759650 4.081893 0.128459 C 12.064270 6.484730 3.056504 -0.016354 C 5.759650 5.759650 14.467107 0.128531 C 6.484730 6.484730 15.492496 -0.016362 C 12.789350 14.467107 5.759650 0.128544 C 12.064270 15.492496 6.484730 -0.016364 C 5.759650 4.081893 5.759650 0.128418 C 6.484730 3.056504 6.484730 -0.016348 C 12.789350 4.081893 12.789350 0.128499 C 12.064270 3.056504 12.064270 -0.016359 C 5.759650 14.467107 12.789350 0.128545 C 6.484730 15.492496 12.064270 -0.016364 C 14.467107 12.789350 5.759650 0.128547 C 15.492496 12.064270 6.484730 -0.016369 C 4.081893 12.789350 12.789350 0.128501 C 3.056504 12.064270 12.064270 -0.016361 C 4.081893 5.759650 5.759650 0.128420 C 3.056504 6.484730 6.484730 -0.016353 C 14.467107 5.759650 12.789350 0.128547 C 15.492496 6.484730 12.064270 -0.016367 C 12.789350 12.789350 4.081893 0.128499 C 12.064270 12.064270 3.056504 -0.016359 C 12.789350 5.759650 14.467107 0.128545 C 12.064270 6.484730 15.492496 -0.016365 C 5.759650 12.789350 14.467107 0.128545 C 6.484730 12.064270 15.492496 -0.016365 C 5.759650 5.759650 4.081893 0.128417 C 6.484730 6.484730 3.056504 -0.016347 C 13.981865 13.981865 12.285559 -0.247720 C 4.567135 4.567135 12.285559 -0.247546 C 4.567135 13.981865 6.263441 -0.247716 C 13.981865 4.567135 6.263441 -0.247715 C 12.285559 13.981865 13.981865 -0.247721 C 12.285559 4.567135 4.567135 -0.247549 C 6.263441 4.567135 13.981865 -0.247717 C 6.263441 13.981865 4.567135 -0.247718 C 13.981865 12.285559 13.981865 -0.247721 C 4.567135 12.285559 4.567135 -0.247546 C 13.981865 6.263441 4.567135 -0.247715 C 4.567135 6.263441 13.981865 -0.247716 C 13.981865 13.981865 6.263441 -0.247716 C 4.567135 4.567135 6.263441 -0.247535 C 13.981865 4.567135 12.285559 -0.247723 C 4.567135 13.981865 12.285559 -0.247723 C 13.981865 12.285559 4.567135 -0.247723 C 4.567135 12.285559 13.981865 -0.247724 C 4.567135 6.263441 4.567135 -0.247535 C 13.981865 6.263441 13.981865 -0.247717 C 12.285559 13.981865 4.567135 -0.247725 C 12.285559 4.567135 13.981865 -0.247725 C 6.263441 13.981865 13.981865 -0.247717 C 6.263441 4.567135 4.567135 -0.247538 N 16.972335 11.498711 10.537130 -0.081514 N 1.576665 7.050289 10.537130 -0.081511 N 1.576665 11.498711 8.011870 -0.081515 N 16.972335 7.050289 8.011870 -0.081517 N 10.537130 16.972335 11.498711 -0.081515 N 10.537130 1.576665 7.050289 -0.081513 N 8.011870 1.576665 11.498711 -0.081515 N 8.011870 16.972335 7.050289 -0.081517 N 11.498711 10.537130 16.972335 -0.081515 N 7.050289 10.537130 1.576665 -0.081513 N 11.498711 8.011870 1.576665 -0.081514 N 7.050289 8.011870 16.972335 -0.081516 N 11.498711 16.972335 8.011870 -0.081516 N 7.050289 1.576665 8.011870 -0.081514 N 11.498711 1.576665 10.537130 -0.081514 N 7.050289 16.972335 10.537130 -0.081516 N 16.972335 10.537130 7.050289 -0.081510 N 1.576665 10.537130 11.498711 -0.081512 N 1.576665 8.011870 7.050289 -0.081508 N 16.972335 8.011870 11.498711 -0.081515 N 10.537130 11.498711 1.576665 -0.081514 N 10.537130 7.050289 16.972335 -0.081516 N 8.011870 11.498711 16.972335 -0.081516 N 8.011870 7.050289 1.576665 -0.081515 N 1.576665 7.050289 8.011870 -0.081480 N 16.972335 11.498711 8.011870 -0.081483 N 16.972335 7.050289 10.537130 -0.081480 N 1.576665 11.498711 10.537130 -0.081478 N 8.011870 1.576665 7.050289 -0.081480 N 8.011870 16.972335 11.498711 -0.081482 N 10.537130 16.972335 7.050289 -0.081482 N 10.537130 1.576665 11.498711 -0.081480 N 7.050289 8.011870 1.576665 -0.081480 N 11.498711 8.011870 16.972335 -0.081482 N 7.050289 10.537130 16.972335 -0.081482 N 11.498711 10.537130 1.576665 -0.081480 N 7.050289 1.576665 10.537130 -0.081479 N 11.498711 16.972335 10.537130 -0.081481 N 7.050289 16.972335 8.011870 -0.081483 N 11.498711 1.576665 8.011870 -0.081481 N 1.576665 8.011870 11.498711 -0.081480 N 16.972335 8.011870 7.050289 -0.081477 N 16.972335 10.537130 11.498711 -0.081480 N 1.576665 10.537130 7.050289 -0.081473 N 8.011870 7.050289 16.972335 -0.081483 N 8.011870 11.498711 1.576665 -0.081481 N 10.537130 7.050289 1.576665 -0.081480 N 10.537130 11.498711 16.972335 -0.081481 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 Ni 0.000000 11.479049 9.274500 0.249397 223.577061 0.37695915E+04 0.14162106E+06 26.973473 18.340283 0.417727 1.895766 0.997809 59.939778 172.616361 0.487218 0.334618 -1.206983 0.000000 -0.004378 -0.000004 0.004378 0.000001 -0.000001 0.000000 0.029021 0.118369 -0.034239 -0.005218 0.039456 41.779075 69.145882 0.000061 -0.000334 15.561443 -0.000003 40.629899 -0.000001 2 Ni 0.000000 7.069951 9.274500 0.249392 223.577815 0.37696085E+04 0.14162187E+06 26.973539 18.340328 0.417726 1.895765 0.997809 59.939888 172.616836 0.487217 0.334618 -1.206982 -0.000000 0.004376 -0.000004 0.004376 -0.000001 0.000001 -0.000000 0.029023 0.118371 -0.034240 -0.005217 0.039457 41.779218 69.146203 -0.000055 0.000370 15.561460 0.000001 40.629990 -0.000011 3 Ni 9.274500 0.000000 11.479049 0.249402 223.576314 0.37695781E+04 0.14162040E+06 26.973396 18.340235 0.417735 1.895769 0.997809 59.939734 172.616024 0.487220 0.334617 -1.206983 -0.000000 0.000000 -0.004373 0.004373 -0.000001 -0.000000 0.000001 0.044674 -0.102713 -0.034238 -0.005218 0.039456 41.778936 40.629765 -0.000339 -0.000006 69.145650 0.000064 15.561394 -0.000016 4 Ni 9.274500 0.000000 7.069951 0.249395 223.577173 0.37695947E+04 0.14162119E+06 26.973469 18.340277 0.417732 1.895767 0.997809 59.939852 172.616515 0.487219 0.334617 -1.206983 -0.000000 -0.000000 0.004369 0.004369 0.000001 0.000000 -0.000001 0.044674 -0.102715 -0.034238 -0.005218 0.039456 41.779111 40.629889 0.000365 0.000003 69.146031 -0.000056 15.561414 -0.000006 5 Ni 11.479049 9.274500 0.000000 0.249389 223.577881 0.37696073E+04 0.14162180E+06 26.973526 18.340314 0.417734 1.895767 0.997809 59.939929 172.616864 0.487218 0.334618 -1.206983 -0.004371 0.000000 0.000000 0.004371 -0.000001 0.000001 -0.000001 -0.073692 -0.015656 -0.034237 -0.005219 0.039455 41.779155 15.561470 -0.000006 0.000056 40.629979 -0.000335 69.146016 -0.000025 6 Ni 7.069951 9.274500 0.000000 0.249398 223.576895 0.37695882E+04 0.14162088E+06 26.973446 18.340260 0.417736 1.895769 0.997809 59.939806 172.616322 0.487219 0.334617 -1.206983 0.004371 0.000000 0.000000 0.004371 0.000001 -0.000001 0.000001 -0.073690 -0.015657 -0.034236 -0.005219 0.039455 41.779082 15.561401 0.000004 -0.000047 40.629846 0.000366 69.145998 0.000012 7 Ni 11.479049 0.000000 9.274500 0.249392 223.577552 0.37696016E+04 0.14162152E+06 26.973498 18.340299 0.417735 1.895768 0.997809 59.939889 172.616699 0.487218 0.334617 -1.206983 -0.004370 0.000000 -0.000001 0.004370 0.000001 0.000000 0.000001 -0.029020 0.118365 -0.034238 -0.005217 0.039455 41.779105 15.561453 0.000058 -0.000007 69.145944 0.000367 40.629919 -0.000013 8 Ni 7.069951 0.000000 9.274500 0.249395 223.577139 0.37695956E+04 0.14162124E+06 26.973467 18.340282 0.417736 1.895768 0.997809 59.939849 172.616523 0.487219 0.334617 -1.206983 0.004369 -0.000000 -0.000001 0.004369 -0.000001 -0.000000 -0.000001 -0.029021 0.118366 -0.034238 -0.005217 0.039455 41.779093 15.561413 -0.000053 0.000005 69.146012 -0.000336 40.629853 -0.000002 9 Ni 0.000000 9.274500 7.069951 0.249356 223.583084 0.37697172E+04 0.14162708E+06 26.973992 18.340636 0.417722 1.895758 0.997809 59.940553 172.619838 0.487211 0.334620 -1.206980 -0.000000 -0.000001 0.004365 0.004365 -0.000001 -0.000001 0.000000 -0.044673 -0.102762 -0.034254 -0.005209 0.039463 41.779896 69.147279 -0.000343 -0.000053 40.630687 0.000002 15.561722 0.000008 10 Ni 0.000000 9.274500 11.479049 0.249393 223.577726 0.37696060E+04 0.14162175E+06 26.973524 18.340320 0.417731 1.895767 0.997809 59.939878 172.616758 0.487218 0.334618 -1.206983 0.000000 -0.000001 -0.004377 0.004377 0.000001 0.000001 -0.000000 -0.044672 -0.102717 -0.034239 -0.005216 0.039455 41.779143 69.146017 0.000365 0.000061 40.629941 -0.000004 15.561471 -0.000009 11 Ni 9.274500 11.479049 0.000000 0.249397 223.577178 0.37695911E+04 0.14162103E+06 26.973471 18.340272 0.417735 1.895768 0.997809 59.939816 172.616406 0.487219 0.334617 -1.206983 0.000000 -0.004373 0.000000 0.004373 -0.000001 0.000001 0.000001 0.073694 -0.015653 -0.034238 -0.005218 0.039456 41.779091 40.629910 -0.000007 0.000369 15.561438 0.000070 69.145926 0.000005 12 Ni 9.274500 7.069951 0.000000 0.249402 223.576122 0.37695730E+04 0.14162016E+06 26.973384 18.340221 0.417734 1.895769 0.997809 59.939699 172.615880 0.487220 0.334617 -1.206984 0.000000 0.004373 0.000000 0.004373 0.000001 -0.000001 -0.000001 0.073688 -0.015658 -0.034235 -0.005219 0.039454 41.778990 40.629749 0.000005 -0.000334 15.561366 -0.000063 69.145855 0.000014 13 H 15.850121 13.228219 10.394489 0.114972 1.255782 0.91845256E+01 0.92549558E+02 1.864659 1.732160 -0.987195 2.406456 0.997788 3.478148 9.596941 0.496178 1.225041 -0.722782 -0.012518 0.037377 -0.017974 0.043322 -0.012518 -0.008231 -0.011552 -0.020143 -0.001916 -0.023020 0.003624 0.019396 1.907952 1.665056 -0.331568 0.016158 2.097501 -0.360031 1.961298 0.000000 14 H 2.698879 5.320781 10.394489 0.114969 1.255769 0.91844274E+01 0.92548507E+02 1.864652 1.732154 -0.987308 2.406395 0.997787 3.478229 9.597224 0.496177 1.225046 -0.722780 0.012515 -0.037374 -0.017978 0.043321 -0.012510 0.008226 0.011557 -0.020144 -0.001910 -0.023014 0.003617 0.019397 1.907946 1.665055 -0.331583 -0.016151 2.097492 0.360011 1.961290 -0.000000 15 H 2.698879 13.228219 8.154511 0.114966 1.255788 0.91845693E+01 0.92550123E+02 1.864659 1.732158 -0.987370 2.406365 0.997786 3.478222 9.597156 0.496181 1.225032 -0.722783 0.012515 0.037376 0.017977 0.043322 0.012513 -0.008227 0.011555 -0.020146 -0.001910 -0.023016 0.003619 0.019397 1.907955 1.665064 0.331583 0.016144 2.097499 0.360013 1.961302 0.000000 16 H 15.850121 5.320781 8.154511 0.114967 1.255794 0.91846484E+01 0.92551142E+02 1.864670 1.732170 -0.987252 2.406423 0.997787 3.478207 9.597134 0.496177 1.225039 -0.722782 -0.012516 -0.037375 0.017976 0.043321 0.012513 0.008228 -0.011554 -0.020144 -0.001910 -0.023016 0.003620 0.019396 1.907962 1.665064 0.331576 -0.016161 2.097515 -0.360031 1.961305 0.000000 17 H 10.394489 15.850121 13.228219 0.114971 1.255776 0.91844600E+01 0.92548635E+02 1.864644 1.732147 -0.987194 2.406456 0.997788 3.478138 9.596867 0.496184 1.225032 -0.722784 -0.017974 -0.012518 0.037377 0.043322 -0.008231 -0.011552 -0.012517 0.009114 0.031172 -0.023020 0.003624 0.019396 1.907935 1.961281 0.016158 -0.360026 1.665043 -0.331563 2.097483 -0.000001 18 H 10.394489 2.698879 5.320781 0.114968 1.255760 0.91843424E+01 0.92547317E+02 1.864633 1.732137 -0.987308 2.406394 0.997787 3.478217 9.597133 0.496184 1.225033 -0.722782 -0.017978 0.012515 -0.037374 0.043321 0.008226 0.011557 -0.012510 0.009117 0.031171 -0.023014 0.003617 0.019397 1.907925 1.961268 -0.016151 0.360004 1.665039 -0.331578 2.097469 -0.000001 19 H 8.154511 2.698879 13.228219 0.114967 1.255773 0.91844274E+01 0.92548275E+02 1.864639 1.732141 -0.987363 2.406369 0.997786 3.478197 9.597045 0.496186 1.225027 -0.722784 0.017977 0.012516 0.037376 0.043322 -0.008227 0.011555 0.012512 0.009118 0.031175 -0.023016 0.003619 0.019397 1.907934 1.961280 0.016144 0.360008 1.665047 0.331577 2.097476 -0.000001 20 H 8.154511 15.850121 5.320781 0.114969 1.255774 0.91844582E+01 0.92548621E+02 1.864639 1.732143 -0.987247 2.406427 0.997787 3.478175 9.596972 0.496186 1.225026 -0.722785 0.017976 -0.012516 -0.037376 0.043321 0.008228 -0.011554 0.012513 0.009116 0.031172 -0.023016 0.003620 0.019396 1.907929 1.961271 -0.016162 -0.360023 1.665038 0.331567 2.097478 -0.000001 21 H 13.228219 10.394489 15.850121 0.114973 1.255777 0.91844753E+01 0.92548881E+02 1.864650 1.732152 -0.987192 2.406457 0.997788 3.478140 9.596895 0.496181 1.225037 -0.722783 0.037377 -0.017974 -0.012518 0.043322 -0.011552 -0.012518 -0.008231 0.011029 -0.029256 -0.023020 0.003624 0.019396 1.907942 2.097490 -0.360028 -0.331565 1.961287 0.016158 1.665048 0.000000 22 H 5.320781 10.394489 2.698879 0.114971 1.255755 0.91843018E+01 0.92546816E+02 1.864629 1.732134 -0.987303 2.406397 0.997787 3.478208 9.597107 0.496184 1.225034 -0.722782 -0.037375 -0.017978 0.012515 0.043321 0.011557 -0.012510 0.008226 0.011027 -0.029262 -0.023014 0.003617 0.019397 1.907921 2.097464 0.360004 -0.331577 1.961264 -0.016151 1.665036 0.000001 23 H 13.228219 8.154511 2.698879 0.114971 1.255762 0.91843201E+01 0.92546868E+02 1.864622 1.732126 -0.987358 2.406372 0.997786 3.478178 9.596957 0.496190 1.225021 -0.722786 0.037376 0.017977 0.012516 0.043322 0.011556 0.012512 -0.008227 0.011029 -0.029264 -0.023016 0.003618 0.019397 1.907916 2.097455 0.360003 0.331572 1.961261 0.016144 1.665032 0.000001 24 H 5.320781 8.154511 15.850121 0.114971 1.255778 0.91845066E+01 0.92549356E+02 1.864655 1.732157 -0.987243 2.406430 0.997787 3.478181 9.597044 0.496179 1.225039 -0.722782 -0.037376 0.017976 -0.012516 0.043321 -0.011554 0.012513 0.008228 0.011027 -0.029260 -0.023016 0.003620 0.019396 1.907946 2.097498 -0.360027 0.331572 1.961289 -0.016162 1.665052 0.000000 25 H 13.228219 15.850121 8.154511 0.114972 1.255775 0.91844592E+01 0.92548670E+02 1.864648 1.732150 -0.987189 2.406458 0.997788 3.478138 9.596884 0.496182 1.225036 -0.722783 0.037377 -0.012518 0.017974 0.043322 -0.012518 0.011552 0.008231 0.020143 -0.001916 -0.023020 0.003624 0.019396 1.907939 2.097486 -0.331564 0.360027 1.665046 -0.016156 1.961286 -0.000000 26 H 5.320781 2.698879 8.154511 0.114969 1.255757 0.91843142E+01 0.92547024E+02 1.864635 1.732140 -0.987297 2.406400 0.997787 3.478211 9.597137 0.496181 1.225040 -0.722781 -0.037375 0.012515 0.017978 0.043321 -0.012510 -0.011557 -0.008226 0.020144 -0.001910 -0.023014 0.003617 0.019397 1.907929 2.097472 -0.331579 -0.360005 1.665042 0.016150 1.961272 -0.000000 27 H 13.228219 2.698879 10.394489 0.114970 1.255773 0.91844294E+01 0.92548316E+02 1.864640 1.732142 -0.987365 2.406369 0.997786 3.478194 9.597043 0.496185 1.225028 -0.722784 0.037376 0.012515 -0.017977 0.043322 0.012512 -0.011556 0.008227 0.020146 -0.001911 -0.023016 0.003618 0.019397 1.907935 2.097478 0.331578 -0.360010 1.665047 -0.016146 1.961280 -0.000000 28 H 5.320781 15.850121 10.394489 0.114970 1.255780 0.91845228E+01 0.92549544E+02 1.864656 1.732158 -0.987246 2.406428 0.997787 3.478180 9.597037 0.496179 1.225038 -0.722782 -0.037376 -0.012516 -0.017976 0.043321 0.012513 0.011554 -0.008228 0.020144 -0.001911 -0.023016 0.003620 0.019396 1.907947 2.097500 0.331574 0.360028 1.665052 0.016163 1.961289 -0.000000 29 H 15.850121 10.394489 5.320781 0.114967 1.255787 0.91845864E+01 0.92550305E+02 1.864658 1.732160 -0.987255 2.406423 0.997787 3.478196 9.597074 0.496181 1.225033 -0.722783 -0.012516 -0.017976 -0.037375 0.043321 -0.008228 0.012513 0.011554 -0.009117 0.031171 -0.023016 0.003620 0.019396 1.907949 1.665054 0.016163 0.331573 1.961292 0.360028 2.097502 0.000001 30 H 2.698879 10.394489 13.228219 0.114968 1.255789 0.91845784E+01 0.92550284E+02 1.864664 1.732162 -0.987373 2.406365 0.997786 3.478221 9.597173 0.496179 1.225037 -0.722782 0.012515 -0.017977 0.037376 0.043322 0.008227 0.012512 -0.011556 -0.009118 0.031174 -0.023016 0.003619 0.019397 1.907960 1.665068 -0.016145 0.331585 1.961307 -0.360016 2.097505 0.000001 31 H 2.698879 8.154511 5.320781 0.114965 1.255763 0.91843715E+01 0.92547691E+02 1.864637 1.732141 -0.987305 2.406394 0.997787 3.478225 9.597162 0.496183 1.225034 -0.722782 0.012514 0.017978 -0.037374 0.043320 -0.008226 -0.012510 -0.011557 -0.009117 0.031171 -0.023014 0.003617 0.019397 1.907930 1.665043 0.016149 -0.331578 1.961274 -0.360005 2.097473 0.000001 32 H 15.850121 8.154511 13.228219 0.114970 1.255789 0.91845864E+01 0.92550353E+02 1.864668 1.732168 -0.987194 2.406455 0.997788 3.478160 9.596993 0.496176 1.225044 -0.722781 -0.012518 0.017974 0.037377 0.043322 0.008231 -0.012518 0.011552 -0.009114 0.031172 -0.023020 0.003625 0.019396 1.907961 1.665064 -0.016156 -0.331570 1.961309 0.360033 2.097511 0.000001 33 H 10.394489 13.228219 2.698879 0.114970 1.255775 0.91844434E+01 0.92548455E+02 1.864637 1.732140 -0.987370 2.406366 0.997786 3.478200 9.597047 0.496187 1.225023 -0.722785 -0.017977 0.037376 0.012516 0.043322 -0.011556 0.008227 0.012512 -0.011029 -0.029264 -0.023016 0.003618 0.019397 1.907932 1.961277 -0.360008 -0.016145 2.097474 0.331577 1.665045 -0.000001 34 H 10.394489 5.320781 15.850121 0.114971 1.255783 0.91845498E+01 0.92549885E+02 1.864657 1.732160 -0.987250 2.406426 0.997787 3.478187 9.597060 0.496179 1.225037 -0.722782 -0.017976 -0.037376 -0.012516 0.043321 0.011554 -0.008228 0.012513 -0.011027 -0.029261 -0.023016 0.003620 0.019396 1.907949 1.961291 0.360028 0.016163 2.097501 0.331574 1.665054 -0.000001 35 H 8.154511 13.228219 15.850121 0.114972 1.255775 0.91844527E+01 0.92548567E+02 1.864645 1.732148 -0.987190 2.406457 0.997788 3.478138 9.596875 0.496183 1.225034 -0.722783 0.017973 0.037377 -0.012518 0.043322 0.011552 0.008231 -0.012518 -0.011029 -0.029256 -0.023020 0.003624 0.019396 1.907937 1.961283 0.360026 -0.016156 2.097483 -0.331563 1.665044 -0.000001 36 H 8.154511 5.320781 2.698879 0.114969 1.255757 0.91843227E+01 0.92547127E+02 1.864636 1.732140 -0.987298 2.406399 0.997787 3.478214 9.597145 0.496181 1.225040 -0.722781 0.017978 -0.037375 0.012515 0.043321 -0.011557 -0.008226 -0.012510 -0.011027 -0.029261 -0.023014 0.003617 0.019397 1.907929 1.961272 -0.360005 0.016149 2.097472 -0.331579 1.665042 -0.000001 37 H 2.698879 5.320781 8.154511 0.114965 1.255774 0.91844786E+01 0.92549130E+02 1.864656 1.732157 -0.987310 2.406392 0.997787 3.478242 9.597258 0.496177 1.225043 -0.722780 0.012515 -0.037374 0.017978 0.043320 -0.012511 -0.008226 -0.011557 -0.020144 -0.001909 -0.023014 0.003618 0.019397 1.907950 1.665059 -0.331583 0.016149 2.097495 -0.360010 1.961295 0.000000 38 H 15.850121 13.228219 8.154511 0.114969 1.255792 0.91846109E+01 0.92550618E+02 1.864667 1.732167 -0.987201 2.406451 0.997788 3.478166 9.596996 0.496178 1.225039 -0.722782 -0.012518 0.037377 0.017973 0.043322 -0.012518 0.008231 0.011552 -0.020143 -0.001915 -0.023020 0.003625 0.019396 1.907959 1.665062 -0.331568 -0.016156 2.097508 0.360032 1.961308 0.000000 39 H 15.850121 5.320781 10.394489 0.114970 1.255788 0.91846011E+01 0.92550575E+02 1.864667 1.732168 -0.987255 2.406424 0.997787 3.478195 9.597106 0.496177 1.225042 -0.722781 -0.012516 -0.037375 -0.017976 0.043321 0.012513 -0.008228 0.011554 -0.020144 -0.001910 -0.023016 0.003620 0.019396 1.907959 1.665061 0.331576 0.016163 2.097512 0.360031 1.961302 0.000000 40 H 2.698879 13.228219 10.394489 0.114969 1.255783 0.91845258E+01 0.92549600E+02 1.864656 1.732156 -0.987374 2.406365 0.997786 3.478211 9.597130 0.496181 1.225035 -0.722782 0.012515 0.037376 -0.017977 0.043322 0.012512 0.008227 -0.011556 -0.020146 -0.001910 -0.023016 0.003619 0.019397 1.907952 1.665061 0.331581 -0.016145 2.097496 -0.360014 1.961299 -0.000000 41 H 8.154511 2.698879 5.320781 0.114968 1.255755 0.91843005E+01 0.92546777E+02 1.864627 1.732133 -0.987304 2.406396 0.997787 3.478212 9.597109 0.496185 1.225032 -0.722783 0.017978 0.012515 -0.037375 0.043321 -0.008226 -0.011557 -0.012510 0.009117 0.031172 -0.023014 0.003617 0.019397 1.907920 1.961263 0.016149 -0.360002 1.665034 -0.331575 2.097461 -0.000001 42 H 8.154511 15.850121 13.228219 0.114971 1.255775 0.91844522E+01 0.92548532E+02 1.864642 1.732146 -0.987194 2.406455 0.997788 3.478138 9.596864 0.496184 1.225031 -0.722784 0.017974 -0.012518 0.037377 0.043322 0.008231 0.011552 -0.012517 0.009114 0.031172 -0.023020 0.003624 0.019396 1.907934 1.961281 -0.016156 0.360026 1.665042 -0.331561 2.097480 -0.000001 43 H 10.394489 15.850121 5.320781 0.114970 1.255778 0.91845042E+01 0.92549222E+02 1.864645 1.732149 -0.987255 2.406423 0.997787 3.478181 9.597003 0.496184 1.225028 -0.722784 -0.017976 -0.012516 -0.037376 0.043321 -0.008228 0.011554 0.012513 0.009117 0.031172 -0.023016 0.003620 0.019396 1.907935 1.961277 0.016163 0.360024 1.665043 0.331569 2.097486 -0.000001 44 H 10.394489 2.698879 13.228219 0.114968 1.255779 0.91844811E+01 0.92548961E+02 1.864645 1.732146 -0.987373 2.406365 0.997786 3.478205 9.597078 0.496185 1.225027 -0.722784 -0.017977 0.012516 0.037376 0.043322 0.008227 -0.011556 0.012512 0.009118 0.031175 -0.023016 0.003618 0.019397 1.907940 1.961286 -0.016145 -0.360011 1.665051 0.331578 2.097483 -0.000001 45 H 5.320781 8.154511 2.698879 0.114971 1.255749 0.91842403E+01 0.92546035E+02 1.864622 1.732128 -0.987298 2.406399 0.997787 3.478199 9.597072 0.496185 1.225034 -0.722782 -0.037375 0.017978 0.012515 0.043321 -0.011557 -0.012510 -0.008226 0.011027 -0.029262 -0.023014 0.003617 0.019397 1.907914 2.097455 -0.360001 -0.331574 1.961258 0.016149 1.665030 0.000001 46 H 13.228219 8.154511 15.850121 0.114973 1.255774 0.91844504E+01 0.92548561E+02 1.864646 1.732149 -0.987191 2.406457 0.997788 3.478137 9.596881 0.496182 1.225036 -0.722783 0.037378 0.017973 -0.012518 0.043322 0.011552 -0.012518 0.008231 0.011029 -0.029256 -0.023020 0.003624 0.019396 1.907938 2.097485 0.360027 -0.331563 1.961285 -0.016156 1.665045 0.000000 47 H 5.320781 10.394489 15.850121 0.114971 1.255785 0.91845694E+01 0.92550165E+02 1.864662 1.732164 -0.987252 2.406425 0.997787 3.478190 9.597084 0.496178 1.225041 -0.722781 -0.037376 -0.017976 -0.012516 0.043321 0.011554 0.012513 -0.008228 0.011027 -0.029261 -0.023016 0.003620 0.019396 1.907954 2.097507 0.360030 0.331575 1.961297 0.016163 1.665058 0.000000 48 H 13.228219 10.394489 2.698879 0.114971 1.255769 0.91843940E+01 0.92547819E+02 1.864631 1.732135 -0.987369 2.406367 0.997786 3.478189 9.597005 0.496188 1.225022 -0.722785 0.037376 -0.017977 0.012516 0.043322 -0.011556 0.012512 0.008227 0.011029 -0.029265 -0.023016 0.003618 0.019398 1.907926 2.097467 -0.360007 0.331574 1.961271 -0.016145 1.665040 0.000001 49 H 5.320781 2.698879 10.394489 0.114969 1.255761 0.91843578E+01 0.92547579E+02 1.864641 1.732144 -0.987305 2.406396 0.997787 3.478216 9.597159 0.496180 1.225041 -0.722781 -0.037375 0.012515 -0.017978 0.043321 -0.012510 0.011557 0.008226 0.020144 -0.001910 -0.023014 0.003617 0.019397 1.907934 2.097478 -0.331580 0.360007 1.665045 -0.016151 1.961278 -0.000000 50 H 13.228219 15.850121 10.394489 0.114973 1.255776 0.91844663E+01 0.92548769E+02 1.864649 1.732152 -0.987194 2.406457 0.997788 3.478137 9.596886 0.496181 1.225037 -0.722783 0.037378 -0.012518 -0.017974 0.043323 -0.012517 -0.011552 -0.008231 0.020143 -0.001916 -0.023020 0.003624 0.019396 1.907941 2.097489 -0.331564 -0.360028 1.665047 0.016158 1.961287 -0.000000 51 H 5.320781 15.850121 8.154511 0.114970 1.255780 0.91845251E+01 0.92549571E+02 1.864655 1.732158 -0.987248 2.406427 0.997787 3.478183 9.597045 0.496180 1.225038 -0.722782 -0.037376 -0.012516 0.017976 0.043321 0.012513 -0.011554 0.008228 0.020144 -0.001911 -0.023016 0.003620 0.019396 1.907947 2.097498 0.331572 -0.360028 1.665052 -0.016161 1.961290 -0.000000 52 H 13.228219 2.698879 8.154511 0.114969 1.255773 0.91844263E+01 0.92548276E+02 1.864640 1.732142 -0.987365 2.406369 0.997786 3.478196 9.597048 0.496185 1.225028 -0.722784 0.037376 0.012516 0.017977 0.043322 0.012512 0.011556 -0.008227 0.020146 -0.001911 -0.023016 0.003619 0.019397 1.907935 2.097476 0.331577 0.360008 1.665047 0.016144 1.961281 -0.000000 53 H 2.698879 8.154511 13.228219 0.114967 1.255787 0.91845655E+01 0.92550122E+02 1.864663 1.732161 -0.987371 2.406365 0.997786 3.478220 9.597169 0.496179 1.225037 -0.722782 0.012516 0.017977 0.037376 0.043322 -0.008227 0.012513 0.011555 -0.009118 0.031175 -0.023016 0.003619 0.019397 1.907959 1.665067 0.016144 0.331583 1.961307 0.360015 2.097503 0.000001 54 H 15.850121 8.154511 5.320781 0.114966 1.255786 0.91845770E+01 0.92550180E+02 1.864657 1.732159 -0.987255 2.406423 0.997787 3.478196 9.597070 0.496181 1.225033 -0.722783 -0.012516 0.017976 -0.037375 0.043321 0.008228 0.012513 -0.011554 -0.009117 0.031171 -0.023016 0.003620 0.019396 1.907948 1.665053 -0.016161 0.331571 1.961292 -0.360028 2.097499 0.000001 55 H 15.850121 10.394489 13.228219 0.114971 1.255790 0.91846006E+01 0.92550543E+02 1.864670 1.732170 -0.987201 2.406453 0.997788 3.478161 9.597002 0.496175 1.225045 -0.722781 -0.012518 -0.017974 0.037377 0.043322 -0.008231 -0.012518 -0.011552 -0.009114 0.031172 -0.023020 0.003624 0.019396 1.907963 1.665065 0.016157 -0.331570 1.961311 -0.360034 2.097514 0.000001 56 H 2.698879 10.394489 5.320781 0.114966 1.255768 0.91844222E+01 0.92548338E+02 1.864642 1.732146 -0.987315 2.406390 0.997787 3.478232 9.597191 0.496182 1.225035 -0.722782 0.012514 -0.017978 -0.037374 0.043320 0.008226 -0.012510 0.011557 -0.009117 0.031171 -0.023014 0.003617 0.019397 1.907935 1.665047 -0.016150 -0.331580 1.961280 0.360007 2.097479 0.000001 57 H 8.154511 5.320781 15.850121 0.114970 1.255781 0.91845328E+01 0.92549680E+02 1.864657 1.732159 -0.987248 2.406427 0.997787 3.478185 9.597056 0.496179 1.225039 -0.722782 0.017976 -0.037376 -0.012517 0.043321 -0.011554 0.008228 0.012513 -0.011027 -0.029261 -0.023016 0.003620 0.019396 1.907948 1.961292 -0.360028 -0.016161 2.097500 0.331572 1.665053 -0.000001 58 H 8.154511 13.228219 2.698879 0.114970 1.255772 0.91844228E+01 0.92548214E+02 1.864637 1.732139 -0.987367 2.406368 0.997786 3.478197 9.597043 0.496186 1.225025 -0.722784 0.017977 0.037376 0.012516 0.043322 0.011555 -0.008227 0.012512 -0.011029 -0.029265 -0.023016 0.003619 0.019397 1.907932 1.961278 0.360007 0.016143 2.097472 0.331576 1.665045 -0.000001 59 H 10.394489 5.320781 2.698879 0.114970 1.255763 0.91843803E+01 0.92547859E+02 1.864642 1.732145 -0.987310 2.406393 0.997787 3.478222 9.597177 0.496180 1.225040 -0.722781 -0.017978 -0.037375 0.012515 0.043321 0.011557 0.008226 -0.012510 -0.011027 -0.029262 -0.023014 0.003617 0.019397 1.907935 1.961279 0.360007 -0.016150 2.097479 -0.331580 1.665047 -0.000001 60 H 10.394489 13.228219 15.850121 0.114973 1.255777 0.91844774E+01 0.92548869E+02 1.864646 1.732149 -0.987198 2.406454 0.997788 3.478142 9.596886 0.496183 1.225032 -0.722784 -0.017974 0.037377 -0.012518 0.043322 -0.011552 -0.008231 -0.012517 -0.011029 -0.029257 -0.023020 0.003624 0.019396 1.907938 1.961284 -0.360027 0.016157 2.097484 -0.331563 1.665044 -0.000001 61 H 14.321868 14.321868 11.466435 0.115778 1.143641 0.84388136E+01 0.83519916E+02 1.766457 1.666270 -1.066640 2.367224 0.996725 3.524512 9.738743 0.501599 1.233788 -0.719200 0.011316 0.011316 -0.027249 0.031601 -0.005109 -0.009507 -0.009507 -0.000000 0.008586 -0.016082 0.003678 0.012404 1.816184 1.747787 -0.180292 -0.276987 1.747787 -0.276986 1.952979 -0.000000 62 H 4.226946 4.226946 11.466435 0.115724 1.144488 0.84468969E+01 0.83622960E+02 1.767648 1.667318 -1.068696 2.366354 0.996695 3.525608 9.744267 0.501311 1.234158 -0.719120 -0.011379 -0.011379 -0.027219 0.031620 -0.005140 0.009516 0.009517 -0.000000 0.008709 -0.016115 0.003688 0.012427 1.817439 1.749014 -0.180389 0.277327 1.749014 0.277327 1.954288 -0.000000 63 H 4.226946 14.321868 7.082565 0.115820 1.144009 0.84424651E+01 0.83568014E+02 1.767129 1.666861 -1.068364 2.366555 0.996706 3.524976 9.741834 0.501389 1.234129 -0.719125 -0.011371 0.011289 0.027195 0.031565 0.005119 -0.009510 0.009523 -0.000018 0.008685 -0.016101 0.003672 0.012430 1.816895 1.748537 0.180359 -0.277257 1.748427 0.277090 1.953720 -0.000000 64 H 14.321868 4.226946 7.082565 0.115820 1.144008 0.84424527E+01 0.83567838E+02 1.767125 1.666858 -1.068365 2.366555 0.996706 3.524974 9.741817 0.501390 1.234126 -0.719126 0.011290 -0.011371 0.027195 0.031565 0.005119 0.009523 -0.009510 0.000018 0.008685 -0.016101 0.003672 0.012430 1.816891 1.748425 0.180358 0.277090 1.748532 -0.277255 1.953716 0.000000 65 H 11.466435 14.321868 14.321868 0.115777 1.143644 0.84388353E+01 0.83520149E+02 1.766456 1.666269 -1.066644 2.367221 0.996725 3.524517 9.738744 0.501601 1.233783 -0.719201 -0.027249 0.011316 0.011316 0.031600 -0.009507 -0.009507 -0.005109 0.004293 -0.004293 -0.016082 0.003678 0.012404 1.816183 1.952978 -0.276986 -0.276986 1.747786 -0.180292 1.747786 -0.000001 66 H 11.466435 4.226946 4.226946 0.115722 1.144498 0.84469832E+01 0.83624008E+02 1.767655 1.667324 -1.068703 2.366350 0.996695 3.525627 9.744323 0.501311 1.234155 -0.719121 -0.027219 -0.011379 -0.011378 0.031620 0.009517 0.009517 -0.005140 0.004354 -0.004354 -0.016115 0.003688 0.012427 1.817446 1.954295 0.277328 0.277328 1.749022 -0.180391 1.749022 -0.000001 67 H 7.082565 4.226946 14.321868 0.115819 1.144010 0.84424782E+01 0.83568166E+02 1.767129 1.666861 -1.068364 2.366555 0.996706 3.524979 9.741840 0.501389 1.234128 -0.719126 0.027195 -0.011371 0.011289 0.031565 -0.009510 0.009523 0.005119 0.004352 -0.004315 -0.016102 0.003672 0.012430 1.816895 1.953721 -0.277257 0.277090 1.748537 0.180359 1.748428 -0.000001 68 H 7.082565 14.321868 4.226946 0.115819 1.144011 0.84424875E+01 0.83568236E+02 1.767126 1.666858 -1.068366 2.366553 0.996706 3.524981 9.741827 0.501392 1.234122 -0.719127 0.027195 0.011290 -0.011371 0.031565 0.009523 -0.009510 0.005119 0.004333 -0.004370 -0.016102 0.003672 0.012430 1.816892 1.953716 0.277090 -0.277256 1.748425 0.180358 1.748533 -0.000001 69 H 14.321868 11.466435 14.321868 0.115778 1.143645 0.84388582E+01 0.83520507E+02 1.766465 1.666277 -1.066641 2.367223 0.996725 3.524522 9.738794 0.501597 1.233792 -0.719199 0.011316 -0.027249 0.011316 0.031600 -0.009507 -0.005109 -0.009507 -0.004293 -0.004293 -0.016082 0.003678 0.012404 1.816193 1.747795 -0.276988 -0.180294 1.952988 -0.276988 1.747795 0.000000 70 H 4.226946 11.466435 4.226946 0.115723 1.144486 0.84468717E+01 0.83622565E+02 1.767637 1.667309 -1.068699 2.366352 0.996695 3.525604 9.744216 0.501315 1.234149 -0.719122 -0.011379 -0.027219 -0.011378 0.031620 0.009516 -0.005139 0.009516 -0.004354 -0.004354 -0.016115 0.003688 0.012427 1.817428 1.749004 0.277324 -0.180387 1.954276 0.277324 1.749004 0.000001 71 H 14.321868 7.082565 4.226946 0.115820 1.144003 0.84424050E+01 0.83567178E+02 1.767114 1.666848 -1.068364 2.366555 0.996706 3.524964 9.741752 0.501395 1.234118 -0.719128 0.011290 0.027195 -0.011370 0.031565 0.009523 0.005119 -0.009510 -0.004333 -0.004370 -0.016101 0.003671 0.012430 1.816879 1.748412 0.277087 0.180355 1.953703 -0.277253 1.748521 0.000001 72 H 4.226946 7.082565 14.321868 0.115819 1.144009 0.84424709E+01 0.83568108E+02 1.767132 1.666863 -1.068362 2.366556 0.996706 3.524978 9.741850 0.501388 1.234132 -0.719125 -0.011371 0.027195 0.011289 0.031565 -0.009510 0.005119 0.009523 -0.004352 -0.004315 -0.016101 0.003672 0.012430 1.816898 1.748539 -0.277258 0.180359 1.953723 0.277091 1.748431 0.000000 73 H 14.321868 14.321868 7.082565 0.115780 1.143631 0.84387127E+01 0.83518709E+02 1.766452 1.666263 -1.066640 2.367227 0.996725 3.524496 9.738702 0.501599 1.233793 -0.719199 0.011316 0.011316 0.027249 0.031601 -0.005109 0.009507 0.009507 0.000000 0.008586 -0.016082 0.003678 0.012404 1.816180 1.747782 -0.180291 0.276987 1.747782 0.276987 1.952976 0.000000 74 H 4.226946 4.226946 7.082565 0.115725 1.144469 0.84467223E+01 0.83620877E+02 1.767637 1.667308 -1.068677 2.366367 0.996696 3.525583 9.744207 0.501309 1.234169 -0.719118 -0.011380 -0.011379 0.027220 0.031621 -0.005139 -0.009516 -0.009516 0.000000 0.008708 -0.016114 0.003688 0.012427 1.817428 1.749005 -0.180389 -0.277324 1.749005 -0.277323 1.954274 -0.000000 75 H 14.321868 4.226946 11.466435 0.115818 1.144022 0.84425888E+01 0.83569468E+02 1.767134 1.666866 -1.068374 2.366548 0.996706 3.524994 9.741868 0.501391 1.234119 -0.719127 0.011289 -0.011370 -0.027195 0.031564 0.005120 -0.009523 0.009510 0.000018 0.008686 -0.016102 0.003672 0.012430 1.816899 1.748432 0.180359 -0.277092 1.748539 0.277257 1.953725 -0.000000 76 H 4.226946 14.321868 11.466435 0.115818 1.144023 0.84426037E+01 0.83569667E+02 1.767137 1.666869 -1.068374 2.366548 0.996706 3.524997 9.741885 0.501390 1.234121 -0.719127 -0.011370 0.011289 -0.027195 0.031564 0.005120 0.009510 -0.009523 -0.000018 0.008686 -0.016102 0.003672 0.012430 1.816902 1.748542 0.180359 0.277258 1.748435 -0.277093 1.953728 -0.000000 77 H 14.321868 11.466435 4.226946 0.115818 1.144020 0.84425744E+01 0.83569238E+02 1.767127 1.666861 -1.068377 2.366546 0.996706 3.524992 9.741838 0.501394 1.234113 -0.719129 0.011289 -0.027195 -0.011370 0.031564 -0.009523 0.005119 0.009510 -0.004334 -0.004370 -0.016102 0.003672 0.012430 1.816892 1.748426 -0.277091 0.180357 1.953717 0.277255 1.748532 0.000001 78 H 4.226946 11.466435 14.321868 0.115817 1.144027 0.84426397E+01 0.83570153E+02 1.767144 1.666876 -1.068375 2.366547 0.996706 3.525006 9.741933 0.501388 1.234126 -0.719126 -0.011370 -0.027195 0.011289 0.031564 0.009510 0.005120 -0.009523 -0.004352 -0.004316 -0.016102 0.003672 0.012430 1.816910 1.748550 0.277260 0.180361 1.953736 -0.277094 1.748443 0.000000 79 H 4.226946 7.082565 4.226946 0.115725 1.144464 0.84466630E+01 0.83620043E+02 1.767621 1.667294 -1.068677 2.366367 0.996696 3.525571 9.744121 0.501315 1.234157 -0.719121 -0.011380 0.027220 -0.011379 0.031621 -0.009516 -0.005139 -0.009516 -0.004354 -0.004354 -0.016114 0.003687 0.012427 1.817412 1.748989 -0.277320 -0.180386 1.954256 -0.277319 1.748989 0.000001 80 H 14.321868 7.082565 14.321868 0.115780 1.143633 0.84387282E+01 0.83518922E+02 1.766456 1.666266 -1.066637 2.367228 0.996725 3.524499 9.738722 0.501597 1.233795 -0.719199 0.011316 0.027249 0.011316 0.031601 0.009507 -0.005109 0.009507 -0.004293 -0.004293 -0.016082 0.003678 0.012404 1.816184 1.747786 0.276988 -0.180291 1.952980 0.276987 1.747786 0.000000 81 H 11.466435 14.321868 4.226946 0.115816 1.144029 0.84426547E+01 0.83570248E+02 1.767137 1.666870 -1.068381 2.366543 0.996706 3.525009 9.741904 0.501393 1.234115 -0.719128 -0.027195 0.011289 -0.011370 0.031564 -0.009523 0.009510 0.005120 0.004334 -0.004370 -0.016102 0.003672 0.012430 1.816903 1.953729 -0.277093 0.277258 1.748436 0.180359 1.748543 -0.000001 82 H 11.466435 4.226946 14.321868 0.115817 1.144028 0.84426482E+01 0.83570215E+02 1.767141 1.666873 -1.068378 2.366545 0.996706 3.525007 9.741918 0.501390 1.234120 -0.719127 -0.027195 -0.011370 0.011289 0.031564 0.009510 -0.009523 0.005120 0.004352 -0.004316 -0.016102 0.003672 0.012430 1.816906 1.953733 0.277259 -0.277094 1.748547 0.180360 1.748440 -0.000001 83 H 7.082565 14.321868 14.321868 0.115780 1.143631 0.84387065E+01 0.83518597E+02 1.766448 1.666260 -1.066639 2.367227 0.996725 3.524494 9.738680 0.501601 1.233789 -0.719200 0.027249 0.011316 0.011316 0.031601 0.009507 0.009507 -0.005109 0.004293 -0.004293 -0.016082 0.003678 0.012404 1.816176 1.952972 0.276986 0.276986 1.747778 -0.180290 1.747778 -0.000001 84 H 7.082565 4.226946 4.226946 0.115724 1.144475 0.84467750E+01 0.83621511E+02 1.767641 1.667311 -1.068679 2.366364 0.996695 3.525594 9.744237 0.501309 1.234166 -0.719119 0.027220 -0.011379 -0.011379 0.031621 -0.009516 -0.009516 -0.005139 0.004354 -0.004354 -0.016115 0.003688 0.012427 1.817432 1.954278 -0.277324 -0.277324 1.749009 -0.180390 1.749009 -0.000001 85 C 16.057684 12.442669 10.886594 -0.085942 34.125880 0.40722070E+03 0.94637512E+04 9.251825 6.791534 0.108700 2.007606 0.999636 29.304334 85.083337 0.620491 0.424754 -1.053872 0.018041 -0.030728 -0.023167 0.042502 -0.020524 0.001723 0.000804 -0.044449 -0.031482 -0.025249 -0.010250 0.035499 11.673151 12.984917 -4.890865 -4.838953 10.286585 -0.252290 11.747949 0.000001 86 C 2.491316 6.106331 10.886594 -0.085946 34.126223 0.40722549E+03 0.94638894E+04 9.251866 6.791561 0.108623 2.007577 0.999636 29.304525 85.083981 0.620492 0.424752 -1.053873 -0.018045 0.030733 -0.023171 0.042509 -0.020504 -0.001729 -0.000802 -0.044434 -0.031451 -0.025236 -0.010238 0.035475 11.673202 12.984980 -4.890962 4.838976 10.286638 0.252226 11.747987 0.000001 87 C 2.491316 12.442669 7.662406 -0.085949 34.126243 0.40722396E+03 0.94638407E+04 9.251850 6.791533 0.108606 2.007570 0.999636 29.304519 85.083784 0.620495 0.424750 -1.053875 -0.018044 -0.030730 0.023168 0.042505 0.020510 0.001727 -0.000803 -0.044442 -0.031463 -0.025241 -0.010243 0.035484 11.673215 12.985020 4.890985 -4.839012 10.286660 0.252198 11.747966 0.000001 88 C 16.057684 6.106331 7.662406 -0.085947 34.125851 0.40722079E+03 0.94637476E+04 9.251780 6.791505 0.108651 2.007587 0.999636 29.304397 85.083311 0.620497 0.424750 -1.053875 0.018043 0.030730 0.023167 0.042504 0.020517 -0.001725 0.000803 -0.044444 -0.031468 -0.025245 -0.010245 0.035490 11.673100 12.984901 4.890869 4.838933 10.286529 -0.252272 11.747870 0.000001 89 C 10.886594 16.057684 12.442669 -0.085943 34.125854 0.40722046E+03 0.94637418E+04 9.251814 6.791529 0.108706 2.007607 0.999636 29.304320 85.083207 0.620492 0.424753 -1.053873 -0.023167 0.018041 -0.030728 0.042501 0.001723 0.000804 -0.020524 0.006482 0.082416 -0.025249 -0.010251 0.035500 11.673137 11.747927 -4.838952 -0.252277 12.984913 -4.890863 10.286571 -0.000002 90 C 10.886594 2.491316 6.106331 -0.085947 34.126210 0.40722542E+03 0.94638845E+04 9.251857 6.791558 0.108628 2.007578 0.999636 29.304517 85.083866 0.620492 0.424752 -1.053874 -0.023171 -0.018044 0.030733 0.042509 -0.001729 -0.000803 -0.020505 0.006490 0.082378 -0.025236 -0.010239 0.035476 11.673194 11.747970 4.838982 0.252209 12.984986 -4.890964 10.286625 -0.000001 91 C 7.662406 2.491316 12.442669 -0.085945 34.126028 0.40722120E+03 0.94637579E+04 9.251811 6.791511 0.108609 2.007573 0.999636 29.304379 85.083214 0.620496 0.424750 -1.053875 0.023169 -0.018044 -0.030730 0.042506 0.001728 -0.000804 0.020509 0.006488 0.082394 -0.025240 -0.010243 0.035483 11.673160 11.747910 -4.838988 0.252194 12.984958 4.890958 10.286612 -0.000002 92 C 7.662406 16.057684 6.106331 -0.085942 34.125636 0.40721808E+03 0.94636651E+04 9.251738 6.791482 0.108654 2.007590 0.999636 29.304257 85.082702 0.620498 0.424750 -1.053876 0.023167 0.018042 0.030730 0.042504 -0.001725 0.000804 0.020516 0.006486 0.082400 -0.025244 -0.010246 0.035489 11.673042 11.747814 4.838915 -0.252262 12.984842 4.890839 10.286472 -0.000001 93 C 12.442669 10.886594 16.057684 -0.085942 34.125853 0.40722039E+03 0.94637405E+04 9.251815 6.791528 0.108708 2.007608 0.999636 29.304321 85.083235 0.620492 0.424753 -1.053873 -0.030727 -0.023166 0.018042 0.042501 0.000805 -0.020525 0.001723 0.037967 -0.050930 -0.025249 -0.010252 0.035500 11.673139 10.286578 -0.252280 -4.890868 11.747925 -4.838949 12.984915 -0.000000 94 C 6.106331 10.886594 2.491316 -0.085946 34.126198 0.40722531E+03 0.94638815E+04 9.251856 6.791558 0.108631 2.007579 0.999636 29.304506 85.083838 0.620492 0.424752 -1.053874 0.030733 -0.023171 -0.018044 0.042509 -0.000803 -0.020505 -0.001729 0.037945 -0.050924 -0.025237 -0.010240 0.035476 11.673193 10.286622 0.252208 -4.890961 11.747971 4.838983 12.984984 0.000001 95 C 12.442669 7.662406 2.491316 -0.085943 34.125997 0.40722088E+03 0.94637476E+04 9.251806 6.791510 0.108611 2.007574 0.999636 29.304351 85.083094 0.620496 0.424750 -1.053875 -0.030730 0.023169 -0.018043 0.042505 -0.000805 0.020510 0.001728 0.037954 -0.050928 -0.025240 -0.010244 0.035484 11.673154 10.286597 0.252187 4.890950 11.747910 -4.838996 12.984957 0.000000 96 C 6.106331 7.662406 16.057684 -0.085941 34.125640 0.40721806E+03 0.94636666E+04 9.251745 6.791484 0.108654 2.007590 0.999636 29.304257 85.082778 0.620498 0.424750 -1.053875 0.030730 0.023167 0.018043 0.042504 0.000804 0.020516 -0.001725 0.037957 -0.050929 -0.025244 -0.010246 0.035490 11.673050 10.286488 -0.252272 4.890846 11.747819 4.838908 12.984843 -0.000000 97 C 12.442669 16.057684 7.662406 -0.085944 34.125946 0.40722102E+03 0.94637591E+04 9.251833 6.791534 0.108710 2.007609 0.999636 29.304348 85.083339 0.620491 0.424753 -1.053873 -0.030727 0.018041 0.023166 0.042501 -0.020525 -0.000804 -0.001723 0.044449 -0.031487 -0.025249 -0.010252 0.035501 11.673183 10.286582 -4.890878 0.252260 12.984989 4.839012 11.747976 -0.000000 98 C 6.106331 2.491316 7.662406 -0.085947 34.126197 0.40722479E+03 0.94638668E+04 9.251856 6.791552 0.108638 2.007582 0.999636 29.304489 85.083789 0.620493 0.424752 -1.053874 0.030732 -0.018044 0.023170 0.042508 -0.020506 0.000803 0.001729 0.044434 -0.031458 -0.025236 -0.010241 0.035477 11.673211 10.286629 -4.890976 -0.252194 12.985027 -4.839012 11.747977 -0.000001 99 C 12.442669 2.491316 10.886594 -0.085943 34.125934 0.40722028E+03 0.94637299E+04 9.251790 6.791501 0.108606 2.007572 0.999636 29.304340 85.083035 0.620497 0.424750 -1.053876 -0.030730 -0.018044 -0.023169 0.042506 0.020508 0.000804 -0.001728 0.044441 -0.031462 -0.025240 -0.010242 0.035482 11.673114 10.286587 4.890928 -0.252219 12.984878 4.838940 11.747876 -0.000001 100 C 6.106331 16.057684 10.886594 -0.085940 34.125471 0.40721655E+03 0.94636210E+04 9.251709 6.791468 0.108653 2.007590 0.999636 29.304198 85.082509 0.620499 0.424750 -1.053876 0.030730 0.018043 -0.023167 0.042504 0.020515 -0.000804 0.001725 0.044443 -0.031468 -0.025243 -0.010245 0.035488 11.672978 10.286457 4.890819 0.252291 12.984736 -4.838833 11.747741 -0.000001 101 C 16.057684 10.886594 6.106331 -0.085943 34.125646 0.40721880E+03 0.94636894E+04 9.251750 6.791495 0.108641 2.007586 0.999636 29.304289 85.082928 0.620496 0.424751 -1.053875 0.018044 -0.023168 0.030729 0.042504 0.001725 0.020514 -0.000803 -0.006489 0.082394 -0.025243 -0.010244 0.035487 11.673035 12.984802 -4.838867 4.890843 11.747804 0.252289 10.286500 0.000003 102 C 2.491316 10.886594 12.442669 -0.085945 34.126093 0.40722225E+03 0.94637903E+04 9.251824 6.791520 0.108600 2.007570 0.999636 29.304437 85.083482 0.620496 0.424750 -1.053875 -0.018044 -0.023169 -0.030731 0.042506 -0.001727 0.020509 0.000804 -0.006491 0.082392 -0.025241 -0.010242 0.035482 11.673161 12.984927 4.838953 4.890955 11.747920 -0.252227 10.286635 0.000002 103 C 2.491316 7.662406 6.106331 -0.085950 34.126308 0.40722623E+03 0.94639104E+04 9.251882 6.791569 0.108628 2.007578 0.999636 29.304549 85.084061 0.620491 0.424752 -1.053873 -0.018046 0.023171 0.030731 0.042508 0.001729 -0.020505 0.000802 -0.006490 0.082377 -0.025236 -0.010240 0.035475 11.673245 12.985062 -4.839031 -4.890987 11.748019 -0.252197 10.286654 0.000003 104 C 16.057684 7.662406 12.442669 -0.085946 34.126039 0.40722216E+03 0.94637948E+04 9.251854 6.791545 0.108708 2.007607 0.999636 29.304409 85.083632 0.620491 0.424754 -1.053872 0.018041 0.023166 -0.030728 0.042501 -0.001723 -0.020526 -0.000804 -0.006482 0.082418 -0.025249 -0.010252 0.035501 11.673208 12.985008 4.839014 -4.890889 11.748004 0.252273 10.286612 0.000002 105 C 10.886594 12.442669 2.491316 -0.085945 34.126086 0.40722225E+03 0.94637888E+04 9.251822 6.791522 0.108600 2.007570 0.999636 29.304421 85.083376 0.620495 0.424751 -1.053875 -0.023169 -0.030731 -0.018043 0.042506 0.000804 -0.001728 0.020509 -0.037951 -0.050931 -0.025240 -0.010242 0.035483 11.673164 11.747924 -0.252205 4.838974 10.286621 4.890957 12.984947 -0.000001 106 C 10.886594 6.106331 16.057684 -0.085941 34.125601 0.40721825E+03 0.94636721E+04 9.251736 6.791485 0.108649 2.007588 0.999636 29.304270 85.082818 0.620498 0.424750 -1.053875 -0.023167 0.030730 0.018043 0.042504 -0.000804 0.001725 0.020516 -0.037955 -0.050930 -0.025244 -0.010245 0.035489 11.673018 11.747785 0.252287 -4.838858 10.286486 4.890837 12.984785 -0.000002 107 C 7.662406 12.442669 16.057684 -0.085944 34.125978 0.40722145E+03 0.94637723E+04 9.251842 6.791540 0.108708 2.007608 0.999636 29.304363 85.083422 0.620491 0.424754 -1.053872 0.023166 -0.030727 0.018041 0.042501 -0.000805 -0.001723 -0.020525 -0.037968 -0.050930 -0.025249 -0.010252 0.035501 11.673196 11.747997 0.252260 4.839023 10.286588 -4.890878 12.985002 -0.000002 108 C 7.662406 6.106331 2.491316 -0.085947 34.126239 0.40722531E+03 0.94638835E+04 9.251871 6.791561 0.108635 2.007581 0.999636 29.304505 85.083903 0.620491 0.424752 -1.053873 0.023171 0.030733 -0.018044 0.042508 0.000804 0.001729 -0.020506 -0.037946 -0.050922 -0.025237 -0.010241 0.035478 11.673234 11.748000 -0.252189 -4.839026 10.286644 -4.890989 12.985057 -0.000001 109 C 2.491316 6.106331 7.662406 -0.085955 34.126598 0.40723051E+03 0.94640348E+04 9.251931 6.791603 0.108633 2.007577 0.999636 29.304705 85.084625 0.620490 0.424752 -1.053873 -0.018044 0.030733 0.023169 0.042508 -0.020507 0.001729 0.000802 -0.044436 -0.031455 -0.025239 -0.010240 0.035478 11.673304 12.985117 -4.891033 -4.839030 10.286737 -0.252208 11.748059 0.000001 110 C 16.057684 12.442669 7.662406 -0.085952 34.126325 0.40722648E+03 0.94639188E+04 9.251902 6.791581 0.108708 2.007605 0.999636 29.304553 85.084116 0.620489 0.424754 -1.053872 0.018041 -0.030727 0.023165 0.042500 -0.020527 -0.001723 -0.000803 -0.044451 -0.031485 -0.025251 -0.010251 0.035502 11.673267 12.985067 -4.890929 4.839025 10.286684 0.252275 11.748050 0.000001 111 C 16.057684 6.106331 10.886594 -0.085944 34.125774 0.40722099E+03 0.94637516E+04 9.251771 6.791513 0.108644 2.007586 0.999636 29.304339 85.083092 0.620496 0.424751 -1.053875 0.018042 0.030730 -0.023168 0.042504 0.020516 0.001725 -0.000804 -0.044444 -0.031464 -0.025245 -0.010244 0.035489 11.673053 12.984801 4.890862 -4.838844 10.286547 0.252308 11.747811 0.000001 112 C 2.491316 12.442669 10.886594 -0.085947 34.126223 0.40722452E+03 0.94638544E+04 9.251847 6.791542 0.108598 2.007568 0.999636 29.304478 85.083595 0.620494 0.424751 -1.053875 -0.018043 -0.030731 -0.023169 0.042506 0.020509 -0.001728 0.000804 -0.044443 -0.031458 -0.025241 -0.010241 0.035483 11.673183 12.984935 4.890970 4.838944 10.286675 -0.252237 11.747938 0.000001 113 C 7.662406 2.491316 6.106331 -0.085951 34.126389 0.40722784E+03 0.94639537E+04 9.251891 6.791580 0.108637 2.007580 0.999636 29.304568 85.084035 0.620491 0.424752 -1.053874 0.023170 -0.018043 0.030732 0.042508 0.001729 0.000803 -0.020506 0.006489 0.082382 -0.025238 -0.010241 0.035478 11.673249 11.748005 -4.839012 -0.252198 12.985060 -4.891005 10.286682 -0.000001 114 C 7.662406 16.057684 12.442669 -0.085948 34.126103 0.40722366E+03 0.94638336E+04 9.251859 6.791557 0.108711 2.007608 0.999636 29.304411 85.083512 0.620490 0.424754 -1.053873 0.023166 0.018040 -0.030727 0.042500 -0.001723 -0.000804 -0.020526 0.006482 0.082420 -0.025250 -0.010252 0.035502 11.673206 11.747989 4.838999 0.252270 12.985000 -4.890898 10.286629 -0.000002 115 C 10.886594 16.057684 6.106331 -0.085945 34.125761 0.40722093E+03 0.94637471E+04 9.251762 6.791509 0.108649 2.007587 0.999636 29.304331 85.082968 0.620496 0.424750 -1.053876 -0.023167 0.018042 0.030730 0.042503 0.001725 -0.000804 0.020517 0.006489 0.082400 -0.025245 -0.010245 0.035490 11.673045 11.747795 -4.838852 0.252289 12.984808 4.890862 10.286531 -0.000001 116 C 10.886594 2.491316 12.442669 -0.085948 34.126203 0.40722431E+03 0.94638466E+04 9.251840 6.791538 0.108604 2.007570 0.999636 29.304466 85.083493 0.620495 0.424750 -1.053875 -0.023169 -0.018043 -0.030730 0.042505 -0.001728 0.000804 0.020510 0.006491 0.082394 -0.025241 -0.010242 0.035483 11.673174 11.747918 4.838943 -0.252226 12.984936 4.890973 10.286667 -0.000001 117 C 6.106331 7.662406 2.491316 -0.085950 34.126371 0.40722769E+03 0.94639494E+04 9.251890 6.791581 0.108637 2.007581 0.999636 29.304550 85.083989 0.620491 0.424752 -1.053874 0.030732 0.023170 -0.018043 0.042507 0.000803 -0.020507 0.001729 0.037947 -0.050924 -0.025238 -0.010241 0.035479 11.673248 10.286679 -0.252198 -4.891001 11.748007 -4.839014 12.985058 0.000002 118 C 12.442669 7.662406 16.057684 -0.085947 34.126096 0.40722354E+03 0.94638307E+04 9.251860 6.791557 0.108712 2.007608 0.999636 29.304405 85.083521 0.620490 0.424754 -1.053873 -0.030727 0.023166 0.018041 0.042500 -0.000805 -0.020526 -0.001723 0.037969 -0.050931 -0.025250 -0.010252 0.035502 11.673208 10.286633 0.252272 -4.890900 11.747990 4.838998 12.985001 0.000001 119 C 6.106331 10.886594 16.057684 -0.085944 34.125769 0.40722095E+03 0.94637497E+04 9.251767 6.791510 0.108651 2.007588 0.999636 29.304338 85.083061 0.620496 0.424750 -1.053875 0.030730 -0.023167 0.018042 0.042503 -0.000804 0.020517 0.001725 0.037956 -0.050933 -0.025245 -0.010245 0.035490 11.673051 10.286548 0.252299 4.890870 11.747797 -4.838843 12.984808 0.000001 120 C 12.442669 10.886594 2.491316 -0.085947 34.126184 0.40722414E+03 0.94638406E+04 9.251835 6.791537 0.108606 2.007571 0.999636 29.304450 85.083411 0.620495 0.424750 -1.053875 -0.030730 -0.023169 -0.018042 0.042505 0.000804 0.020510 -0.001728 0.037952 -0.050932 -0.025241 -0.010243 0.035484 11.673169 10.286655 -0.252218 4.890968 11.747916 4.838950 12.984936 0.000002 121 C 6.106331 2.491316 10.886594 -0.085949 34.126280 0.40722683E+03 0.94639242E+04 9.251869 6.791570 0.108634 2.007579 0.999636 29.304532 85.083895 0.620492 0.424752 -1.053874 0.030733 -0.018044 -0.023170 0.042508 -0.020505 -0.000803 -0.001729 0.044435 -0.031454 -0.025237 -0.010239 0.035476 11.673196 10.286661 -4.890974 0.252230 12.984965 4.838951 11.747962 -0.000001 122 C 12.442669 16.057684 10.886594 -0.085945 34.125959 0.40722231E+03 0.94637943E+04 9.251833 6.791546 0.108709 2.007608 0.999636 29.304352 85.083309 0.620491 0.424754 -1.053873 -0.030727 0.018041 -0.023166 0.042500 -0.020525 0.000804 0.001723 0.044450 -0.031485 -0.025249 -0.010251 0.035500 11.673153 10.286615 -4.890882 -0.252292 12.984914 -4.838932 11.747931 -0.000001 123 C 6.106331 16.057684 7.662406 -0.085946 34.125813 0.40722084E+03 0.94637451E+04 9.251771 6.791506 0.108657 2.007589 0.999636 29.304334 85.082996 0.620497 0.424750 -1.053876 0.030729 0.018042 0.023167 0.042503 0.020517 0.000804 -0.001725 0.044444 -0.031470 -0.025245 -0.010246 0.035491 11.673077 10.286538 4.890871 -0.252280 12.984863 4.838898 11.747830 -0.000000 124 C 12.442669 2.491316 7.662406 -0.085949 34.126228 0.40722431E+03 0.94638474E+04 9.251847 6.791539 0.108610 2.007572 0.999636 29.304463 85.083510 0.620495 0.424751 -1.053875 -0.030730 -0.018043 0.023168 0.042505 0.020511 -0.000804 0.001727 0.044442 -0.031464 -0.025241 -0.010243 0.035485 11.673202 10.286672 4.890989 0.252203 12.984995 -4.838986 11.747938 -0.000000 125 C 2.491316 7.662406 12.442669 -0.085950 34.126320 0.40722543E+03 0.94638826E+04 9.251868 6.791550 0.108607 2.007570 0.999636 29.304525 85.083810 0.620494 0.424751 -1.053875 -0.018043 0.023168 -0.030730 0.042505 0.001727 0.020511 -0.000804 -0.006490 0.082396 -0.025242 -0.010243 0.035485 11.673227 12.985014 -4.838987 4.891003 11.747965 0.252216 10.286704 0.000001 126 C 16.057684 7.662406 6.106331 -0.085949 34.125925 0.40722230E+03 0.94637895E+04 9.251798 6.791524 0.108647 2.007586 0.999636 29.304392 85.083270 0.620495 0.424751 -1.053875 0.018043 0.023167 0.030729 0.042503 -0.001725 0.020516 0.000803 -0.006489 0.082398 -0.025244 -0.010245 0.035489 11.673112 12.984899 4.838919 4.890882 11.747874 -0.252282 10.286564 0.000003 127 C 16.057684 10.886594 12.442669 -0.085947 34.126115 0.40722425E+03 0.94638539E+04 9.251867 6.791565 0.108704 2.007605 0.999636 29.304446 85.083741 0.620489 0.424754 -1.053872 0.018040 -0.023166 -0.030728 0.042501 0.001723 -0.020526 0.000804 -0.006484 0.082418 -0.025250 -0.010251 0.035501 11.673199 12.984961 -4.838947 -4.890906 11.747976 -0.252300 10.286660 0.000001 128 C 2.491316 10.886594 6.106331 -0.085953 34.126447 0.40722899E+03 0.94639891E+04 9.251906 6.791594 0.108621 2.007575 0.999636 29.304621 85.084288 0.620490 0.424753 -1.053873 -0.018045 -0.023170 0.030732 0.042508 -0.001729 -0.020505 -0.000801 -0.006492 0.082377 -0.025237 -0.010238 0.035475 11.673248 12.985026 4.838981 -4.890996 11.748017 0.252227 10.286700 0.000003 129 C 7.662406 6.106331 16.057684 -0.085945 34.125843 0.40722121E+03 0.94637572E+04 9.251781 6.791512 0.108655 2.007589 0.999636 29.304346 85.083086 0.620496 0.424750 -1.053875 0.023167 0.030730 0.018042 0.042503 0.000804 -0.001725 0.020518 -0.037957 -0.050932 -0.025245 -0.010246 0.035491 11.673091 11.747850 -0.252282 4.838907 10.286547 4.890874 12.984876 -0.000000 130 C 7.662406 12.442669 2.491316 -0.085948 34.126274 0.40722490E+03 0.94638657E+04 9.251861 6.791549 0.108607 2.007571 0.999636 29.304482 85.083624 0.620494 0.424751 -1.053875 0.023169 -0.030730 -0.018042 0.042505 -0.000804 0.001728 0.020511 -0.037954 -0.050931 -0.025242 -0.010243 0.035485 11.673224 11.747961 0.252196 -4.839002 10.286686 4.891001 12.985025 0.000000 131 C 10.886594 6.106331 2.491316 -0.085951 34.126423 0.40722870E+03 0.94639801E+04 9.251899 6.791589 0.108629 2.007577 0.999636 29.304609 85.084226 0.620490 0.424752 -1.053874 -0.023170 0.030733 -0.018043 0.042508 -0.000803 -0.001729 -0.020506 -0.037945 -0.050926 -0.025238 -0.010240 0.035478 11.673243 11.748005 0.252218 4.838981 10.286695 -4.891002 12.985029 0.000000 132 C 10.886594 12.442669 16.057684 -0.085947 34.126092 0.40722407E+03 0.94638466E+04 9.251860 6.791563 0.108704 2.007605 0.999636 29.304427 85.083609 0.620490 0.424754 -1.053872 -0.023166 -0.030727 0.018040 0.042500 0.000804 0.001723 -0.020526 -0.037967 -0.050933 -0.025250 -0.010251 0.035501 11.673192 11.747974 -0.252285 -4.838960 10.286640 -4.890898 12.984963 -0.000000 133 C 14.467107 12.789350 12.789350 0.128558 44.109066 0.38863032E+03 0.88588056E+04 10.944143 6.600992 -0.136994 1.964245 0.999248 26.222534 73.542709 0.639079 0.420449 -1.064672 -0.010703 -0.002055 -0.002055 0.011090 -0.009535 -0.009535 0.000274 0.019278 -0.019278 -0.013147 -0.006699 0.019846 16.874937 20.926981 -8.941765 -8.941780 14.848906 1.153646 14.848923 0.000000 134 C 15.492496 12.064270 12.064270 -0.016368 46.744691 0.40878552E+03 0.94240800E+04 11.294157 6.681499 -0.042082 1.980706 0.999433 27.377491 76.877821 0.648753 0.409528 -1.073144 -0.007749 -0.002091 -0.002091 0.008294 -0.017545 -0.017545 -0.006232 -0.006557 0.006558 -0.029022 0.008418 0.020604 17.997117 24.194743 -11.169096 -11.169137 14.898280 4.495001 14.898328 0.000001 135 C 4.081893 5.759650 12.789350 0.128462 44.113141 0.38867275E+03 0.88600189E+04 10.944774 6.601359 -0.137053 1.964204 0.999248 26.224159 73.548410 0.639060 0.420450 -1.064671 0.010696 0.002080 -0.002056 0.011089 -0.009518 0.009525 -0.000319 0.019346 -0.019309 -0.013102 -0.006765 0.019867 16.875865 20.927672 -8.942194 8.942085 14.850061 -1.153386 14.849860 0.000000 136 C 3.056504 6.484730 12.064270 -0.016357 46.745277 0.40879257E+03 0.94243039E+04 11.294243 6.681597 -0.042238 1.980651 0.999433 27.377838 76.879599 0.648741 0.409533 -1.073138 0.007758 0.002088 -0.002086 0.008300 -0.017540 0.017541 0.006217 -0.006539 0.006548 -0.029005 0.008397 0.020608 17.997118 24.194546 -11.169060 11.169129 14.898357 -4.495006 14.898452 0.000000 137 C 4.081893 12.789350 5.759650 0.128462 44.113151 0.38867272E+03 0.88600176E+04 10.944775 6.601358 -0.137058 1.964203 0.999248 26.224158 73.548392 0.639060 0.420449 -1.064671 0.010696 -0.002057 0.002080 0.011089 0.009524 -0.009517 -0.000319 0.019328 -0.019365 -0.013102 -0.006764 0.019866 16.875872 20.927690 8.942076 -8.942222 14.849842 -1.153396 14.850085 0.000001 138 C 3.056504 12.064270 6.484730 -0.016359 46.745397 0.40879359E+03 0.94243334E+04 11.294261 6.681604 -0.042243 1.980649 0.999433 27.377883 76.879758 0.648740 0.409533 -1.073138 0.007757 -0.002086 0.002087 0.008299 0.017541 -0.017540 0.006217 -0.006542 0.006535 -0.029005 0.008397 0.020608 17.997155 24.194602 11.169116 -11.169129 14.898429 -4.495024 14.898433 0.000001 139 C 14.467107 5.759650 5.759650 0.128533 44.111730 0.38864270E+03 0.88591664E+04 10.944604 6.601137 -0.137098 1.964209 0.999248 26.223006 73.544585 0.639066 0.420454 -1.064668 -0.010706 0.002058 0.002058 0.011095 0.009530 0.009530 0.000293 0.019308 -0.019309 -0.013129 -0.006729 0.019858 16.875756 20.927844 8.942175 8.942192 14.849701 1.153552 14.849721 0.000001 140 C 15.492496 6.484730 6.484730 -0.016366 46.745258 0.40878867E+03 0.94241808E+04 11.294247 6.681551 -0.042050 1.980716 0.999433 27.377615 76.878555 0.648746 0.409531 -1.073140 -0.007752 0.002089 0.002089 0.008296 0.017544 0.017544 -0.006226 -0.006550 0.006551 -0.029016 0.008409 0.020607 17.997276 24.194974 11.169210 11.169250 14.898404 4.495060 14.898451 0.000001 141 C 12.789350 14.467107 12.789350 0.128556 44.109088 0.38863068E+03 0.88588146E+04 10.944142 6.600992 -0.136993 1.964245 0.999248 26.222547 73.542721 0.639080 0.420448 -1.064672 -0.002054 -0.010703 -0.002054 0.011090 -0.009536 0.000274 -0.009536 -0.019278 -0.019277 -0.013147 -0.006699 0.019847 16.874934 14.848915 -8.941775 1.153646 20.926981 -8.941766 14.848905 -0.000000 142 C 12.064270 15.492496 12.064270 -0.016366 46.744559 0.40878437E+03 0.94240456E+04 11.294135 6.681488 -0.042083 1.980706 0.999433 27.377441 76.877616 0.648753 0.409528 -1.073144 -0.002090 -0.007749 -0.002091 0.008294 -0.017545 -0.006232 -0.017545 0.006557 0.006557 -0.029021 0.008418 0.020604 17.997081 14.898289 -11.169111 4.494998 24.194702 -11.169079 14.898252 -0.000001 143 C 12.789350 4.081893 5.759650 0.128459 44.113269 0.38867382E+03 0.88600498E+04 10.944794 6.601367 -0.137054 1.964203 0.999248 26.224205 73.548571 0.639060 0.420449 -1.064671 -0.002056 0.010697 0.002080 0.011089 0.009526 -0.000319 -0.009519 -0.019328 -0.019365 -0.013103 -0.006765 0.019868 16.875901 14.849889 8.942100 -1.153382 20.927717 -8.942216 14.850097 0.000000 144 C 12.064270 3.056504 6.484730 -0.016354 46.745201 0.40879170E+03 0.94242783E+04 11.294234 6.681590 -0.042242 1.980650 0.999433 27.377801 76.879468 0.648741 0.409533 -1.073138 -0.002086 0.007758 0.002088 0.008300 0.017540 0.006217 -0.017539 0.006543 0.006534 -0.029004 0.008397 0.020607 17.997109 14.898431 11.169123 -4.495014 24.194546 -11.169064 14.898350 -0.000000 145 C 5.759650 4.081893 12.789350 0.128460 44.113166 0.38867313E+03 0.88600290E+04 10.944775 6.601360 -0.137051 1.964204 0.999248 26.224174 73.548438 0.639060 0.420449 -1.064671 0.002080 0.010696 -0.002056 0.011089 -0.009518 -0.000319 0.009526 -0.019347 -0.019309 -0.013103 -0.006765 0.019868 16.875862 14.850075 -8.942203 -1.153380 20.927667 8.942068 14.849845 -0.000001 146 C 6.484730 3.056504 12.064270 -0.016354 46.745107 0.40879113E+03 0.94242606E+04 11.294215 6.681583 -0.042237 1.980652 0.999433 27.377775 76.879339 0.648741 0.409533 -1.073138 0.002087 0.007758 -0.002086 0.008301 -0.017539 0.006217 0.017540 0.006539 0.006547 -0.029004 0.008397 0.020607 17.997069 14.898357 -11.169065 -4.494998 24.194483 11.169062 14.898366 -0.000001 147 C 5.759650 14.467107 5.759650 0.128530 44.111821 0.38864363E+03 0.88591933E+04 10.944618 6.601144 -0.137093 1.964210 0.999248 26.223046 73.544730 0.639065 0.420454 -1.064668 0.002058 -0.010707 0.002058 0.011095 0.009532 0.000294 0.009532 -0.019309 -0.019308 -0.013130 -0.006730 0.019860 16.875773 14.849735 8.942186 1.153533 20.927853 8.942180 14.849730 -0.000000 148 C 6.484730 15.492496 6.484730 -0.016362 46.745024 0.40878655E+03 0.94241184E+04 11.294211 6.681534 -0.042048 1.980718 0.999433 27.377523 76.878204 0.648746 0.409531 -1.073140 0.002089 -0.007753 0.002089 0.008297 0.017543 -0.006226 0.017543 0.006551 0.006550 -0.029015 0.008410 0.020605 17.997213 14.898391 11.169204 4.495045 24.194891 11.169173 14.898356 -0.000000 149 C 12.789350 12.789350 14.467107 0.128557 44.109123 0.38863078E+03 0.88588187E+04 10.944152 6.600994 -0.136992 1.964245 0.999248 26.222554 73.542776 0.639079 0.420449 -1.064672 -0.002055 -0.002054 -0.010703 0.011090 0.000274 -0.009536 -0.009536 0.000000 0.038556 -0.013147 -0.006700 0.019847 16.874953 14.848927 1.153648 -8.941783 14.848928 -8.941782 20.927004 0.000000 150 C 12.064270 12.064270 15.492496 -0.016367 46.744707 0.40878546E+03 0.94240787E+04 11.294164 6.681500 -0.042088 1.980704 0.999433 27.377487 76.877827 0.648752 0.409528 -1.073143 -0.002091 -0.002090 -0.007749 0.008294 -0.006232 -0.017544 -0.017545 0.000000 -0.013115 -0.029021 0.008418 0.020603 17.997137 14.898300 4.495017 -11.169123 14.898328 -11.169147 24.194782 -0.000000 151 C 5.759650 12.789350 4.081893 0.128459 44.113302 0.38867406E+03 0.88600568E+04 10.944802 6.601370 -0.137053 1.964204 0.999248 26.224212 73.548606 0.639059 0.420450 -1.064671 0.002081 -0.002056 0.010697 0.011089 -0.000319 -0.009519 0.009526 -0.000019 0.038675 -0.013103 -0.006765 0.019868 16.875919 14.850108 -1.153400 -8.942237 14.849895 8.942116 20.927754 0.000000 152 C 6.484730 12.064270 3.056504 -0.016353 46.745237 0.40879178E+03 0.94242821E+04 11.294246 6.681595 -0.042245 1.980649 0.999433 27.377804 76.879523 0.648740 0.409533 -1.073137 0.002088 -0.002086 0.007758 0.008301 0.006217 -0.017539 0.017540 -0.000004 -0.013082 -0.029004 0.008398 0.020606 17.997138 14.898368 -4.495028 -11.169084 14.898455 11.169148 24.194590 0.000000 153 C 12.789350 5.759650 4.081893 0.128459 44.113294 0.38867401E+03 0.88600554E+04 10.944799 6.601370 -0.137052 1.964204 0.999248 26.224211 73.548599 0.639060 0.420450 -1.064671 -0.002057 0.002080 0.010697 0.011089 -0.000320 0.009526 -0.009519 0.000018 0.038675 -0.013103 -0.006765 0.019869 16.875913 14.849889 -1.153395 8.942107 14.850109 -8.942234 20.927742 0.000000 154 C 12.064270 6.484730 3.056504 -0.016354 46.745215 0.40879167E+03 0.94242785E+04 11.294241 6.681593 -0.042244 1.980650 0.999433 27.377799 76.879490 0.648740 0.409533 -1.073138 -0.002086 0.002087 0.007758 0.008301 0.006217 0.017540 -0.017539 0.000004 -0.013083 -0.029004 0.008398 0.020606 17.997126 14.898406 -4.495023 11.169104 14.898400 -11.169111 24.194572 0.000000 155 C 5.759650 5.759650 14.467107 0.128531 44.111787 0.38864334E+03 0.88591855E+04 10.944614 6.601143 -0.137089 1.964212 0.999248 26.223034 73.544699 0.639065 0.420454 -1.064667 0.002058 0.002058 -0.010706 0.011095 0.000294 0.009532 0.009532 0.000000 0.038618 -0.013130 -0.006730 0.019861 16.875763 14.849724 1.153533 8.942178 14.849726 8.942178 20.927839 -0.000000 156 C 6.484730 6.484730 15.492496 -0.016362 46.745046 0.40878668E+03 0.94241232E+04 11.294219 6.681538 -0.042048 1.980718 0.999433 27.377527 76.878257 0.648746 0.409532 -1.073140 0.002089 0.002089 -0.007753 0.008296 -0.006226 0.017543 0.017543 -0.000000 -0.013102 -0.029015 0.008410 0.020605 17.997226 14.898370 4.495045 11.169181 14.898402 11.169209 24.194904 0.000000 157 C 12.789350 14.467107 5.759650 0.128544 44.110409 0.38863706E+03 0.88590013E+04 10.944376 6.601068 -0.137041 1.964228 0.999248 26.222789 73.543701 0.639072 0.420451 -1.064670 -0.002049 -0.010706 0.002063 0.011093 -0.009534 -0.000284 0.009535 -0.019292 -0.019296 -0.013139 -0.006715 0.019854 16.875341 14.849162 -8.941886 -1.153607 20.927415 8.942072 14.849447 0.000000 158 C 12.064270 15.492496 6.484730 -0.016364 46.744841 0.40878593E+03 0.94240965E+04 11.294185 6.681517 -0.042069 1.980710 0.999433 27.377502 76.878008 0.648749 0.409530 -1.073142 -0.002090 -0.007751 0.002090 0.008295 -0.017545 0.006229 0.017543 0.006555 0.006549 -0.029018 0.008414 0.020604 17.997167 14.898261 -11.169088 -4.495032 24.194828 11.169228 14.898414 -0.000000 159 C 5.759650 4.081893 5.759650 0.128418 44.115607 0.38868983E+03 0.88605073E+04 10.945166 6.601507 -0.137130 1.964175 0.999248 26.224772 73.550586 0.639052 0.420450 -1.064670 0.002075 0.010692 0.002075 0.011088 -0.009520 0.000323 -0.009520 -0.019348 -0.019348 -0.013098 -0.006773 0.019871 16.876581 14.850581 -8.942552 1.153433 20.928567 -8.942563 14.850595 -0.000000 160 C 6.484730 3.056504 6.484730 -0.016348 46.745370 0.40879220E+03 0.94243013E+04 11.294280 6.681613 -0.042194 1.980666 0.999433 27.377844 76.879861 0.648736 0.409535 -1.073135 0.002084 0.007763 0.002084 0.008304 -0.017541 -0.006215 -0.017542 0.006537 0.006537 -0.029005 0.008394 0.020611 17.997193 14.898433 -11.169133 4.495048 24.194666 -11.169174 14.898481 -0.000000 161 C 12.789350 4.081893 12.789350 0.128499 44.111019 0.38865793E+03 0.88595960E+04 10.944433 6.601227 -0.136980 1.964231 0.999248 26.223650 73.546613 0.639067 0.420449 -1.064671 -0.002062 0.010700 -0.002062 0.011090 0.009523 0.000315 0.009523 -0.019327 -0.019327 -0.013106 -0.006757 0.019863 16.875249 14.849430 8.941752 1.153297 20.926876 8.941761 14.849441 -0.000000 162 C 12.064270 3.056504 12.064270 -0.016359 46.744926 0.40879015E+03 0.94242236E+04 11.294164 6.681556 -0.042284 1.980637 0.999433 27.377713 76.878872 0.648746 0.409530 -1.073141 -0.002089 0.007754 -0.002089 0.008297 0.017537 -0.006219 0.017538 0.006545 0.006545 -0.029002 0.008400 0.020602 17.996986 14.898273 11.168984 4.494960 24.194366 11.169024 14.898320 -0.000001 163 C 5.759650 14.467107 12.789350 0.128545 44.110302 0.38863637E+03 0.88589802E+04 10.944354 6.601060 -0.137039 1.964229 0.999248 26.222758 73.543555 0.639073 0.420451 -1.064670 0.002063 -0.010705 -0.002049 0.011093 0.009535 -0.000284 -0.009533 -0.019294 -0.019290 -0.013139 -0.006715 0.019854 16.875298 14.849394 8.942034 -1.153604 20.927359 -8.941872 14.849141 -0.000000 164 C 6.484730 15.492496 12.064270 -0.016364 46.744748 0.40878543E+03 0.94240802E+04 11.294164 6.681509 -0.042063 1.980712 0.999433 27.377479 76.877876 0.648750 0.409529 -1.073142 0.002090 -0.007751 -0.002089 0.008295 0.017543 0.006229 -0.017545 0.006552 0.006559 -0.029018 0.008414 0.020605 17.997122 14.898334 11.169155 -4.495015 24.194758 -11.169093 14.898274 -0.000001 165 C 14.467107 12.789350 5.759650 0.128547 44.110310 0.38863609E+03 0.88589732E+04 10.944361 6.601060 -0.137045 1.964227 0.999248 26.222748 73.543553 0.639073 0.420451 -1.064670 -0.010705 -0.002049 0.002063 0.011093 -0.009532 0.009533 -0.000283 0.019292 -0.019296 -0.013138 -0.006714 0.019852 16.875320 20.927396 -8.941888 8.942060 14.849149 -1.153620 14.849415 0.000001 166 C 15.492496 12.064270 6.484730 -0.016369 46.745039 0.40878780E+03 0.94241510E+04 11.294214 6.681531 -0.042069 1.980709 0.999433 27.377583 76.878302 0.648749 0.409530 -1.073142 -0.007750 -0.002089 0.002090 0.008295 -0.017546 0.017544 0.006229 -0.006555 0.006549 -0.029019 0.008413 0.020606 17.997215 24.194887 -11.169153 11.169223 14.898344 -4.495042 14.898415 0.000001 167 C 4.081893 12.789350 12.789350 0.128501 44.110993 0.38865756E+03 0.88595862E+04 10.944431 6.601226 -0.136981 1.964231 0.999248 26.223636 73.546588 0.639067 0.420449 -1.064671 0.010699 -0.002062 -0.002062 0.011090 0.009523 0.009523 0.000315 0.019327 -0.019326 -0.013106 -0.006757 0.019863 16.875249 20.926874 8.941758 8.941757 14.849438 1.153299 14.849435 0.000000 168 C 3.056504 12.064270 12.064270 -0.016361 46.745066 0.40879137E+03 0.94242601E+04 11.294186 6.681567 -0.042284 1.980636 0.999433 27.377766 76.879086 0.648746 0.409530 -1.073141 0.007753 -0.002089 -0.002089 0.008297 0.017538 0.017538 -0.006219 -0.006545 0.006545 -0.029003 0.008400 0.020603 17.997025 24.194411 11.169041 11.169013 14.898347 4.494964 14.898315 0.000001 169 C 4.081893 5.759650 5.759650 0.128420 44.115502 0.38868880E+03 0.88604773E+04 10.945149 6.601498 -0.137135 1.964174 0.999248 26.224728 73.550414 0.639053 0.420450 -1.064670 0.010692 0.002075 0.002075 0.011087 -0.009518 -0.009518 0.000322 0.019348 -0.019348 -0.013097 -0.006772 0.019869 16.876558 20.928552 -8.942556 -8.942554 14.850561 1.153453 14.850559 0.000001 170 C 3.056504 6.484730 6.484730 -0.016353 46.745608 0.40879439E+03 0.94243655E+04 11.294316 6.681630 -0.042196 1.980664 0.999433 27.377939 76.880214 0.648735 0.409535 -1.073135 0.007762 0.002084 0.002084 0.008303 -0.017543 -0.017543 -0.006215 -0.006536 0.006537 -0.029007 0.008394 0.020613 17.997256 24.194749 -11.169210 -11.169178 14.898527 4.495063 14.898491 0.000001 171 C 14.467107 5.759650 12.789350 0.128547 44.110288 0.38863607E+03 0.88589727E+04 10.944356 6.601060 -0.137041 1.964229 0.999248 26.222747 73.543546 0.639073 0.420451 -1.064670 -0.010705 0.002063 -0.002049 0.011093 0.009534 -0.009533 -0.000284 0.019294 -0.019289 -0.013138 -0.006714 0.019853 16.875303 20.927367 8.942049 -8.941869 14.849410 -1.153610 14.849133 0.000000 172 C 15.492496 6.484730 12.064270 -0.016367 46.744914 0.40878680E+03 0.94241217E+04 11.294193 6.681523 -0.042064 1.980711 0.999433 27.377539 76.878136 0.648749 0.409530 -1.073142 -0.007751 0.002090 -0.002090 0.008295 0.017543 -0.017546 0.006229 -0.006553 0.006559 -0.029019 0.008414 0.020605 17.997173 24.194823 11.169222 -11.169090 14.898420 -4.495023 14.898278 0.000000 173 C 12.789350 12.789350 4.081893 0.128499 44.111140 0.38865872E+03 0.88596199E+04 10.944457 6.601236 -0.136981 1.964230 0.999248 26.223683 73.546764 0.639066 0.420449 -1.064671 -0.002062 -0.002062 0.010700 0.011090 0.000316 0.009524 0.009524 -0.000000 0.038654 -0.013107 -0.006758 0.019864 16.875301 14.849484 1.153314 8.941803 14.849464 8.941785 20.926955 0.000000 174 C 12.064270 12.064270 3.056504 -0.016359 46.745061 0.40879090E+03 0.94242477E+04 11.294194 6.681567 -0.042291 1.980634 0.999433 27.377746 76.879055 0.648745 0.409531 -1.073140 -0.002089 -0.002089 0.007754 0.008298 -0.006219 0.017537 0.017537 0.000000 -0.013090 -0.029002 0.008401 0.020601 17.997054 14.898368 4.494990 11.169075 14.898323 11.169037 24.194470 0.000000 175 C 12.789350 5.759650 14.467107 0.128545 44.110352 0.38863661E+03 0.88589883E+04 10.944366 6.601064 -0.137038 1.964229 0.999248 26.222771 73.543637 0.639073 0.420451 -1.064670 -0.002049 0.002063 -0.010705 0.011093 -0.000284 -0.009534 0.009535 0.000002 0.038587 -0.013139 -0.006715 0.019854 16.875321 14.849167 -1.153603 -8.941889 14.849412 8.942042 20.927384 -0.000000 176 C 12.064270 6.484730 15.492496 -0.016365 46.744874 0.40878628E+03 0.94241070E+04 11.294191 6.681521 -0.042068 1.980710 0.999433 27.377515 76.878065 0.648749 0.409530 -1.073142 -0.002089 0.002090 -0.007751 0.008295 0.006229 -0.017545 0.017543 0.000004 -0.013108 -0.029018 0.008414 0.020604 17.997174 14.898318 -4.495031 -11.169132 14.898372 11.169189 24.194832 -0.000000 177 C 5.759650 12.789350 14.467107 0.128545 44.110362 0.38863665E+03 0.88589898E+04 10.944369 6.601066 -0.137038 1.964229 0.999248 26.222772 73.543648 0.639072 0.420451 -1.064670 0.002063 -0.002049 -0.010705 0.011093 -0.000284 0.009535 -0.009534 -0.000002 0.038586 -0.013139 -0.006715 0.019854 16.875328 14.849438 -1.153609 8.942069 14.849148 -8.941875 20.927397 0.000000 178 C 6.484730 12.064270 15.492496 -0.016365 46.744893 0.40878634E+03 0.94241093E+04 11.294197 6.681523 -0.042069 1.980710 0.999433 27.377518 76.878096 0.648749 0.409530 -1.073141 0.002090 -0.002090 -0.007751 0.008295 0.006229 0.017543 -0.017545 -0.000003 -0.013108 -0.029018 0.008414 0.020604 17.997187 14.898435 -4.495035 11.169243 14.898275 -11.169097 24.194852 0.000000 179 C 5.759650 5.759650 4.081893 0.128417 44.115646 0.38869016E+03 0.88605168E+04 10.945173 6.601510 -0.137128 1.964175 0.999248 26.224783 73.550626 0.639052 0.420450 -1.064670 0.002075 0.002075 0.010692 0.011088 0.000324 -0.009520 -0.009520 -0.000000 0.038696 -0.013099 -0.006773 0.019872 16.876598 14.850605 1.153449 -8.942583 14.850586 -8.942567 20.928601 0.000000 180 C 6.484730 6.484730 3.056504 -0.016347 46.745375 0.40879201E+03 0.94242973E+04 11.294289 6.681616 -0.042196 1.980666 0.999433 27.377836 76.879879 0.648735 0.409536 -1.073135 0.002084 0.002085 0.007763 0.008304 -0.006215 -0.017541 -0.017541 0.000000 -0.013075 -0.029005 0.008395 0.020610 17.997213 14.898490 4.495057 -11.169185 14.898451 -11.169152 24.194697 0.000000 181 C 13.981865 13.981865 12.285559 -0.247720 43.204186 0.49034108E+03 0.11927402E+05 10.853341 7.469088 -0.121719 1.920010 0.999289 31.598154 93.611306 0.590188 0.426646 -1.053557 0.002800 0.002800 0.007871 0.008811 0.015511 -0.016219 -0.016219 -0.000000 0.079609 -0.028779 -0.011565 0.040344 14.831744 17.434724 -9.713452 -2.098498 17.434720 -2.098489 9.625789 -0.000000 182 C 4.567135 4.567135 12.285559 -0.247546 43.199307 0.49027766E+03 0.11925401E+05 10.851952 7.468144 -0.120954 1.920242 0.999291 31.595911 93.601003 0.590284 0.426594 -1.053596 -0.002757 -0.002756 0.007813 0.008731 0.015470 0.016206 0.016206 0.000000 0.079807 -0.028772 -0.011585 0.040357 14.829447 17.431678 -9.710728 2.098767 17.431667 2.098752 9.624994 -0.000001 183 C 4.567135 13.981865 6.263441 -0.247716 43.204840 0.49034450E+03 0.11927480E+05 10.853130 7.468847 -0.121336 1.920110 0.999290 31.598289 93.611035 0.590230 0.426616 -1.053579 -0.002731 0.002791 -0.007890 0.008804 -0.015497 -0.016155 0.016236 -0.000055 0.079642 -0.028771 -0.011547 0.040318 14.831400 17.434623 9.712697 -2.099279 17.433694 2.098235 9.625884 0.000001 184 C 13.981865 4.567135 6.263441 -0.247715 43.204828 0.49034434E+03 0.11927474E+05 10.853127 7.468845 -0.121337 1.920109 0.999290 31.598284 93.610997 0.590231 0.426616 -1.053579 0.002792 -0.002729 -0.007890 0.008804 -0.015497 0.016236 -0.016154 0.000059 0.079642 -0.028771 -0.011547 0.040318 14.831397 17.433718 9.712698 2.098263 17.434594 -2.099246 9.625878 0.000001 185 C 12.285559 13.981865 13.981865 -0.247721 43.204258 0.49034195E+03 0.11927428E+05 10.853352 7.469095 -0.121722 1.920009 0.999289 31.598192 93.611438 0.590188 0.426646 -1.053558 0.007871 0.002800 0.002800 0.008811 -0.016219 -0.016219 0.015511 0.039805 -0.039806 -0.028779 -0.011566 0.040345 14.831763 9.625797 -2.098498 -2.098492 17.434751 -9.713468 17.434740 -0.000002 186 C 12.285559 4.567135 4.567135 -0.247549 43.199572 0.49028076E+03 0.11925498E+05 10.852000 7.468171 -0.120960 1.920239 0.999291 31.596036 93.601527 0.590282 0.426594 -1.053596 0.007813 -0.002756 -0.002756 0.008731 0.016207 0.016207 0.015469 0.039905 -0.039906 -0.028771 -0.011588 0.040359 14.829525 9.625038 2.098767 2.098772 17.431768 -9.710790 17.431770 -0.000001 187 C 6.263441 4.567135 13.981865 -0.247717 43.204927 0.49034569E+03 0.11927517E+05 10.853147 7.468858 -0.121335 1.920109 0.999290 31.598331 93.611210 0.590230 0.426616 -1.053578 -0.007891 -0.002730 0.002791 0.008804 -0.016156 0.016236 -0.015497 0.039850 -0.039738 -0.028771 -0.011548 0.040319 14.831421 9.625897 -2.099271 2.098250 17.434640 9.712709 17.433725 -0.000002 188 C 6.263441 13.981865 4.567135 -0.247718 43.205004 0.49034652E+03 0.11927542E+05 10.853159 7.468864 -0.121337 1.920108 0.999290 31.598368 93.611337 0.590230 0.426616 -1.053578 -0.007891 0.002791 -0.002729 0.008804 0.016237 -0.016156 -0.015497 0.039794 -0.039909 -0.028771 -0.011549 0.040320 14.831445 9.625904 2.098249 -2.099272 17.433761 9.712734 17.434670 -0.000001 189 C 13.981865 12.285559 13.981865 -0.247721 43.204287 0.49034211E+03 0.11927435E+05 10.853365 7.469101 -0.121721 1.920009 0.999289 31.598188 93.611507 0.590187 0.426647 -1.053557 0.002800 0.007871 0.002800 0.008811 -0.016220 0.015511 -0.016219 -0.039804 -0.039806 -0.028779 -0.011566 0.040345 14.831787 17.434773 -2.098498 -9.713489 9.625810 -2.098497 17.434776 0.000001 190 C 4.567135 12.285559 4.567135 -0.247546 43.199302 0.49027745E+03 0.11925392E+05 10.851947 7.468140 -0.120957 1.920241 0.999291 31.595911 93.600938 0.590284 0.426593 -1.053597 -0.002757 0.007812 -0.002756 0.008731 0.016206 0.015471 0.016205 -0.039902 -0.039907 -0.028772 -0.011585 0.040357 14.829448 17.431680 2.098754 -9.710743 9.624980 2.098753 17.431684 0.000002 191 C 13.981865 6.263441 4.567135 -0.247715 43.204773 0.49034367E+03 0.11927452E+05 10.853113 7.468837 -0.121335 1.920110 0.999290 31.598262 93.610845 0.590232 0.426615 -1.053579 0.002792 -0.007890 -0.002729 0.008803 0.016236 -0.015498 -0.016154 -0.039791 -0.039911 -0.028772 -0.011546 0.040318 14.831377 17.433687 2.098246 9.712691 9.625857 -2.099250 17.434587 0.000002 192 C 4.567135 6.263441 13.981865 -0.247716 43.204885 0.49034502E+03 0.11927497E+05 10.853142 7.468853 -0.121335 1.920110 0.999290 31.598302 93.611120 0.590230 0.426616 -1.053578 -0.002730 -0.007891 0.002791 0.008804 -0.016155 -0.015497 0.016236 -0.039850 -0.039738 -0.028771 -0.011547 0.040318 14.831418 17.434634 -2.099268 9.712713 9.625891 2.098248 17.433728 0.000000 193 C 13.981865 13.981865 6.263441 -0.247716 43.204721 0.49034331E+03 0.11927476E+05 10.853471 7.469118 -0.121747 1.920001 0.999289 31.598222 93.611741 0.590185 0.426648 -1.053556 0.002800 0.002798 -0.007872 0.008812 0.015511 0.016220 0.016219 0.000002 0.079603 -0.028778 -0.011566 0.040344 14.831995 17.435021 -9.713643 2.098549 17.435015 2.098535 9.625951 0.000001 194 C 4.567135 4.567135 6.263441 -0.247535 43.200526 0.49028658E+03 0.11925690E+05 10.852227 7.468255 -0.121042 1.920212 0.999291 31.596193 93.602595 0.590273 0.426599 -1.053592 -0.002756 -0.002754 -0.007813 0.008731 0.015468 -0.016207 -0.016206 0.000002 0.079780 -0.028764 -0.011587 0.040351 14.829957 17.432316 -9.711168 -2.098829 17.432302 -2.098807 9.625253 0.000000 195 C 13.981865 4.567135 12.285559 -0.247723 43.203956 0.49033882E+03 0.11927295E+05 10.852925 7.468776 -0.121278 1.920129 0.999290 31.598110 93.609992 0.590237 0.426613 -1.053582 0.002796 -0.002728 0.007889 0.008803 -0.015499 -0.016236 0.016154 0.000055 0.079658 -0.028775 -0.011546 0.040321 14.831018 17.433297 9.712384 -2.098255 17.434088 2.099148 9.625669 -0.000001 196 C 4.567135 13.981865 12.285559 -0.247723 43.203971 0.49033902E+03 0.11927301E+05 10.852929 7.468778 -0.121278 1.920129 0.999290 31.598117 93.610036 0.590237 0.426613 -1.053582 -0.002729 0.002795 0.007889 0.008804 -0.015498 0.016154 -0.016236 -0.000055 0.079659 -0.028775 -0.011546 0.040321 14.831022 17.434084 9.712384 2.099149 17.433308 -2.098258 9.625675 -0.000001 197 C 13.981865 12.285559 4.567135 -0.247723 43.203977 0.49033888E+03 0.11927296E+05 10.852929 7.468776 -0.121281 1.920128 0.999290 31.598115 93.609988 0.590237 0.426613 -1.053582 0.002796 0.007889 -0.002728 0.008803 -0.016236 -0.015499 0.016153 -0.039800 -0.039915 -0.028775 -0.011546 0.040321 14.831031 17.433328 -2.098258 9.712406 9.625665 2.099138 17.434102 0.000002 198 C 4.567135 12.285559 13.981865 -0.247724 43.204088 0.49034022E+03 0.11927340E+05 10.852957 7.468792 -0.121282 1.920128 0.999290 31.598155 93.610258 0.590236 0.426613 -1.053581 -0.002729 0.007890 0.002795 0.008804 0.016154 -0.015498 -0.016236 -0.039857 -0.039748 -0.028775 -0.011546 0.040321 14.831071 17.434157 2.099161 9.712429 9.625697 -2.098254 17.433359 0.000000 199 C 4.567135 6.263441 4.567135 -0.247535 43.200447 0.49028565E+03 0.11925659E+05 10.852206 7.468242 -0.121040 1.920213 0.999291 31.596165 93.602385 0.590274 0.426598 -1.053592 -0.002756 -0.007813 -0.002754 0.008730 -0.016206 0.015468 -0.016206 -0.039889 -0.039894 -0.028765 -0.011586 0.040351 14.829928 17.432289 -2.098819 -9.711156 9.625224 -2.098798 17.432271 0.000002 200 C 13.981865 6.263441 13.981865 -0.247717 43.204750 0.49034366E+03 0.11927487E+05 10.853479 7.469123 -0.121745 1.920002 0.999289 31.598231 93.611804 0.590185 0.426648 -1.053556 0.002800 -0.007873 0.002799 0.008812 0.016220 0.015511 0.016219 -0.039802 -0.039804 -0.028779 -0.011566 0.040345 14.832006 17.435041 2.098554 -9.713651 9.625956 2.098533 17.435020 0.000000 201 C 12.285559 13.981865 4.567135 -0.247725 43.204182 0.49034145E+03 0.11927377E+05 10.852967 7.468798 -0.121284 1.920126 0.999290 31.598216 93.610429 0.590236 0.426613 -1.053581 0.007890 0.002795 -0.002728 0.008803 -0.016237 0.016155 -0.015498 0.039802 -0.039914 -0.028775 -0.011548 0.040322 14.831086 9.625704 -2.098252 2.099166 17.433374 9.712439 17.434180 -0.000001 202 C 12.285559 4.567135 13.981865 -0.247725 43.204108 0.49034065E+03 0.11927352E+05 10.852955 7.468793 -0.121282 1.920127 0.999290 31.598180 93.610308 0.590236 0.426613 -1.053581 0.007890 -0.002729 0.002795 0.008804 0.016155 -0.016236 -0.015498 0.039857 -0.039749 -0.028775 -0.011547 0.040322 14.831063 9.625698 2.099154 -2.098264 17.434137 9.712416 17.433354 -0.000002 203 C 6.263441 13.981865 13.981865 -0.247717 43.204738 0.49034368E+03 0.11927486E+05 10.853472 7.469120 -0.121745 1.920001 0.999289 31.598237 93.611770 0.590185 0.426648 -1.053556 -0.007873 0.002799 0.002799 0.008812 0.016220 0.016220 0.015511 0.039802 -0.039804 -0.028779 -0.011566 0.040345 14.831991 9.625949 2.098539 2.098545 17.435010 -9.713637 17.435015 -0.000002 204 C 6.263441 4.567135 4.567135 -0.247538 43.200739 0.49028922E+03 0.11925772E+05 10.852266 7.468278 -0.121044 1.920210 0.999291 31.596295 93.603019 0.590272 0.426599 -1.053591 -0.007814 -0.002754 -0.002754 0.008731 -0.016208 -0.016207 0.015467 0.039892 -0.039893 -0.028764 -0.011589 0.040353 14.830016 9.625288 -2.098817 -2.098836 17.432369 -9.711211 17.432390 -0.000001 205 N 16.972335 11.498711 10.537130 -0.081514 38.267194 0.47037072E+03 0.11077212E+05 9.532708 6.970150 0.106978 2.060572 0.999710 26.746637 72.566404 0.671492 0.387325 -1.103315 -0.067415 -0.016550 0.090628 0.114158 -0.017425 -0.000993 -0.045082 -0.035562 -0.016586 -0.044077 -0.012876 0.056953 12.831353 16.335825 -4.525712 -6.213820 9.324103 0.171241 12.834131 0.000003 206 N 1.576665 7.050289 10.537130 -0.081511 38.267126 0.47036856E+03 0.11077149E+05 9.532701 6.970136 0.106985 2.060575 0.999710 26.746575 72.566205 0.671492 0.387325 -1.103314 0.067415 0.016549 0.090628 0.114158 -0.017424 0.000991 0.045082 -0.035560 -0.016587 -0.044076 -0.012877 0.056953 12.831348 16.335813 -4.525732 6.213837 9.324089 -0.171274 12.834141 0.000002 207 N 1.576665 11.498711 8.011870 -0.081515 38.267322 0.47037064E+03 0.11077211E+05 9.532734 6.970153 0.106983 2.060574 0.999710 26.746630 72.566401 0.671491 0.387325 -1.103314 0.067412 -0.016549 -0.090629 0.114157 0.017425 -0.000993 0.045081 -0.035557 -0.016588 -0.044077 -0.012875 0.056951 12.831405 16.335899 4.525769 -6.213875 9.324145 -0.171287 12.834172 0.000003 208 N 16.972335 7.050289 8.011870 -0.081517 38.267344 0.47037253E+03 0.11077268E+05 9.532744 6.970170 0.106971 2.060569 0.999710 26.746689 72.566645 0.671490 0.387326 -1.103314 -0.067411 0.016549 -0.090629 0.114156 0.017426 0.000994 -0.045082 -0.035558 -0.016586 -0.044078 -0.012874 0.056952 12.831427 16.335986 4.525766 6.213881 9.324132 0.171270 12.834162 0.000002 209 N 10.537130 16.972335 11.498711 -0.081515 38.267239 0.47037150E+03 0.11077234E+05 9.532709 6.970152 0.106978 2.060572 0.999710 26.746665 72.566462 0.671492 0.387324 -1.103315 0.090629 -0.067414 -0.016549 0.114158 -0.000994 -0.045083 -0.017425 0.009487 0.061633 -0.044078 -0.012875 0.056953 12.831354 12.834128 -6.213822 0.171244 16.335829 -4.525713 9.324104 -0.000002 210 N 10.537130 1.576665 7.050289 -0.081513 38.267209 0.47036978E+03 0.11077184E+05 9.532711 6.970143 0.106983 2.060574 0.999710 26.746616 72.566322 0.671492 0.387325 -1.103315 0.090628 0.067414 0.016549 0.114158 0.000992 0.045083 -0.017424 0.009486 0.061631 -0.044077 -0.012876 0.056953 12.831364 12.834156 6.213851 -0.171280 16.335839 -4.525738 9.324095 -0.000002 211 N 8.011870 1.576665 11.498711 -0.081515 38.267286 0.47037059E+03 0.11077207E+05 9.532720 6.970147 0.106988 2.060575 0.999710 26.746633 72.566348 0.671492 0.387324 -1.103315 -0.090629 0.067414 -0.016549 0.114158 -0.000993 0.045083 0.017424 0.009485 0.061632 -0.044077 -0.012875 0.056952 12.831377 12.834151 -6.213859 -0.171282 16.335855 4.525749 9.324125 -0.000002 212 N 8.011870 16.972335 7.050289 -0.081517 38.267350 0.47037299E+03 0.11077280E+05 9.532737 6.970168 0.106974 2.060569 0.999710 26.746708 72.566653 0.671491 0.387325 -1.103314 -0.090629 -0.067413 0.016549 0.114158 0.000994 -0.045083 0.017425 0.009487 0.061631 -0.044078 -0.012875 0.056953 12.831412 12.834160 6.213878 0.171267 16.335962 4.525747 9.324113 -0.000002 213 N 11.498711 10.537130 16.972335 -0.081515 38.267252 0.47037152E+03 0.11077236E+05 9.532716 6.970155 0.106974 2.060570 0.999710 26.746666 72.566502 0.671492 0.387325 -1.103315 -0.016549 0.090629 -0.067413 0.114158 -0.045082 -0.017425 -0.000994 0.026073 -0.045047 -0.044077 -0.012875 0.056952 12.831367 9.324114 0.171247 -4.525722 12.834138 -6.213828 16.335848 -0.000004 214 N 7.050289 10.537130 1.576665 -0.081513 38.267232 0.47037007E+03 0.11077193E+05 9.532715 6.970145 0.106987 2.060575 0.999710 26.746626 72.566363 0.671492 0.387325 -1.103315 0.016549 0.090629 0.067414 0.114158 0.045083 -0.017424 0.000992 0.026072 -0.045044 -0.044077 -0.012875 0.056953 12.831372 9.324098 -0.171281 -4.525739 12.834166 6.213860 16.335852 -0.000005 215 N 11.498711 8.011870 1.576665 -0.081514 38.267283 0.47037047E+03 0.11077204E+05 9.532721 6.970147 0.106987 2.060575 0.999710 26.746630 72.566357 0.671492 0.387325 -1.103315 -0.016549 -0.090629 0.067414 0.114158 0.045083 0.017424 -0.000993 0.026073 -0.045044 -0.044077 -0.012875 0.056952 12.831382 9.324119 -0.171284 4.525743 12.834166 -6.213870 16.335861 -0.000004 216 N 7.050289 8.011870 16.972335 -0.081516 38.267353 0.47037302E+03 0.11077280E+05 9.532738 6.970169 0.106978 2.060571 0.999710 26.746709 72.566662 0.671490 0.387325 -1.103314 0.016549 -0.090629 -0.067413 0.114158 -0.045083 0.017425 0.000994 0.026072 -0.045046 -0.044078 -0.012875 0.056953 12.831415 9.324121 0.171266 4.525753 12.834156 6.213875 16.335967 -0.000005 217 N 11.498711 16.972335 8.011870 -0.081516 38.267330 0.47037235E+03 0.11077261E+05 9.532731 6.970163 0.106974 2.060570 0.999710 26.746694 72.566613 0.671491 0.387325 -1.103314 -0.016549 -0.067413 -0.090629 0.114158 -0.017425 0.045083 0.000994 0.035559 -0.016586 -0.044078 -0.012874 0.056953 12.831400 9.324122 -4.525733 -0.171260 16.335919 6.213870 12.834160 -0.000002 218 N 7.050289 1.576665 8.011870 -0.081514 38.267257 0.47037033E+03 0.11077201E+05 9.532721 6.970148 0.106985 2.060574 0.999710 26.746632 72.566389 0.671492 0.387325 -1.103314 0.016548 0.067414 -0.090629 0.114158 -0.017424 -0.045083 -0.000993 0.035558 -0.016587 -0.044078 -0.012875 0.056953 12.831387 9.324108 -4.525753 0.171291 16.335894 -6.213875 12.834159 -0.000002 219 N 11.498711 1.576665 10.537130 -0.081514 38.267247 0.47037009E+03 0.11077193E+05 9.532716 6.970147 0.106986 2.060575 0.999710 26.746615 72.566312 0.671492 0.387325 -1.103315 -0.016549 0.067414 0.090628 0.114158 0.017423 -0.045083 0.000992 0.035560 -0.016587 -0.044076 -0.012876 0.056952 12.831363 9.324120 4.525737 0.171270 16.335814 6.213839 12.834155 -0.000002 220 N 7.050289 16.972335 10.537130 -0.081516 38.267263 0.47037220E+03 0.11077256E+05 9.532722 6.970163 0.106977 2.060571 0.999710 26.746678 72.566544 0.671491 0.387325 -1.103314 0.016549 -0.067414 0.090628 0.114157 0.017424 0.045083 -0.000993 0.035560 -0.016585 -0.044077 -0.012876 0.056953 12.831374 9.324109 4.525739 -0.171254 16.335889 -6.213828 12.834125 -0.000001 221 N 16.972335 10.537130 7.050289 -0.081510 38.267003 0.47036829E+03 0.11077143E+05 9.532688 6.970140 0.106963 2.060569 0.999710 26.746559 72.566205 0.671491 0.387326 -1.103314 -0.067411 0.090628 0.016548 0.114156 -0.000993 0.017425 0.045084 -0.009488 0.061635 -0.044078 -0.012876 0.056954 12.831323 16.335811 -6.213795 4.525719 12.834080 -0.171252 9.324078 0.000003 222 N 1.576665 10.537130 11.498711 -0.081512 38.267196 0.47036922E+03 0.11077168E+05 9.532710 6.970141 0.106988 2.060576 0.999710 26.746589 72.566233 0.671492 0.387325 -1.103314 0.067414 0.090628 -0.016550 0.114158 0.000992 0.017424 -0.045081 -0.009486 0.061634 -0.044075 -0.012876 0.056952 12.831355 16.335805 6.213827 4.525742 12.834137 0.171268 9.324122 0.000003 223 N 1.576665 8.011870 7.050289 -0.081508 38.267004 0.47036660E+03 0.11077093E+05 9.532688 6.970126 0.106970 2.060572 0.999710 26.746516 72.566061 0.671492 0.387326 -1.103314 0.067412 -0.090629 0.016547 0.114156 -0.000992 -0.017424 -0.045084 -0.009486 0.061633 -0.044077 -0.012876 0.056954 12.831335 16.335813 -6.213841 -4.525730 12.834116 0.171285 9.324076 0.000003 224 N 16.972335 8.011870 11.498711 -0.081515 38.267274 0.47037148E+03 0.11077236E+05 9.532724 6.970158 0.106976 2.060571 0.999710 26.746665 72.566527 0.671491 0.387325 -1.103314 -0.067413 -0.090629 -0.016550 0.114158 0.000994 -0.017425 0.045081 -0.009486 0.061634 -0.044077 -0.012875 0.056952 12.831389 16.335901 6.213857 -4.525732 12.834146 -0.171255 9.324120 0.000003 225 N 10.537130 11.498711 1.576665 -0.081514 38.267290 0.47037049E+03 0.11077205E+05 9.532724 6.970149 0.106985 2.060574 0.999710 26.746631 72.566373 0.671492 0.387325 -1.103315 0.090628 -0.016549 0.067414 0.114158 -0.045083 0.000993 0.017424 -0.026072 -0.045045 -0.044077 -0.012876 0.056952 12.831381 12.834171 0.171276 6.213853 9.324129 4.525748 16.335844 -0.000005 226 N 10.537130 7.050289 16.972335 -0.081516 38.267289 0.47037241E+03 0.11077262E+05 9.532726 6.970163 0.106980 2.060572 0.999710 26.746687 72.566568 0.671491 0.387325 -1.103315 0.090629 0.016550 -0.067413 0.114158 0.045083 -0.000994 0.017425 -0.026072 -0.045046 -0.044078 -0.012875 0.056953 12.831385 12.834137 -0.171257 -6.213839 9.324112 4.525743 16.335905 -0.000005 227 N 8.011870 11.498711 16.972335 -0.081516 38.267372 0.47037285E+03 0.11077276E+05 9.532740 6.970167 0.106974 2.060569 0.999710 26.746710 72.566679 0.671491 0.387325 -1.103314 -0.090629 -0.016549 -0.067413 0.114158 0.045082 0.000994 -0.017425 -0.026072 -0.045046 -0.044077 -0.012875 0.056952 12.831415 12.834185 -0.171258 6.213885 9.324125 -4.525731 16.335936 -0.000005 228 N 8.011870 7.050289 1.576665 -0.081515 38.267293 0.47037081E+03 0.11077215E+05 9.532726 6.970150 0.106989 2.060575 0.999710 26.746648 72.566436 0.671492 0.387325 -1.103315 -0.090629 0.016549 0.067415 0.114159 -0.045083 -0.000993 -0.017424 -0.026072 -0.045043 -0.044077 -0.012875 0.056952 12.831398 12.834170 0.171293 -6.213883 9.324113 -4.525759 16.335911 -0.000005 229 N 1.576665 7.050289 8.011870 -0.081480 38.265716 0.47035024E+03 0.11076591E+05 9.532408 6.969956 0.107041 2.060601 0.999710 26.746043 72.563941 0.671508 0.387320 -1.103320 0.067412 0.016549 -0.090629 0.114157 -0.017427 -0.000993 -0.045082 -0.035557 -0.016585 -0.044078 -0.012874 0.056952 12.830897 16.335196 -4.525578 -6.213534 9.323837 0.171251 12.833657 -0.000001 230 N 16.972335 11.498711 8.011870 -0.081483 38.265806 0.47035254E+03 0.11076659E+05 9.532420 6.969972 0.107033 2.060597 0.999710 26.746113 72.564179 0.671508 0.387320 -1.103320 -0.067412 -0.016550 -0.090629 0.114157 -0.017428 0.000995 0.045082 -0.035558 -0.016585 -0.044079 -0.012873 0.056952 12.830913 16.335223 -4.525556 6.213532 9.323853 -0.171220 12.833662 -0.000000 231 N 16.972335 7.050289 10.537130 -0.081480 38.265652 0.47035130E+03 0.11076621E+05 9.532396 6.969963 0.107038 2.060600 0.999710 26.746067 72.564000 0.671508 0.387320 -1.103320 -0.067414 0.016551 0.090628 0.114158 0.017426 -0.000993 0.045083 -0.035561 -0.016582 -0.044078 -0.012876 0.056954 12.830861 16.335154 4.525546 -6.213476 9.323819 -0.171209 12.833610 -0.000001 232 N 1.576665 11.498711 10.537130 -0.081478 38.265663 0.47034962E+03 0.11076570E+05 9.532392 6.969949 0.107048 2.060603 0.999710 26.746017 72.563798 0.671509 0.387320 -1.103320 0.067415 -0.016550 0.090628 0.114158 0.017425 0.000992 -0.045082 -0.035561 -0.016585 -0.044076 -0.012877 0.056953 12.830854 16.335088 4.525548 6.213487 9.323835 0.171225 12.833640 -0.000000 233 N 8.011870 1.576665 7.050289 -0.081480 38.265733 0.47035082E+03 0.11076606E+05 9.532403 6.969955 0.107044 2.060601 0.999710 26.746065 72.563966 0.671509 0.387319 -1.103320 -0.090629 0.067414 0.016549 0.114158 -0.000993 -0.045083 -0.017425 0.009487 0.061629 -0.044078 -0.012875 0.056953 12.830887 12.833659 -6.213534 0.171249 16.335179 -4.525561 9.323822 0.000001 234 N 8.011870 16.972335 11.498711 -0.081482 38.265778 0.47035263E+03 0.11076659E+05 9.532405 6.969966 0.107037 2.060598 0.999710 26.746120 72.564136 0.671509 0.387319 -1.103321 -0.090629 -0.067414 -0.016550 0.114158 0.000995 0.045083 -0.017427 0.009487 0.061631 -0.044079 -0.012874 0.056953 12.830884 12.833642 6.213515 -0.171214 16.335179 -4.525535 9.323830 0.000002 235 N 10.537130 16.972335 7.050289 -0.081482 38.265740 0.47035256E+03 0.11076657E+05 9.532406 6.969970 0.107036 2.060598 0.999710 26.746110 72.564125 0.671508 0.387320 -1.103320 0.090628 -0.067413 0.016550 0.114157 -0.000994 0.045084 0.017426 0.009488 0.061630 -0.044079 -0.012874 0.056954 12.830879 12.833629 -6.213493 -0.171216 16.335184 4.525551 9.323825 0.000001 236 N 10.537130 1.576665 11.498711 -0.081480 38.265701 0.47035030E+03 0.11076589E+05 9.532393 6.969950 0.107049 2.060603 0.999710 26.746042 72.563846 0.671510 0.387319 -1.103321 0.090629 0.067414 -0.016550 0.114158 0.000993 -0.045083 0.017426 0.009487 0.061631 -0.044078 -0.012875 0.056953 12.830853 12.833633 6.213486 0.171229 16.335090 4.525551 9.323837 0.000002 237 N 7.050289 8.011870 1.576665 -0.081480 38.265743 0.47035099E+03 0.11076611E+05 9.532405 6.969956 0.107049 2.060603 0.999710 26.746071 72.563986 0.671509 0.387319 -1.103320 0.016549 -0.090629 0.067414 0.114159 -0.045084 -0.017425 -0.000994 0.026071 -0.045045 -0.044078 -0.012875 0.056953 12.830890 9.323821 0.171249 -4.525559 12.833667 -6.213540 16.335183 0.000006 238 N 11.498711 8.011870 16.972335 -0.081482 38.265779 0.47035249E+03 0.11076656E+05 9.532410 6.969968 0.107035 2.060598 0.999710 26.746116 72.564153 0.671508 0.387320 -1.103320 -0.016550 -0.090629 -0.067413 0.114158 0.045083 -0.017426 0.000995 0.026072 -0.045048 -0.044078 -0.012874 0.056953 12.830893 9.323836 -0.171216 -4.525539 12.833650 6.213521 16.335191 0.000007 239 N 7.050289 10.537130 16.972335 -0.081482 38.265764 0.47035284E+03 0.11076666E+05 9.532412 6.969973 0.107038 2.060599 0.999710 26.746119 72.564169 0.671508 0.387320 -1.103320 0.016550 0.090629 -0.067413 0.114158 0.045083 0.017426 -0.000994 0.026071 -0.045047 -0.044079 -0.012875 0.056953 12.830889 9.323839 -0.171216 4.525562 12.833629 -6.213492 16.335199 0.000006 240 N 11.498711 10.537130 1.576665 -0.081480 38.265721 0.47035044E+03 0.11076594E+05 9.532400 6.969954 0.107045 2.060602 0.999710 26.746047 72.563894 0.671509 0.387320 -1.103320 -0.016550 0.090629 0.067414 0.114158 -0.045083 0.017425 0.000993 0.026072 -0.045045 -0.044078 -0.012875 0.056953 12.830868 9.323839 0.171233 4.525551 12.833654 6.213502 16.335110 0.000007 241 N 7.050289 1.576665 10.537130 -0.081479 38.265666 0.47035012E+03 0.11076585E+05 9.532393 6.969952 0.107046 2.060602 0.999710 26.746041 72.563885 0.671509 0.387320 -1.103320 0.016549 0.067414 0.090628 0.114158 -0.017425 0.045083 0.000993 0.035559 -0.016585 -0.044078 -0.012876 0.056953 12.830858 9.323815 -4.525548 -0.171236 16.335117 6.213500 12.833642 0.000002 242 N 11.498711 16.972335 10.537130 -0.081481 38.265720 0.47035202E+03 0.11076641E+05 9.532399 6.969965 0.107037 2.060598 0.999710 26.746096 72.564075 0.671509 0.387320 -1.103320 -0.016550 -0.067414 0.090629 0.114158 -0.017426 -0.045083 -0.000994 0.035560 -0.016583 -0.044078 -0.012875 0.056953 12.830863 9.323830 -4.525529 0.171203 16.335129 -6.213481 12.833630 0.000002 243 N 7.050289 16.972335 8.011870 -0.081483 38.265808 0.47035322E+03 0.11076678E+05 9.532420 6.969976 0.107036 2.060598 0.999710 26.746132 72.564218 0.671508 0.387320 -1.103320 0.016550 -0.067413 -0.090629 0.114157 0.017426 -0.045084 0.000995 0.035559 -0.016583 -0.044079 -0.012874 0.056953 12.830911 9.323841 4.525567 0.171227 16.335251 6.213526 12.833640 0.000002 244 N 11.498711 1.576665 8.011870 -0.081481 38.265767 0.47035100E+03 0.11076611E+05 9.532410 6.969959 0.107046 2.060602 0.999710 26.746063 72.563963 0.671509 0.387320 -1.103320 -0.016549 0.067413 -0.090629 0.114158 0.017425 0.045083 -0.000994 0.035558 -0.016585 -0.044078 -0.012874 0.056953 12.830890 9.323851 4.525567 -0.171244 16.335163 -6.213524 12.833656 0.000002 245 N 1.576665 8.011870 11.498711 -0.081480 38.265720 0.47035024E+03 0.11076589E+05 9.532404 6.969954 0.107048 2.060603 0.999710 26.746038 72.563889 0.671509 0.387320 -1.103320 0.067414 -0.090629 -0.016550 0.114158 -0.000993 0.017425 0.045082 -0.009487 0.061631 -0.044077 -0.012875 0.056952 12.830881 16.335150 -6.213512 4.525569 12.833641 -0.171239 9.323852 0.000000 246 N 16.972335 8.011870 7.050289 -0.081477 38.265537 0.47034925E+03 0.11076563E+05 9.532384 6.969953 0.107022 2.060596 0.999710 26.746009 72.563864 0.671508 0.387321 -1.103319 -0.067411 -0.090628 0.016549 0.114156 0.000994 0.017426 -0.045084 -0.009488 0.061632 -0.044079 -0.012875 0.056954 12.830854 16.335162 6.213489 4.525542 12.833594 0.171221 9.323806 0.000000 247 N 16.972335 10.537130 11.498711 -0.081480 38.265670 0.47035116E+03 0.11076617E+05 9.532393 6.969959 0.107039 2.060600 0.999710 26.746070 72.563998 0.671509 0.387320 -1.103320 -0.067414 0.090628 -0.016551 0.114158 -0.000994 -0.017426 -0.045082 -0.009488 0.061633 -0.044078 -0.012875 0.056953 12.830855 16.335120 -6.213472 -4.525533 12.833616 0.171201 9.323831 -0.000000 248 N 1.576665 10.537130 7.050289 -0.081473 38.265395 0.47034610E+03 0.11076469E+05 9.532356 6.969927 0.107032 2.060600 0.999710 26.745919 72.563528 0.671509 0.387320 -1.103320 0.067412 0.090628 0.016548 0.114156 0.000992 -0.017425 0.045084 -0.009488 0.061633 -0.044078 -0.012877 0.056954 12.830801 16.335032 6.213462 -4.525527 12.833590 -0.171232 9.323782 0.000000 249 N 8.011870 7.050289 16.972335 -0.081483 38.265847 0.47035373E+03 0.11076693E+05 9.532426 6.969980 0.107039 2.060598 0.999710 26.746148 72.564271 0.671508 0.387320 -1.103320 -0.090629 0.016550 -0.067413 0.114158 -0.045083 0.000994 0.017426 -0.026071 -0.045047 -0.044079 -0.012874 0.056953 12.830923 12.833659 0.171225 6.213538 9.323843 4.525567 16.335266 0.000006 250 N 8.011870 11.498711 1.576665 -0.081481 38.265819 0.47035163E+03 0.11076630E+05 9.532419 6.969963 0.107047 2.060602 0.999710 26.746084 72.564043 0.671508 0.387320 -1.103320 -0.090629 -0.016550 0.067414 0.114158 0.045083 -0.000993 0.017425 -0.026071 -0.045045 -0.044078 -0.012875 0.056952 12.830907 12.833676 -0.171246 -6.213537 9.323859 4.525574 16.335187 0.000006 251 N 10.537130 7.050289 1.576665 -0.081480 38.265704 0.47035050E+03 0.11076596E+05 9.532398 6.969953 0.107049 2.060603 0.999710 26.746056 72.563928 0.671509 0.387319 -1.103320 0.090628 0.016550 0.067414 0.114158 0.045083 0.000993 -0.017426 -0.026071 -0.045045 -0.044078 -0.012875 0.056953 12.830872 12.833650 -0.171242 6.213510 9.323824 -4.525560 16.335142 0.000006 252 N 10.537130 11.498711 16.972335 -0.081481 38.265758 0.47035236E+03 0.11076652E+05 9.532406 6.969967 0.107035 2.060598 0.999710 26.746109 72.564128 0.671509 0.387320 -1.103320 0.090629 -0.016550 -0.067413 0.114158 -0.045083 -0.000995 -0.017427 -0.026071 -0.045048 -0.044079 -0.012874 0.056953 12.830879 12.833651 0.171206 -6.213497 9.323834 -4.525533 16.335151 0.000006 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000007 The total net atomic charge of the unit cell is -0.000002 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= 824685 The rms potential error without charges in kcal/mol is= 5.36235 The rms potential error with partial charges in kcal/mol is= 1.15466 The RRMSE value at monopole order= 0.21533 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.15102 The RRMSE value at monopole order with cloud penetration is= 0.21465 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.49759 The RRMSE value at dipole order= 0.09279 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.50496 The RRMSE value at dipole order with cloud penetration= 0.09417 ****************************************************** 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.