632 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 14.214000 0.000000 0.000000 }, { 0.000000 21.157000 0.000000 }, { 0.000000 0.000000 24.013000 }] Cu 12.363764 9.610567 0.846218 0.742773 Cu 13.213050 16.970453 4.270712 0.865644 Cu 5.256764 0.967933 11.160282 0.742774 Cu 6.106050 14.765047 7.735788 0.865629 Cu 8.957236 11.546433 0.846218 0.742773 Cu 8.107950 4.186547 4.270712 0.865645 Cu 1.850236 20.189067 11.160282 0.742774 Cu 1.000950 6.391953 7.735788 0.865696 Cu 1.850236 11.546433 23.166782 0.742774 Cu 1.000950 4.186547 19.742288 0.865640 Cu 8.957236 20.189067 12.852718 0.742774 Cu 8.107950 6.391953 16.277212 0.865755 Cu 5.256764 9.610567 23.166782 0.742773 Cu 6.106050 16.970453 19.742288 0.865704 Cu 12.363764 0.967933 12.852718 0.742773 Cu 13.213050 14.765047 16.277212 0.865619 H 12.390344 11.913507 2.927185 0.108219 H 12.626296 12.093341 5.246841 0.126518 H 12.691681 10.155360 6.505122 0.111548 H 12.535327 8.081974 5.472563 0.133882 H 12.292267 6.156687 4.233492 0.143451 H 12.214090 4.789945 0.477859 0.142602 H 12.413086 5.486010 22.214426 0.134486 H 12.600711 6.421149 20.151710 0.119767 H 12.420193 8.718800 19.918784 0.119907 H 12.251047 9.971294 21.698147 0.094812 H 11.637002 4.195433 4.805001 0.117330 H 12.950375 2.906972 1.299103 0.118386 H 11.685329 2.071270 5.597430 0.120465 H 12.947533 0.784925 2.079526 0.132807 H 12.631982 19.807183 2.831133 0.132695 H 12.516848 19.022259 6.615582 0.107606 H 12.481313 13.974198 1.371142 0.122527 H 12.857984 13.534133 21.429201 0.110040 H 12.535327 15.806395 21.124236 0.106457 H 12.394608 17.209104 23.040474 0.114093 H 13.663918 12.981935 7.573700 0.096663 H 10.310836 15.038396 6.872521 0.117750 H 12.560912 11.761176 9.228196 0.107247 H 10.325050 12.114498 9.607601 0.115136 H 5.283344 19.821993 9.079315 0.108219 H 5.519296 19.642159 6.759660 0.126517 H 5.584681 0.423140 5.501378 0.111548 H 5.428327 2.496526 6.533937 0.133882 H 5.185267 4.421813 7.773008 0.143451 H 5.107090 5.788555 11.528641 0.142601 H 5.306086 5.092490 13.805074 0.134486 H 5.493711 4.157351 15.867790 0.119767 H 5.313193 1.859700 16.100717 0.119907 H 5.144047 0.607206 14.321353 0.094812 H 4.530002 6.383067 7.201499 0.117330 H 5.843375 7.671528 10.707397 0.118386 H 4.578329 8.507230 6.409070 0.120466 H 5.840533 9.793575 9.926974 0.132806 H 5.524982 11.928317 9.175367 0.132694 H 5.409848 12.713241 5.390919 0.107606 H 5.374313 17.761301 10.635358 0.122526 H 5.750984 18.201367 14.590299 0.110040 H 5.428327 15.929105 14.895264 0.106457 H 5.287608 14.526396 12.979027 0.114093 H 6.556918 18.753565 4.432800 0.096664 H 3.203836 16.697104 5.133979 0.117751 H 5.453912 19.974324 2.778304 0.107247 H 3.218050 19.621002 2.398899 0.115136 H 8.930656 9.243493 2.927185 0.108218 H 8.694704 9.063659 5.246841 0.126517 H 8.629319 11.001640 6.505122 0.111548 H 8.785673 13.075026 5.472563 0.133883 H 9.028733 15.000313 4.233492 0.143452 H 9.106910 16.367055 0.477859 0.142601 H 8.907914 15.670990 22.214426 0.134486 H 8.720289 14.735851 20.151710 0.119767 H 8.900807 12.438200 19.918784 0.119907 H 9.069953 11.185706 21.698147 0.094812 H 9.683998 16.961567 4.805001 0.117330 H 8.370625 18.250028 1.299103 0.118385 H 9.635671 19.085730 5.597430 0.120464 H 8.373467 20.372075 2.079526 0.132805 H 8.689018 1.349817 2.831133 0.132695 H 8.804152 2.134741 6.615582 0.107606 H 8.839687 7.182802 1.371142 0.122526 H 8.463016 7.622867 21.429201 0.110040 H 8.785673 5.350605 21.124236 0.106457 H 8.926392 3.947896 23.040474 0.114092 H 7.657082 8.175065 7.573700 0.096662 H 11.010164 6.118604 6.872521 0.117749 H 8.760088 9.395824 9.228196 0.107247 H 10.995950 9.042502 9.607601 0.115136 H 1.823656 1.335007 9.079315 0.108218 H 1.587704 1.514841 6.759660 0.126516 H 1.522319 20.733860 5.501378 0.111548 H 1.678673 18.660474 6.533937 0.133883 H 1.921733 16.735187 7.773008 0.143452 H 1.999910 15.368445 11.528641 0.142601 H 1.800914 16.064510 13.805074 0.134486 H 1.613289 16.999650 15.867790 0.119766 H 1.793807 19.297300 16.100717 0.119907 H 1.962953 20.549794 14.321353 0.094812 H 2.576998 14.773933 7.201499 0.117330 H 1.263625 13.485472 10.707397 0.118385 H 2.528671 12.649770 6.409070 0.120465 H 1.266467 11.363425 9.926974 0.132805 H 1.582018 9.228683 9.175367 0.132694 H 1.697152 8.443759 5.390919 0.107605 H 1.732687 3.395699 10.635358 0.122527 H 1.356016 2.955633 14.590299 0.110041 H 1.678673 5.227895 14.895264 0.106458 H 1.819392 6.630604 12.979027 0.114093 H 0.550082 2.403435 4.432800 0.096663 H 3.903164 4.459896 5.133979 0.117750 H 1.653088 1.182676 2.778304 0.107247 H 3.888950 1.535998 2.398899 0.115136 H 1.823656 9.243493 21.085815 0.108219 H 1.587704 9.063659 18.766160 0.126518 H 1.522319 11.001640 17.507878 0.111548 H 1.678673 13.075026 18.540437 0.133882 H 1.921733 15.000313 19.779508 0.143451 H 1.999910 16.367055 23.535141 0.142601 H 1.800914 15.670990 1.798574 0.134486 H 1.613289 14.735851 3.861290 0.119766 H 1.793807 12.438200 4.094217 0.119906 H 1.962953 11.185706 2.314853 0.094812 H 2.576998 16.961567 19.207999 0.117330 H 1.263625 18.250028 22.713897 0.118386 H 2.528671 19.085730 18.415570 0.120465 H 1.266467 20.372075 21.933474 0.132806 H 1.582018 1.349817 21.181867 0.132694 H 1.697152 2.134741 17.397419 0.107605 H 1.732687 7.182802 22.641858 0.122527 H 1.356016 7.622867 2.583799 0.110040 H 1.678673 5.350605 2.888764 0.106457 H 1.819392 3.947896 0.972527 0.114093 H 0.550082 8.175065 16.439300 0.096664 H 3.903164 6.118604 17.140479 0.117751 H 1.653088 9.395824 14.784804 0.107247 H 3.888950 9.042502 14.405399 0.115136 H 8.930656 1.335007 14.933685 0.108218 H 8.694704 1.514841 17.253341 0.126517 H 8.629319 20.733860 18.511622 0.111548 H 8.785673 18.660474 17.479063 0.133882 H 9.028733 16.735187 16.239992 0.143452 H 9.106910 15.368445 12.484359 0.142601 H 8.907914 16.064510 10.207926 0.134486 H 8.720289 16.999650 8.145210 0.119767 H 8.900807 19.297300 7.912284 0.119906 H 9.069953 20.549794 9.691647 0.094812 H 9.683998 14.773933 16.811501 0.117330 H 8.370625 13.485472 13.305603 0.118385 H 9.635671 12.649770 17.603930 0.120465 H 8.373467 11.363425 14.086026 0.132806 H 8.689018 9.228683 14.837633 0.132695 H 8.804152 8.443759 18.622082 0.107606 H 8.839687 3.395699 13.377642 0.122527 H 8.463016 2.955633 9.422701 0.110040 H 8.785673 5.227895 9.117736 0.106457 H 8.926392 6.630604 11.033974 0.114093 H 7.657082 2.403435 19.580200 0.096664 H 11.010164 4.459896 18.879021 0.117750 H 8.760088 1.182676 21.234696 0.107247 H 10.995950 1.535998 21.614101 0.115137 H 5.283344 11.913507 21.085815 0.108218 H 5.519296 12.093341 18.766160 0.126517 H 5.584681 10.155360 17.507878 0.111548 H 5.428327 8.081974 18.540437 0.133883 H 5.185267 6.156687 19.779508 0.143452 H 5.107090 4.789945 23.535141 0.142601 H 5.306086 5.486010 1.798574 0.134486 H 5.493711 6.421149 3.861290 0.119766 H 5.313193 8.718800 4.094217 0.119907 H 5.144047 9.971294 2.314853 0.094812 H 4.530002 4.195433 19.207999 0.117331 H 5.843375 2.906972 22.713897 0.118385 H 4.578329 2.071270 18.415570 0.120465 H 5.840533 0.784925 21.933474 0.132805 H 5.524982 19.807183 21.181867 0.132694 H 5.409848 19.022259 17.397419 0.107606 H 5.374313 13.974198 22.641858 0.122526 H 5.750984 13.534133 2.583799 0.110040 H 5.428327 15.806395 2.888764 0.106457 H 5.287608 17.209104 0.972527 0.114093 H 6.556918 12.981935 16.439300 0.096663 H 3.203836 15.038396 17.140479 0.117750 H 5.453912 11.761176 14.784804 0.107247 H 3.218050 12.114498 14.405399 0.115136 H 12.390344 19.821993 14.933685 0.108218 H 12.626296 19.642159 17.253341 0.126517 H 12.691681 0.423140 18.511622 0.111549 H 12.535327 2.496526 17.479063 0.133883 H 12.292267 4.421813 16.239992 0.143453 H 12.214090 5.788555 12.484359 0.142601 H 12.413086 5.092490 10.207926 0.134486 H 12.600711 4.157351 8.145210 0.119766 H 12.420193 1.859700 7.912284 0.119906 H 12.251047 0.607206 9.691647 0.094812 H 11.637002 6.383067 16.811501 0.117330 H 12.950375 7.671528 13.305603 0.118385 H 11.685329 8.507230 17.603930 0.120465 H 12.947533 9.793575 14.086026 0.132805 H 12.631982 11.928317 14.837633 0.132694 H 12.516848 12.713241 18.622082 0.107606 H 12.481313 17.761301 13.377642 0.122526 H 12.857984 18.201367 9.422701 0.110040 H 12.535327 15.929105 9.117736 0.106458 H 12.394608 14.526396 11.033974 0.114093 H 13.663918 18.753565 19.580200 0.096663 H 10.310836 16.697104 18.879021 0.117749 H 12.560912 19.974324 21.234696 0.107247 H 10.325050 19.621002 21.614101 0.115135 C 12.418772 11.141276 3.445866 0.102008 C 12.559490 11.259755 4.838620 -0.113354 C 12.597868 10.104583 5.583023 -0.014031 C 12.495527 8.862667 4.970691 -0.154987 C 12.334909 8.818238 3.611555 0.164030 C 12.290846 7.605941 2.811922 0.198523 C 12.282317 6.294207 3.313794 -0.197108 C 12.258154 5.200391 2.463734 0.147761 C 12.243940 5.488126 1.090190 -0.193318 C 12.273789 6.810438 0.629141 0.201799 C 12.299374 7.250504 23.258992 0.171411 C 12.403136 6.410571 22.115973 -0.146789 C 12.486999 6.958537 20.900915 0.016195 C 12.403136 8.325280 20.761640 -0.114440 C 12.300796 9.048849 21.818212 0.103844 C 12.243940 3.804029 2.936790 0.063579 C 11.899961 3.505715 4.238295 -0.087779 C 12.667517 2.746179 2.168374 -0.082483 C 11.932653 2.238411 4.718555 -0.158306 C 12.685995 1.480990 2.636627 -0.170253 C 12.320695 1.227106 3.928527 0.160207 C 12.576547 19.900274 3.753232 0.107298 C 12.501213 19.496175 5.815949 0.146861 C 12.866513 12.082763 23.614384 0.589700 C 12.677467 13.534133 23.455898 -0.014907 C 12.526798 14.342330 0.518681 -0.153950 C 12.722951 14.086331 22.163999 -0.128165 C 12.566597 15.442494 21.981500 -0.091219 C 12.455728 16.286659 23.141328 -0.112600 C 12.438671 15.740808 0.352991 -0.012216 C 12.390344 16.629402 1.604068 0.569877 C 12.852299 15.032049 6.077690 0.579587 C 12.118856 14.166727 7.059822 -0.025270 C 12.769858 13.159654 7.756199 -0.122383 C 10.767105 14.363487 7.319162 -0.156557 C 12.100378 12.402233 8.738331 -0.093192 C 10.771369 12.613803 8.961652 -0.108780 C 10.081990 13.567984 8.234058 -0.018570 C 8.599470 13.804942 8.442971 0.565186 C 5.311772 20.594224 8.560635 0.102008 C 5.452490 20.475745 7.167881 -0.113354 C 5.490868 0.473917 6.423478 -0.014032 C 5.388527 1.715833 7.035809 -0.154988 C 5.227909 1.760262 8.394945 0.164030 C 5.183846 2.972558 9.194578 0.198522 C 5.175317 4.284293 8.692706 -0.197108 C 5.151154 5.378109 9.542766 0.147761 C 5.136940 5.090374 10.916310 -0.193319 C 5.166789 3.768062 11.377359 0.201799 C 5.192374 3.327996 12.760508 0.171412 C 5.296136 4.167929 13.903527 -0.146790 C 5.379999 3.619963 15.118585 0.016196 C 5.296136 2.253221 15.257860 -0.114439 C 5.193796 1.529651 14.201288 0.103844 C 5.136940 6.774471 9.069710 0.063578 C 4.792961 7.072785 7.768206 -0.087778 C 5.560517 7.832321 9.838126 -0.082484 C 4.825653 8.340089 7.287946 -0.158305 C 5.578995 9.097510 9.369873 -0.170253 C 5.213695 9.351394 8.077973 0.160209 C 5.469547 11.835226 8.253268 0.107296 C 5.394213 12.239324 6.190551 0.146858 C 5.759513 19.652737 12.405116 0.589700 C 5.570467 18.201367 12.563602 -0.014906 C 5.419798 17.393170 11.487819 -0.153950 C 5.615951 17.649169 13.855501 -0.128164 C 5.459597 16.293006 14.038000 -0.091219 C 5.348728 15.448841 12.878172 -0.112600 C 5.331671 15.994692 11.653509 -0.012216 C 5.283344 15.106098 10.402432 0.569876 C 5.745299 16.703451 5.928810 0.579584 C 5.011856 17.568773 4.946678 -0.025271 C 5.662858 18.575846 4.250301 -0.122383 C 3.660105 17.372013 4.687338 -0.156558 C 4.993378 19.333267 3.268169 -0.093192 C 3.664369 19.121697 3.044848 -0.108780 C 2.974990 18.167516 3.772442 -0.018572 C 1.492470 17.930558 3.563529 0.565188 C 8.902228 10.015724 3.445866 0.102007 C 8.761510 9.897245 4.838620 -0.113356 C 8.723132 11.052417 5.583023 -0.014031 C 8.825473 12.294333 4.970691 -0.154986 C 8.986091 12.338762 3.611555 0.164030 C 9.030154 13.551058 2.811922 0.198522 C 9.038683 14.862792 3.313794 -0.197105 C 9.062846 15.956609 2.463734 0.147762 C 9.077060 15.668874 1.090190 -0.193317 C 9.047211 14.346562 0.629141 0.201798 C 9.021626 13.906496 23.258992 0.171413 C 8.917864 14.746429 22.115973 -0.146789 C 8.834001 14.198463 20.900915 0.016195 C 8.917864 12.831720 20.761640 -0.114441 C 9.020204 12.108151 21.818212 0.103844 C 9.077060 17.352971 2.936790 0.063580 C 9.421039 17.651285 4.238295 -0.087777 C 8.653483 18.410821 2.168374 -0.082484 C 9.388347 18.918589 4.718555 -0.158306 C 8.635005 19.676010 2.636627 -0.170255 C 9.000305 19.929894 3.928527 0.160206 C 8.744453 1.256726 3.753232 0.107295 C 8.819787 1.660825 5.815949 0.146857 C 8.454487 9.074237 23.614384 0.589700 C 8.643533 7.622867 23.455898 -0.014906 C 8.794202 6.814670 0.518681 -0.153951 C 8.598049 7.070669 22.163999 -0.128163 C 8.754403 5.714506 21.981500 -0.091218 C 8.865272 4.870341 23.141328 -0.112600 C 8.882329 5.416192 0.352991 -0.012218 C 8.930656 4.527598 1.604068 0.569879 C 8.468701 6.124951 6.077690 0.579584 C 9.202144 6.990273 7.059822 -0.025273 C 8.551142 7.997346 7.756199 -0.122384 C 10.553895 6.793513 7.319162 -0.156558 C 9.220622 8.754767 8.738331 -0.093191 C 10.549631 8.543197 8.961652 -0.108779 C 11.239010 7.589016 8.234058 -0.018568 C 12.721530 7.352057 8.442971 0.565189 C 1.795228 0.562776 8.560635 0.102007 C 1.654510 0.681255 7.167881 -0.113356 C 1.616132 20.683083 6.423478 -0.014032 C 1.718473 19.441167 7.035809 -0.154986 C 1.879091 19.396738 8.394945 0.164031 C 1.923154 18.184441 9.194578 0.198522 C 1.931683 16.872708 8.692706 -0.197106 C 1.955846 15.778891 9.542766 0.147762 C 1.970060 16.066626 10.916310 -0.193317 C 1.940211 17.388938 11.377359 0.201798 C 1.914626 17.829004 12.760508 0.171413 C 1.810864 16.989071 13.903527 -0.146789 C 1.727001 17.537037 15.118585 0.016194 C 1.810864 18.903779 15.257860 -0.114440 C 1.913204 19.627349 14.201288 0.103844 C 1.970060 14.382529 9.069710 0.063579 C 2.314039 14.084215 7.768206 -0.087777 C 1.546483 13.324679 9.838126 -0.082485 C 2.281347 12.816911 7.287946 -0.158305 C 1.528005 12.059490 9.369873 -0.170254 C 1.893305 11.805606 8.077973 0.160208 C 1.637453 9.321774 8.253268 0.107295 C 1.712787 8.917675 6.190551 0.146855 C 1.347487 1.504263 12.405116 0.589699 C 1.536533 2.955633 12.563602 -0.014904 C 1.687202 3.763830 11.487819 -0.153952 C 1.491049 3.507831 13.855501 -0.128162 C 1.647403 4.863994 14.038000 -0.091216 C 1.758272 5.708159 12.878172 -0.112600 C 1.775329 5.162308 11.653509 -0.012217 C 1.823656 6.050902 10.402432 0.569874 C 1.361701 4.453549 5.928810 0.579585 C 2.095144 3.588227 4.946678 -0.025272 C 1.444142 2.581154 4.250301 -0.122382 C 3.446895 3.784987 4.687338 -0.156557 C 2.113622 1.823733 3.268169 -0.093190 C 3.442631 2.035303 3.044848 -0.108778 C 4.132010 2.989484 3.772442 -0.018571 C 5.614530 3.226443 3.563529 0.565188 C 1.795228 10.015724 20.567135 0.102008 C 1.654510 9.897245 19.174381 -0.113354 C 1.616132 11.052417 18.429978 -0.014031 C 1.718473 12.294333 19.042309 -0.154987 C 1.879091 12.338762 20.401445 0.164030 C 1.923154 13.551058 21.201078 0.198523 C 1.931683 14.862792 20.699206 -0.197107 C 1.955846 15.956609 21.549266 0.147762 C 1.970060 15.668874 22.922810 -0.193319 C 1.940211 14.346562 23.383859 0.201798 C 1.914626 13.906496 0.754008 0.171412 C 1.810864 14.746429 1.897027 -0.146789 C 1.727001 14.198463 3.112085 0.016195 C 1.810864 12.831720 3.251360 -0.114440 C 1.913204 12.108151 2.194788 0.103844 C 1.970060 17.352971 21.076210 0.063578 C 2.314039 17.651285 19.774706 -0.087776 C 1.546483 18.410821 21.844626 -0.082485 C 2.281347 18.918589 19.294446 -0.158305 C 1.528005 19.676010 21.376373 -0.170254 C 1.893305 19.929894 20.084473 0.160208 C 1.637453 1.256726 20.259768 0.107296 C 1.712787 1.660825 18.197051 0.146857 C 1.347487 9.074237 0.398616 0.589700 C 1.536533 7.622867 0.557102 -0.014906 C 1.687202 6.814670 23.494319 -0.153950 C 1.491049 7.070669 1.849001 -0.128165 C 1.647403 5.714506 2.031500 -0.091220 C 1.758272 4.870341 0.871672 -0.112601 C 1.775329 5.416192 23.660009 -0.012216 C 1.823656 4.527598 22.408932 0.569874 C 1.361701 6.124951 17.935310 0.579585 C 2.095144 6.990273 16.953178 -0.025270 C 1.444142 7.997346 16.256801 -0.122383 C 3.446895 6.793513 16.693838 -0.156557 C 2.113622 8.754767 15.274669 -0.093192 C 3.442631 8.543197 15.051348 -0.108782 C 4.132010 7.589016 15.778942 -0.018571 C 5.614530 7.352057 15.570029 0.565190 C 8.902228 0.562776 15.452366 0.102007 C 8.761510 0.681255 16.845120 -0.113355 C 8.723132 20.683083 17.589523 -0.014031 C 8.825473 19.441167 16.977191 -0.154986 C 8.986091 19.396738 15.618055 0.164030 C 9.030154 18.184441 14.818422 0.198523 C 9.038683 16.872708 15.320294 -0.197106 C 9.062846 15.778891 14.470234 0.147761 C 9.077060 16.066626 13.096690 -0.193319 C 9.047211 17.388938 12.635641 0.201797 C 9.021626 17.829004 11.252492 0.171413 C 8.917864 16.989071 10.109473 -0.146790 C 8.834001 17.537037 8.894415 0.016195 C 8.917864 18.903779 8.755140 -0.114441 C 9.020204 19.627349 9.811712 0.103844 C 9.077060 14.382529 14.943290 0.063579 C 9.421039 14.084215 16.244795 -0.087775 C 8.653483 13.324679 14.174874 -0.082485 C 9.388347 12.816911 16.725055 -0.158305 C 8.635005 12.059490 14.643127 -0.170254 C 9.000305 11.805606 15.935027 0.160208 C 8.744453 9.321774 15.759732 0.107297 C 8.819787 8.917675 17.822449 0.146859 C 8.454487 1.504263 11.607884 0.589699 C 8.643533 2.955633 11.449398 -0.014906 C 8.794202 3.763830 12.525181 -0.153950 C 8.598049 3.507831 10.157499 -0.128166 C 8.754403 4.863994 9.975000 -0.091220 C 8.865272 5.708159 11.134828 -0.112600 C 8.882329 5.162308 12.359491 -0.012215 C 8.930656 6.050902 13.610568 0.569873 C 8.468701 4.453549 18.084190 0.579584 C 9.202144 3.588227 19.066322 -0.025273 C 8.551142 2.581154 19.762699 -0.122383 C 10.553895 3.784987 19.325662 -0.156559 C 9.220622 1.823733 20.744831 -0.093191 C 10.549631 2.035303 20.968152 -0.108780 C 11.239010 2.989484 20.240558 -0.018569 C 12.721530 3.226443 20.449471 0.565187 C 5.311772 11.141276 20.567135 0.102007 C 5.452490 11.259755 19.174381 -0.113356 C 5.490868 10.104583 18.429978 -0.014032 C 5.388527 8.862667 19.042309 -0.154986 C 5.227909 8.818238 20.401445 0.164030 C 5.183846 7.605941 21.201078 0.198523 C 5.175317 6.294207 20.699206 -0.197104 C 5.151154 5.200391 21.549266 0.147763 C 5.136940 5.488126 22.922810 -0.193318 C 5.166789 6.810438 23.383859 0.201797 C 5.192374 7.250504 0.754008 0.171414 C 5.296136 6.410571 1.897027 -0.146790 C 5.379999 6.958537 3.112085 0.016193 C 5.296136 8.325280 3.251360 -0.114441 C 5.193796 9.048849 2.194788 0.103845 C 5.136940 3.804029 21.076210 0.063578 C 4.792961 3.505715 19.774706 -0.087775 C 5.560517 2.746179 21.844626 -0.082485 C 4.825653 2.238411 19.294446 -0.158306 C 5.578995 1.480990 21.376373 -0.170255 C 5.213695 1.227106 20.084473 0.160209 C 5.469547 19.900274 20.259768 0.107294 C 5.394213 19.496175 18.197051 0.146854 C 5.759513 12.082763 0.398616 0.589700 C 5.570467 13.534133 0.557102 -0.014905 C 5.419798 14.342330 23.494319 -0.153951 C 5.615951 14.086331 1.849001 -0.128164 C 5.459597 15.442494 2.031500 -0.091218 C 5.348728 16.286659 0.871672 -0.112601 C 5.331671 15.740808 23.660009 -0.012217 C 5.283344 16.629402 22.408932 0.569873 C 5.745299 15.032049 17.935310 0.579583 C 5.011856 14.166727 16.953178 -0.025272 C 5.662858 13.159654 16.256801 -0.122382 C 3.660105 14.363487 16.693838 -0.156559 C 4.993378 12.402233 15.274669 -0.093190 C 3.664369 12.613803 15.051348 -0.108779 C 2.974990 13.567984 15.778942 -0.018570 C 1.492470 13.804942 15.570029 0.565185 C 12.418772 20.594224 15.452366 0.102007 C 12.559490 20.475745 16.845120 -0.113355 C 12.597868 0.473917 17.589523 -0.014031 C 12.495527 1.715833 16.977191 -0.154985 C 12.334909 1.760262 15.618055 0.164030 C 12.290846 2.972558 14.818422 0.198523 C 12.282317 4.284293 15.320294 -0.197105 C 12.258154 5.378109 14.470234 0.147763 C 12.243940 5.090374 13.096690 -0.193319 C 12.273789 3.768062 12.635641 0.201797 C 12.299374 3.327996 11.252492 0.171413 C 12.403136 4.167929 10.109473 -0.146790 C 12.486999 3.619963 8.894415 0.016193 C 12.403136 2.253221 8.755140 -0.114441 C 12.300796 1.529651 9.811712 0.103845 C 12.243940 6.774471 14.943290 0.063578 C 11.899961 7.072785 16.244795 -0.087777 C 12.667517 7.832321 14.174874 -0.082485 C 11.932653 8.340089 16.725055 -0.158305 C 12.685995 9.097510 14.643127 -0.170254 C 12.320695 9.351394 15.935027 0.160209 C 12.576547 11.835226 15.759732 0.107293 C 12.501213 12.239324 17.822449 0.146854 C 12.866513 19.652737 11.607884 0.589700 C 12.677467 18.201367 11.449398 -0.014905 C 12.526798 17.393170 12.525181 -0.153951 C 12.722951 17.649169 10.157499 -0.128164 C 12.566597 16.293006 9.975000 -0.091218 C 12.455728 15.448841 11.134828 -0.112602 C 12.438671 15.994692 12.359491 -0.012219 C 12.390344 15.106098 13.610568 0.569873 C 12.852299 16.703451 18.084190 0.579585 C 12.118856 17.568773 19.066322 -0.025276 C 12.769858 18.575846 19.762699 -0.122384 C 10.767105 17.372013 19.325662 -0.156558 C 12.100378 19.333267 20.744831 -0.093191 C 10.771369 19.121697 20.968152 -0.108780 C 10.081990 18.167516 20.240558 -0.018568 C 8.599470 17.930558 20.449471 0.565189 N 12.320695 9.933211 2.835935 -0.243407 N 12.259575 7.792123 1.496010 -0.298950 N 12.259575 8.593973 23.090901 -0.264777 N 12.408822 21.053331 4.425596 0.126456 N 12.327802 20.790984 5.767923 -0.276053 N 12.650460 18.918589 4.651318 -0.319858 N 5.213695 0.645288 9.170565 -0.243407 N 5.152575 2.786377 10.510490 -0.298951 N 5.152575 1.984527 12.928599 -0.264777 N 5.301822 10.682169 7.580904 0.126456 N 5.220802 10.944516 6.238577 -0.276050 N 5.543460 12.816911 7.355182 -0.319840 N 9.000305 11.223788 2.835935 -0.243407 N 9.061425 13.364877 1.496010 -0.298951 N 9.061425 12.563027 23.090901 -0.264776 N 8.912178 0.103669 4.425596 0.126458 N 8.993198 0.366016 5.767923 -0.276047 N 8.670540 2.238411 4.651318 -0.319849 N 1.893305 20.511712 9.170565 -0.243407 N 1.954425 18.370623 10.510490 -0.298951 N 1.954425 19.172473 12.928599 -0.264777 N 1.805178 10.474831 7.580904 0.126457 N 1.886198 10.212484 6.238577 -0.276046 N 1.563540 8.340089 7.355182 -0.319840 N 1.893305 11.223788 21.177065 -0.243407 N 1.954425 13.364877 22.516990 -0.298950 N 1.954425 12.563027 0.922099 -0.264778 N 1.805178 0.103669 19.587404 0.126455 N 1.886198 0.366016 18.245077 -0.276052 N 1.563540 2.238411 19.361682 -0.319841 N 9.000305 20.511712 14.842435 -0.243407 N 9.061425 18.370623 13.502510 -0.298950 N 9.061425 19.172473 11.084401 -0.264778 N 8.912178 10.474831 16.432096 0.126458 N 8.993198 10.212484 17.774423 -0.276049 N 8.670540 8.340089 16.657818 -0.319854 N 5.213695 9.933211 21.177065 -0.243406 N 5.152575 7.792123 22.516990 -0.298951 N 5.152575 8.593973 0.922099 -0.264776 N 5.301822 21.053331 19.587404 0.126457 N 5.220802 20.790984 18.245077 -0.276049 N 5.543460 18.918589 19.361682 -0.319833 N 12.320695 0.645288 14.842435 -0.243407 N 12.259575 2.786377 13.502510 -0.298951 N 12.259575 1.984527 11.084401 -0.264777 N 12.408822 10.682169 16.432096 0.126456 N 12.327802 10.944516 17.774423 -0.276049 N 12.650460 12.816911 16.657818 -0.319829 O 12.084743 11.467094 0.401017 -0.557684 O 13.717931 11.500945 22.874784 -0.603494 O 12.657567 16.051816 2.689456 -0.582899 O 12.107485 17.833235 1.476800 -0.573285 O 12.327802 16.130097 5.796738 -0.578887 O 13.807480 14.534859 5.491773 -0.555420 O 8.042281 14.517933 7.542483 -0.587878 O 8.029489 13.314100 9.393886 -0.563928 O 4.977743 20.268406 11.605483 -0.557685 O 6.610931 20.234555 13.144716 -0.603494 O 5.550567 15.683684 9.317044 -0.582900 O 5.000485 13.902265 10.529701 -0.573282 O 5.220802 15.605403 6.209762 -0.578877 O 6.700480 17.200641 6.514727 -0.555414 O 0.935281 17.217567 4.464017 -0.587893 O 0.922489 18.421400 2.612614 -0.563930 O 9.236257 9.689906 0.401017 -0.557685 O 7.603069 9.656055 22.874784 -0.603494 O 8.663433 5.105184 2.689456 -0.582917 O 9.213515 3.323765 1.476800 -0.573288 O 8.993198 5.026903 5.796738 -0.578878 O 7.513520 6.622141 5.491773 -0.555418 O 13.278719 6.639067 7.542483 -0.587898 O 13.291511 7.842900 9.393886 -0.563935 O 2.129257 0.888594 11.605483 -0.557685 O 0.496069 0.922445 13.144716 -0.603493 O 1.556433 5.473316 9.317044 -0.582883 O 2.106515 7.254735 10.529701 -0.573281 O 1.886198 5.551597 6.209762 -0.578876 O 0.406520 3.956359 6.514727 -0.555410 O 6.171719 3.939433 4.464017 -0.587890 O 6.184511 2.735600 2.612614 -0.563929 O 2.129257 9.689906 23.611983 -0.557684 O 0.496069 9.656055 1.138216 -0.603495 O 1.556433 5.105184 21.323544 -0.582889 O 2.106515 3.323765 22.536201 -0.573281 O 1.886198 5.026903 18.216262 -0.578875 O 0.406520 6.622141 18.521227 -0.555413 O 6.171719 6.639067 16.470517 -0.587879 O 6.184511 7.842900 14.619114 -0.563934 O 9.236257 0.888594 12.407517 -0.557684 O 7.603069 0.922445 10.868284 -0.603495 O 8.663433 5.473316 14.695956 -0.582893 O 9.213515 7.254735 13.483300 -0.573278 O 8.993198 5.551597 17.803238 -0.578888 O 7.513520 3.956359 17.498273 -0.555412 O 13.278719 3.939433 19.548983 -0.587867 O 13.291511 2.735600 21.400386 -0.563934 O 4.977743 11.467094 23.611983 -0.557683 O 6.610931 11.500945 1.138216 -0.603495 O 5.550567 16.051816 21.323544 -0.582888 O 5.000485 17.833235 22.536201 -0.573278 O 5.220802 16.130097 18.216262 -0.578875 O 6.700480 14.534859 18.521227 -0.555406 O 0.935281 14.517933 16.470517 -0.587860 O 0.922489 13.314100 14.619114 -0.563934 O 12.084743 20.268406 12.407517 -0.557683 O 13.717931 20.234555 10.868284 -0.603496 O 12.657567 15.683684 14.695956 -0.582884 O 12.107485 13.902265 13.483300 -0.573280 O 12.327802 15.605403 17.803238 -0.578890 O 13.807480 17.200641 17.498273 -0.555408 O 8.042281 17.217567 19.548983 -0.587868 O 8.029489 18.421400 21.400386 -0.563936 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cu 12.363764 9.610567 0.846218 0.742773 62.258957 0.12079583E+04 0.34221713E+05 13.403030 11.902518 1.042919 2.235226 0.994068 43.138864 108.676201 0.491586 0.439802 -1.124727 0.050756 0.089804 -0.021949 0.105465 -0.002973 0.008899 -0.019829 -0.023140 -0.139885 -0.052202 0.011891 0.040312 14.390170 10.440554 0.200058 -0.129817 18.312838 -1.249318 14.417119 0.735356 2 Cu 13.213050 16.970453 4.270712 0.865644 57.829807 0.10682846E+04 0.29321675E+05 12.911715 11.296080 1.096595 2.273178 0.996782 40.736431 100.703837 0.498201 0.447919 -1.120646 0.029550 -0.074651 -0.004472 0.080412 0.037689 -0.018535 0.005898 0.014561 0.034138 -0.048632 0.011083 0.037549 14.442135 14.370082 2.225462 0.284553 15.098408 2.304122 13.857914 0.747457 3 Cu 5.256764 0.967933 11.160282 0.742774 62.258903 0.12079572E+04 0.34221670E+05 13.403018 11.902508 1.042925 2.235228 0.994068 43.138858 108.676143 0.491586 0.439801 -1.124728 0.050756 -0.089804 0.021949 0.105465 0.002973 -0.008900 -0.019829 -0.023141 -0.139883 -0.052202 0.011890 0.040312 14.390156 10.440546 -0.200056 0.129816 18.312819 -1.249314 14.417102 0.735356 4 Cu 6.106050 14.765047 7.735788 0.865629 57.830390 0.10682996E+04 0.29322220E+05 12.911876 11.296223 1.096491 2.273144 0.996782 40.736502 100.704631 0.498193 0.447924 -1.120641 0.029554 0.074657 0.004483 0.080419 -0.037681 0.018544 0.005891 0.014539 0.034108 -0.048619 0.011069 0.037550 14.442314 14.370258 -2.225492 -0.284565 15.098591 2.304164 13.858091 0.747485 5 Cu 8.957236 11.546433 0.846218 0.742773 62.258954 0.12079584E+04 0.34221713E+05 13.403026 11.902515 1.042923 2.235227 0.994068 43.138873 108.676204 0.491586 0.439802 -1.124727 -0.050756 -0.089804 -0.021949 0.105465 -0.002973 -0.008900 0.019829 -0.023141 -0.139884 -0.052202 0.011890 0.040312 14.390165 10.440552 0.200057 0.129817 18.312829 1.249315 14.417112 0.735356 6 Cu 8.107950 4.186547 4.270712 0.865645 57.829653 0.10682811E+04 0.29321545E+05 12.911679 11.296050 1.096584 2.273176 0.996782 40.736398 100.703624 0.498202 0.447918 -1.120646 -0.029553 0.074656 -0.004500 0.080419 0.037684 0.018544 -0.005880 0.014534 0.034074 -0.048614 0.011054 0.037559 14.442094 14.370034 2.225454 -0.284567 15.098356 -2.304131 13.857891 0.747465 7 Cu 1.850236 20.189067 11.160282 0.742774 62.258878 0.12079565E+04 0.34221645E+05 13.403014 11.902504 1.042926 2.235229 0.994068 43.138848 108.676105 0.491586 0.439801 -1.124728 -0.050756 0.089805 0.021949 0.105465 0.002973 0.008899 0.019829 -0.023141 -0.139885 -0.052202 0.011890 0.040312 14.390151 10.440543 -0.200055 -0.129816 18.312811 1.249310 14.417100 0.735357 8 Cu 1.000950 6.391953 7.735788 0.865696 57.826515 0.10682092E+04 0.29319047E+05 12.911198 11.295656 1.096639 2.273207 0.996782 40.735191 100.699381 0.498213 0.447917 -1.120648 -0.029586 -0.074652 0.004456 0.080424 -0.037694 -0.018541 -0.005905 0.014493 0.034201 -0.048646 0.011108 0.037538 14.441531 14.369510 -2.225360 0.284533 15.097746 -2.303993 13.857337 0.747533 9 Cu 1.850236 11.546433 23.166782 0.742774 62.258928 0.12079577E+04 0.34221687E+05 13.403020 11.902509 1.042927 2.235229 0.994068 43.138870 108.676173 0.491586 0.439801 -1.124728 -0.050756 -0.089805 0.021949 0.105465 -0.002973 0.008900 -0.019829 -0.023141 -0.139885 -0.052202 0.011890 0.040312 14.390159 10.440545 0.200055 -0.129816 18.312821 -1.249311 14.417109 0.735357 10 Cu 1.000950 4.186547 19.742288 0.865640 57.829526 0.10682806E+04 0.29321592E+05 12.911824 11.296187 1.096434 2.273131 0.996782 40.735987 100.703444 0.498189 0.447930 -1.120637 -0.029555 0.074646 0.004467 0.080408 0.037695 -0.018537 0.005900 0.014552 0.034161 -0.048642 0.011091 0.037551 14.442248 14.370189 2.225479 0.284551 15.098531 2.304139 13.858024 0.747497 11 Cu 8.957236 20.189067 12.852718 0.742774 62.258922 0.12079574E+04 0.34221675E+05 13.403016 11.902506 1.042930 2.235230 0.994068 43.138872 108.676158 0.491587 0.439801 -1.124728 -0.050756 0.089804 -0.021949 0.105464 0.002973 -0.008900 -0.019829 -0.023142 -0.139884 -0.052202 0.011890 0.040312 14.390154 10.440543 -0.200057 0.129818 18.312816 -1.249312 14.417104 0.735357 12 Cu 8.107950 6.391953 16.277212 0.865755 57.823015 0.10681268E+04 0.29316151E+05 12.910571 11.295128 1.096846 2.273283 0.996782 40.734049 100.694670 0.498232 0.447910 -1.120656 -0.029565 -0.074655 -0.004484 0.080421 -0.037688 0.018538 0.005884 0.014531 0.034149 -0.048627 0.011076 0.037551 14.440812 14.368773 -2.225230 -0.284507 15.096986 2.303854 13.856677 0.747545 13 Cu 5.256764 9.610567 23.166782 0.742773 62.258989 0.12079593E+04 0.34221745E+05 13.403030 11.902518 1.042925 2.235228 0.994068 43.138892 108.676258 0.491586 0.439801 -1.124728 0.050756 0.089805 0.021949 0.105464 -0.002973 -0.008900 0.019828 -0.023141 -0.139884 -0.052202 0.011890 0.040312 14.390168 10.440555 0.200056 0.129818 18.312833 1.249314 14.417116 0.735356 14 Cu 6.106050 16.970453 19.742288 0.865704 57.825741 0.10681923E+04 0.29318487E+05 12.911147 11.295621 1.096613 2.273202 0.996782 40.734749 100.698346 0.498209 0.447922 -1.120645 0.029571 -0.074658 0.004474 0.080425 0.037685 0.018541 -0.005891 0.014510 0.034147 -0.048626 0.011082 0.037544 14.441467 14.369424 2.225345 -0.284530 15.097677 -2.303984 13.857299 0.747528 15 Cu 12.363764 0.967933 12.852718 0.742773 62.258969 0.12079587E+04 0.34221726E+05 13.403027 11.902516 1.042924 2.235228 0.994068 43.138882 108.676227 0.491586 0.439801 -1.124728 0.050756 -0.089805 -0.021949 0.105465 0.002973 0.008900 0.019829 -0.023141 -0.139885 -0.052202 0.011891 0.040312 14.390166 10.440550 -0.200057 -0.129816 18.312830 1.249313 14.417118 0.735357 16 Cu 13.213050 14.765047 16.277212 0.865619 57.830783 0.10683103E+04 0.29322647E+05 12.912072 11.296397 1.096349 2.273100 0.996782 40.736341 100.705120 0.498180 0.447934 -1.120633 0.029554 0.074665 -0.004467 0.080425 -0.037676 -0.018537 -0.005901 0.014547 0.034108 -0.048617 0.011078 0.037539 14.442531 14.370468 -2.225535 0.284556 15.098819 -2.304186 13.858307 0.747443 17 H 12.390344 11.913507 2.927185 0.108219 0.914627 0.64821160E+01 0.60765046E+02 1.592152 1.517212 -0.826765 2.492167 0.999440 3.422791 9.562202 0.490639 1.331702 -0.697411 0.000006 0.043609 -0.023044 0.049323 -0.000579 -0.000813 -0.002551 -0.032208 -0.009205 -0.014645 -0.003309 0.017955 1.605499 1.304885 -0.018430 0.005219 1.877648 -0.402329 1.633964 0.000634 18 H 12.626296 12.093341 5.246841 0.126518 0.934419 0.65645550E+01 0.62232247E+02 1.655329 1.555034 -1.253340 2.285895 0.996072 3.661499 10.561098 0.467724 1.381357 -0.685509 0.004269 0.032342 0.015567 0.036146 -0.002230 0.004551 -0.003923 -0.021761 0.013605 -0.014321 0.002570 0.011751 1.699237 1.306139 0.065323 0.039898 2.159028 0.481310 1.632543 0.000364 19 H 12.691681 10.155360 6.505122 0.111548 0.905182 0.64972783E+01 0.60961953E+02 1.581925 1.519999 -0.809219 2.499040 0.999283 3.436766 9.615441 0.489545 1.333479 -0.696959 0.006265 0.001011 0.040638 0.041131 0.000190 0.006876 -0.002307 -0.014505 0.032420 -0.014561 0.001465 0.013096 1.596521 1.303252 0.012363 0.108351 1.382834 0.076871 2.103475 -0.000069 20 H 12.535327 8.081974 5.472563 0.133882 0.901881 0.64365085E+01 0.61009511E+02 1.647460 1.565071 -1.324416 2.264345 0.993985 3.693793 10.821104 0.452803 1.427083 -0.676708 0.003383 -0.028925 0.020866 0.035826 0.001081 0.002303 0.001917 -0.020434 0.005384 -0.011539 0.001637 0.009903 1.675416 1.324665 0.000287 0.026793 1.938863 -0.399494 1.762721 0.000556 21 H 12.292267 6.156687 4.233492 0.143451 0.836175 0.58940549E+01 0.54336052E+02 1.543721 1.481624 -0.938904 2.459141 0.998554 3.365598 9.541395 0.475706 1.396668 -0.684313 0.000399 -0.007630 0.035411 0.036226 -0.000592 0.001000 -0.001325 -0.005203 0.027484 -0.007293 -0.002092 0.009385 1.563384 1.239729 0.023951 -0.016642 1.506788 -0.128215 1.943636 0.000564 22 H 12.214090 4.789945 0.477859 0.142602 0.876596 0.65234244E+01 0.61594253E+02 1.586579 1.554942 -1.023690 2.420627 0.997348 3.402271 9.715682 0.466721 1.389901 -0.686130 -0.003343 -0.029785 -0.024196 0.038520 0.001684 -0.000259 0.006878 -0.017461 0.018164 -0.011972 -0.000827 0.012799 1.579460 1.329541 0.008784 0.034650 1.719705 0.148755 1.689134 0.000606 23 H 12.413086 5.486010 22.214426 0.134486 0.851382 0.62165924E+01 0.58102638E+02 1.561034 1.521640 -1.019398 2.415156 0.997179 3.460178 9.890930 0.469202 1.396699 -0.684017 0.002862 -0.037657 -0.001389 0.037791 -0.000220 -0.001784 -0.002211 -0.022630 0.010180 -0.013212 0.002884 0.010329 1.551928 1.290363 0.001862 -0.013180 1.938936 0.016825 1.426484 0.000557 24 H 12.600711 6.421149 20.151710 0.119767 0.949222 0.64463376E+01 0.60687689E+02 1.665996 1.536460 -1.019105 2.402817 0.997745 3.528851 10.063377 0.473759 1.373286 -0.688175 0.008488 -0.020823 -0.034638 0.041297 0.001605 0.003808 0.001460 -0.017589 0.039522 -0.015989 0.002080 0.013909 1.741183 1.371883 -0.069151 -0.147557 1.737846 0.508501 2.113821 -0.000114 25 H 12.420193 8.718800 19.918784 0.119907 1.011004 0.69725275E+01 0.66599739E+02 1.698549 1.567427 -1.177751 2.323661 0.995471 3.571618 10.089191 0.485298 1.321343 -0.698409 0.003028 0.009895 -0.029682 0.031434 -0.001142 -0.000554 0.007262 -0.018774 0.028489 -0.014205 -0.000563 0.014768 1.752727 1.342695 0.006930 -0.018796 1.496139 -0.344272 2.419348 0.000385 26 H 12.251047 9.971294 21.698147 0.094812 1.023863 0.73733397E+01 0.71082382E+02 1.690574 1.596600 -0.909025 2.443017 0.998489 3.504301 9.792514 0.490060 1.296460 -0.705061 0.000514 0.045933 -0.010988 0.047232 -0.004974 -0.004633 -0.007703 -0.029348 0.011865 -0.019045 0.001740 0.017305 1.709467 1.347829 -0.024009 0.015211 2.361898 -0.022899 1.418675 0.001013 27 H 11.637002 4.195433 4.805001 0.117330 0.894132 0.63358809E+01 0.59368483E+02 1.600507 1.524531 -0.962452 2.431978 0.997563 3.494081 9.928751 0.475182 1.375615 -0.688140 -0.010455 0.025519 0.027537 0.038972 -0.002617 -0.005333 0.002615 -0.022549 0.028121 -0.017217 0.005027 0.012190 1.626213 1.405934 -0.155403 -0.145572 1.899785 0.206173 1.572918 -0.000007 28 H 12.950375 2.906972 1.299103 0.118386 0.957438 0.67294827E+01 0.62984707E+02 1.580717 1.499564 -0.731530 2.538777 0.999832 3.226256 8.689993 0.522244 1.253082 -0.715888 0.012486 0.002485 -0.038243 0.040306 -0.002808 -0.010008 -0.000101 -0.013833 0.027361 -0.015921 0.002652 0.013269 1.610466 1.345386 0.034836 -0.190772 1.505932 -0.282350 1.980080 0.000044 29 H 11.685329 2.071270 5.597430 0.120465 0.963060 0.69355574E+01 0.66779938E+02 1.706886 1.612419 -1.198973 2.314728 0.995018 3.714170 10.860623 0.452518 1.405743 -0.681283 -0.009458 0.003537 0.033549 0.035036 -0.002154 -0.007504 0.010129 -0.008686 0.033801 -0.012504 -0.006412 0.018915 1.758101 1.521264 0.058090 -0.189307 1.566970 -0.215781 2.186068 0.000042 30 H 12.947533 0.784925 2.079526 0.132807 0.931950 0.64845484E+01 0.59520112E+02 1.496432 1.429184 -0.734505 2.544577 0.999877 3.009660 7.764032 0.564929 1.181213 -0.734010 0.010069 -0.024530 -0.029098 0.039368 -0.003647 -0.008162 0.005672 -0.020940 0.026927 -0.017624 0.001800 0.015824 1.511063 1.271026 -0.127155 -0.089536 1.815512 0.213687 1.446652 0.000008 31 H 12.631982 19.807183 2.831133 0.132695 1.068637 0.78094401E+01 0.76692860E+02 1.761972 1.664099 -1.212509 2.322431 0.996121 3.550273 10.149569 0.469031 1.329749 -0.697711 0.005300 -0.011577 -0.055998 0.057428 -0.002816 -0.002135 -0.006726 -0.005991 0.062618 -0.015158 -0.007292 0.022449 1.781182 1.433250 -0.009700 -0.036273 1.684981 0.253960 2.225316 -0.000032 32 H 12.516848 19.022259 6.615582 0.107606 0.982090 0.66662308E+01 0.62643337E+02 1.648251 1.523236 -0.796753 2.513398 0.999541 3.322223 9.154959 0.499374 1.305225 -0.704129 0.000075 -0.027684 0.042777 0.050953 -0.003308 -0.000665 -0.003804 -0.022874 0.042649 -0.019057 0.003541 0.015516 1.696112 1.355797 -0.007308 0.051719 1.604139 -0.464775 2.128402 0.000021 33 H 12.481313 13.974198 1.371142 0.122527 0.898516 0.67840119E+01 0.64852783E+02 1.619966 1.590502 -1.099341 2.366195 0.996720 3.615895 10.478105 0.458196 1.398341 -0.683321 -0.002322 -0.013936 0.035240 0.037966 -0.003761 -0.003346 -0.009318 -0.009984 0.026699 -0.012834 -0.002124 0.014959 1.610124 1.364868 0.016394 -0.055653 1.561607 -0.195987 1.903896 0.000181 34 H 12.857984 13.534133 21.429201 0.110040 0.931949 0.69586378E+01 0.66239396E+02 1.594692 1.559492 -0.919646 2.439863 0.998638 3.471409 9.695979 0.490954 1.310610 -0.701890 0.007312 -0.020640 -0.030286 0.037373 -0.001145 -0.003383 0.004127 -0.021424 0.039656 -0.017714 0.002513 0.015201 1.585551 1.363565 -0.087599 -0.092197 1.593500 0.301452 1.799587 0.000007 35 H 12.535327 15.806395 21.124236 0.106457 0.972632 0.68668861E+01 0.65697883E+02 1.688766 1.581857 -1.060595 2.367881 0.997028 3.698797 10.644804 0.468499 1.366489 -0.688803 -0.002920 0.012406 -0.035004 0.037252 -0.002901 -0.001981 0.004905 -0.020819 0.032341 -0.016262 0.002335 0.013927 1.747183 1.366577 -0.054070 0.070019 1.606484 -0.486918 2.268489 0.000113 36 H 12.394608 17.209104 23.040474 0.114093 1.056660 0.80572733E+01 0.79777925E+02 1.742520 1.683333 -1.291703 2.262567 0.994881 3.728201 10.715496 0.469060 1.318813 -0.698884 -0.002057 0.036258 -0.002149 0.036380 0.001236 0.002114 -0.003160 -0.018338 -0.003093 -0.009417 -0.001151 0.010569 1.738094 1.402401 -0.065292 0.007751 2.201247 -0.209327 1.610633 0.000072 37 H 13.663918 12.981935 7.573700 0.096663 1.044022 0.76442064E+01 0.75612218E+02 1.801303 1.690473 -1.487457 2.156488 0.992179 4.099549 12.253911 0.441704 1.401895 -0.679975 0.031723 -0.006211 -0.009527 0.033700 -0.003807 -0.003978 -0.002704 0.003513 -0.020072 -0.009235 0.001405 0.007830 1.855878 2.554365 -0.208799 -0.086524 1.508370 0.040530 1.504897 0.000057 38 H 10.310836 15.038396 6.872521 0.117750 0.955400 0.70606043E+01 0.68099016E+02 1.675116 1.610264 -1.250681 2.285716 0.995727 3.712514 10.766871 0.461130 1.377157 -0.686695 -0.017906 0.028874 -0.017003 0.037993 -0.009163 0.001684 -0.008343 -0.004929 -0.001761 -0.011027 -0.002944 0.013971 1.686134 1.741965 -0.235357 0.114239 1.723447 -0.204182 1.592991 0.000368 39 H 12.560912 11.761176 9.228196 0.107247 1.076638 0.77917092E+01 0.75273071E+02 1.674994 1.587953 -0.795570 2.494842 0.999643 3.323571 8.948475 0.522426 1.213596 -0.725239 0.015797 -0.025575 0.023568 0.038198 -0.006194 -0.004481 -0.015076 0.006651 0.004400 -0.019283 0.005224 0.014059 1.691443 1.696170 -0.298905 0.218406 1.815075 -0.275567 1.563086 0.000108 40 H 10.325050 12.114498 9.607601 0.115136 1.117024 0.82754840E+01 0.81201106E+02 1.718955 1.638291 -0.994703 2.406502 0.998144 3.383472 9.196253 0.513236 1.216242 -0.724474 -0.014235 -0.020228 0.029081 0.038177 0.000153 -0.000894 -0.017546 -0.004182 0.008854 -0.015822 -0.003571 0.019393 1.727440 1.672651 0.212513 -0.281984 1.724529 -0.286799 1.785138 0.000014 41 H 5.283344 19.821993 9.079315 0.108219 0.914627 0.64821091E+01 0.60764960E+02 1.592151 1.517211 -0.826763 2.492168 0.999440 3.422789 9.562192 0.490639 1.331702 -0.697411 0.000006 -0.043609 0.023045 0.049323 0.000579 0.000813 -0.002551 -0.032208 -0.009205 -0.014645 -0.003309 0.017955 1.605498 1.304884 0.018430 -0.005219 1.877648 -0.402329 1.633962 0.000634 42 H 5.519296 19.642159 6.759660 0.126517 0.934420 0.65645581E+01 0.62232273E+02 1.655328 1.555034 -1.253333 2.285898 0.996072 3.661498 10.561089 0.467725 1.381355 -0.685509 0.004269 -0.032342 -0.015567 0.036146 0.002230 -0.004551 -0.003923 -0.021761 0.013604 -0.014321 0.002570 0.011751 1.699236 1.306139 -0.065323 -0.039898 2.159027 0.481310 1.632542 0.000364 43 H 5.584681 0.423140 5.501378 0.111548 0.905185 0.64973058E+01 0.60962276E+02 1.581929 1.520002 -0.809220 2.499039 0.999283 3.436772 9.615464 0.489544 1.333479 -0.696959 0.006265 -0.001011 -0.040638 0.041131 -0.000190 -0.006876 -0.002307 -0.014505 0.032420 -0.014561 0.001466 0.013096 1.596524 1.303255 -0.012363 -0.108352 1.382837 0.076871 2.103480 -0.000069 44 H 5.428327 2.496526 6.533937 0.133882 0.901877 0.64364717E+01 0.61009067E+02 1.647455 1.565067 -1.324410 2.264349 0.993985 3.693780 10.821053 0.452804 1.427083 -0.676708 0.003383 0.028925 -0.020866 0.035826 -0.001080 -0.002303 0.001917 -0.020434 0.005383 -0.011539 0.001637 0.009903 1.675411 1.324661 -0.000287 -0.026793 1.938856 -0.399492 1.762715 0.000556 45 H 5.185267 4.421813 7.773008 0.143451 0.836172 0.58940275E+01 0.54335722E+02 1.543716 1.481620 -0.938895 2.459145 0.998554 3.365587 9.541349 0.475708 1.396666 -0.684313 0.000399 0.007630 -0.035411 0.036226 0.000592 -0.001000 -0.001325 -0.005203 0.027485 -0.007293 -0.002092 0.009385 1.563379 1.239726 -0.023951 0.016642 1.506783 -0.128215 1.943629 0.000564 46 H 5.107090 5.788555 11.528641 0.142601 0.876597 0.65234261E+01 0.61594266E+02 1.586578 1.554941 -1.023688 2.420628 0.997348 3.402271 9.715678 0.466722 1.389900 -0.686131 -0.003343 0.029785 0.024195 0.038520 -0.001684 0.000259 0.006878 -0.017461 0.018164 -0.011973 -0.000827 0.012800 1.579460 1.329541 -0.008784 -0.034650 1.719705 0.148755 1.689134 0.000606 47 H 5.306086 5.092490 13.805074 0.134486 0.851381 0.62165846E+01 0.58102545E+02 1.561033 1.521639 -1.019397 2.415157 0.997179 3.460176 9.890922 0.469202 1.396699 -0.684017 0.002862 0.037657 0.001388 0.037791 0.000220 0.001783 -0.002211 -0.022630 0.010180 -0.013212 0.002884 0.010329 1.551927 1.290363 -0.001862 0.013180 1.938934 0.016825 1.426483 0.000557 48 H 5.493711 4.157351 15.867790 0.119767 0.949219 0.64463166E+01 0.60687457E+02 1.665995 1.536460 -1.019102 2.402820 0.997745 3.528847 10.063371 0.473758 1.373289 -0.688174 0.008488 0.020823 0.034639 0.041297 -0.001605 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1.592152 1.517212 -0.826762 2.492168 0.999440 3.422791 9.562198 0.490639 1.331701 -0.697411 -0.000006 -0.043609 -0.023045 0.049323 -0.000579 0.000813 0.002551 -0.032208 -0.009204 -0.014645 -0.003309 0.017955 1.605499 1.304885 -0.018430 -0.005219 1.877648 0.402329 1.633963 0.000634 66 H 8.694704 9.063659 5.246841 0.126517 0.934420 0.65645614E+01 0.62232315E+02 1.655329 1.555034 -1.253333 2.285898 0.996072 3.661500 10.561097 0.467725 1.381356 -0.685509 -0.004269 -0.032342 0.015567 0.036146 -0.002230 -0.004551 0.003923 -0.021761 0.013604 -0.014321 0.002570 0.011751 1.699237 1.306139 0.065323 -0.039898 2.159028 -0.481310 1.632543 0.000364 67 H 8.629319 11.001640 6.505122 0.111548 0.905184 0.64972923E+01 0.60962122E+02 1.581927 1.520001 -0.809221 2.499039 0.999283 3.436770 9.615458 0.489544 1.333480 -0.696959 -0.006265 -0.001011 0.040638 0.041131 0.000190 -0.006876 0.002307 -0.014505 0.032420 -0.014561 0.001466 0.013095 1.596523 1.303254 0.012363 -0.108352 1.382836 -0.076871 2.103478 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0.69355650E+01 0.66780025E+02 1.706886 1.612420 -1.198972 2.314729 0.995018 3.714170 10.860622 0.452518 1.405743 -0.681283 0.009458 0.003537 -0.033549 0.035036 0.002154 -0.007504 -0.010129 -0.008686 0.033801 -0.012503 -0.006412 0.018915 1.758101 1.521264 -0.058090 -0.189307 1.566970 0.215781 2.186070 0.000042 102 H 1.266467 11.363425 9.926974 0.132805 0.931952 0.64845672E+01 0.59520318E+02 1.496434 1.429186 -0.734500 2.544578 0.999877 3.009665 7.764043 0.564930 1.181211 -0.734011 -0.010070 -0.024530 0.029098 0.039368 0.003647 -0.008162 -0.005672 -0.020940 0.026927 -0.017625 0.001801 0.015824 1.511065 1.271028 0.127156 -0.089536 1.815513 -0.213688 1.446653 0.000008 103 H 1.582018 9.228683 9.175367 0.132694 1.068642 0.78094774E+01 0.76693313E+02 1.761976 1.664102 -1.212513 2.322429 0.996121 3.550282 10.149598 0.469031 1.329748 -0.697712 -0.005300 -0.011577 0.055999 0.057428 0.002816 -0.002135 0.006726 -0.005991 0.062619 -0.015158 -0.007292 0.022450 1.781186 1.433253 0.009700 -0.036273 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0.81200857E+02 1.718952 1.638289 -0.994703 2.406503 0.998144 3.383467 9.196231 0.513237 1.216241 -0.724475 0.014235 -0.020228 -0.029081 0.038177 -0.000153 -0.000894 0.017546 -0.004182 0.008854 -0.015822 -0.003571 0.019393 1.727437 1.672648 -0.212512 -0.281983 1.724526 0.286798 1.785135 0.000014 113 H 1.823656 9.243493 21.085815 0.108219 0.914628 0.64821172E+01 0.60765052E+02 1.592152 1.517212 -0.826764 2.492168 0.999440 3.422791 9.562198 0.490639 1.331701 -0.697411 -0.000006 -0.043609 0.023044 0.049323 -0.000579 -0.000813 -0.002551 -0.032208 -0.009204 -0.014645 -0.003309 0.017955 1.605499 1.304885 -0.018430 0.005219 1.877649 -0.402329 1.633963 0.000635 114 H 1.587704 9.063659 18.766160 0.126518 0.934421 0.65645678E+01 0.62232395E+02 1.655330 1.555035 -1.253340 2.285895 0.996072 3.661502 10.561107 0.467725 1.381356 -0.685509 -0.004269 -0.032342 -0.015567 0.036146 -0.002230 0.004551 -0.003923 -0.021760 0.013605 -0.014321 0.002570 0.011750 1.699238 1.306140 0.065323 0.039898 2.159029 0.481310 1.632544 0.000364 115 H 1.522319 11.001640 17.507878 0.111548 0.905184 0.64972939E+01 0.60962136E+02 1.581927 1.520001 -0.809221 2.499039 0.999283 3.436769 9.615453 0.489544 1.333479 -0.696959 -0.006265 -0.001011 -0.040638 0.041131 0.000190 0.006876 -0.002307 -0.014505 0.032420 -0.014561 0.001466 0.013095 1.596523 1.303254 0.012363 0.108352 1.382836 0.076871 2.103478 -0.000069 116 H 1.678673 13.075026 18.540437 0.133882 0.901882 0.64365097E+01 0.61009511E+02 1.647459 1.565070 -1.324416 2.264346 0.993985 3.693789 10.821083 0.452804 1.427081 -0.676708 -0.003383 0.028925 -0.020866 0.035825 0.001081 0.002302 0.001917 -0.020434 0.005383 -0.011539 0.001636 0.009903 1.675415 1.324664 0.000287 0.026793 1.938861 -0.399493 1.762720 0.000556 117 H 1.921733 15.000313 19.779508 0.143451 0.836173 0.58940343E+01 0.54335805E+02 1.543718 1.481621 -0.938899 2.459143 0.998554 3.365589 9.541359 0.475707 1.396667 -0.684313 -0.000399 0.007630 -0.035411 0.036226 -0.000592 0.001000 -0.001325 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0.40317987E+03 0.93559907E+04 7.985807 6.881809 0.032930 2.013968 0.998811 27.910021 81.243672 0.599208 0.440492 -1.043272 0.000096 -0.011423 -0.017653 0.021026 -0.000863 -0.001346 0.000423 0.017931 -0.007003 -0.007863 -0.002458 0.010322 8.296452 4.608944 0.101816 0.789502 10.529803 0.580557 9.750610 -0.003483 212 C 12.495527 8.862667 4.970691 -0.154987 31.830953 0.45014150E+03 0.10720749E+05 8.845096 7.192170 -0.069348 1.966210 0.997907 29.485466 86.510174 0.596799 0.430925 -1.050652 0.006511 0.017817 0.018352 0.026394 0.001163 -0.006612 -0.008191 0.024981 -0.052534 -0.022036 -0.000556 0.022592 9.524121 4.891743 0.274811 0.842671 10.656493 1.125799 13.024127 0.002027 213 C 12.334909 8.818238 3.611555 0.164030 31.658917 0.37500568E+03 0.85134364E+04 8.887851 6.605293 -0.110970 1.987207 0.999522 25.823987 73.429880 0.618389 0.436292 -1.049775 0.007220 0.048632 -0.011534 0.050500 0.008748 -0.005016 -0.007099 0.012621 -0.079932 -0.028303 0.003036 0.025266 10.137695 4.650237 0.120676 0.511201 12.299092 2.966642 13.463757 0.002189 214 C 12.290846 7.605941 2.811922 0.198523 32.797031 0.36629425E+03 0.82756774E+04 9.162390 6.568823 -0.123839 1.988360 0.999476 25.512508 72.619465 0.613700 0.441750 -1.045414 0.000751 -0.010113 -0.047760 0.048825 0.006161 0.003746 -0.002446 0.056535 0.001368 -0.029429 0.000306 0.029123 10.824491 4.804410 0.336352 0.002814 15.849147 1.619793 11.819915 -0.000793 215 C 12.282317 6.294207 3.313794 -0.197108 34.048890 0.46461909E+03 0.11108584E+05 9.175067 7.231226 0.165018 2.037191 0.998848 29.583422 85.828090 0.606997 0.422044 -1.060404 -0.007616 -0.009268 -0.002804 0.012319 0.001851 0.006062 -0.014568 0.105284 0.017769 -0.058969 0.008464 0.050505 10.410065 5.063630 0.389418 -0.074535 16.598603 -1.244268 9.567961 0.003360 216 C 12.258154 5.200391 2.463734 0.147761 35.845821 0.40516527E+03 0.93595670E+04 9.757423 6.876031 -0.217497 1.955757 0.999192 26.015820 74.150595 0.605910 0.437597 -1.051028 -0.011796 0.006684 0.000623 0.013573 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1.945425 0.999175 26.291145 76.081377 0.592087 0.447412 -1.040513 -0.001658 0.035729 -0.024939 0.043603 0.004898 -0.002926 -0.012454 0.023680 -0.040054 -0.022374 0.001908 0.020466 10.410646 5.109782 -0.031342 -0.546483 9.160476 -0.709019 16.961681 0.001506 220 C 12.403136 6.410571 22.115973 -0.146789 29.894247 0.44210269E+03 0.10470191E+05 8.481586 7.119851 -0.000068 1.994991 0.997337 29.050964 84.684298 0.601485 0.429982 -1.052410 0.013934 0.004050 -0.013821 0.020040 -0.003829 -0.003266 0.000984 0.008288 -0.092387 -0.031020 0.009758 0.021262 9.088359 5.026347 -0.056631 -0.827872 8.606430 1.095556 13.632299 0.001903 221 C 12.486999 6.958537 20.900915 0.016195 26.307091 0.36421945E+03 0.82408669E+04 7.907975 6.541123 0.005278 2.021884 0.998942 26.762031 76.953821 0.614502 0.440527 -1.043124 0.018324 0.019298 0.015706 0.030901 0.009209 0.011022 -0.002076 0.051240 -0.050948 -0.022739 -0.015002 0.037742 8.460822 4.640585 -0.335634 -1.000913 9.403465 0.739647 11.338416 -0.003328 222 C 12.403136 8.325280 20.761640 -0.114440 27.321976 0.36963025E+03 0.83588358E+04 7.888256 6.435230 0.351565 2.118921 0.999448 27.436053 77.791289 0.644668 0.420138 -1.060020 0.016873 -0.029937 -0.003573 0.034550 -0.000462 0.002243 0.003907 0.020820 -0.020851 -0.010998 -0.003126 0.014124 8.404458 4.423936 -0.315565 -0.568265 9.255389 0.653920 11.534049 0.003203 223 C 12.300796 9.048849 21.818212 0.103844 23.854900 0.30782018E+03 0.66752796E+04 7.291434 5.939449 0.276940 2.113855 0.999689 25.465569 71.595814 0.657215 0.429761 -1.050010 0.012270 -0.032226 0.060320 0.069481 0.002953 -0.002037 -0.029107 0.045947 -0.119879 -0.055958 0.012583 0.043374 7.783539 4.103093 -0.153958 -0.434182 8.586159 0.480704 10.661366 0.000046 224 C 12.243940 3.804029 2.936790 0.063579 36.435489 0.41535906E+03 0.96522279E+04 9.826647 6.931558 -0.124894 1.984846 0.998990 26.540876 75.805127 0.607621 0.433780 -1.053618 -0.016473 -0.003635 -0.008735 0.018996 -0.000438 0.009419 -0.005594 -0.025490 0.010945 -0.018675 0.003763 0.014911 12.909087 6.155865 -0.724672 -1.021756 21.190659 -6.479271 11.380737 0.000459 225 C 11.899961 3.505715 4.238295 -0.087779 33.526430 0.42824122E+03 0.10111943E+05 9.359377 7.107569 -0.167507 1.939358 0.998040 29.126487 86.176147 0.586374 0.442369 -1.039748 -0.000963 -0.034893 0.012991 0.037245 0.002599 0.009184 0.022007 0.017678 0.009028 -0.027016 0.002880 0.024136 11.412113 6.313280 -0.323935 -1.264540 16.771206 -5.059483 11.151853 -0.000474 226 C 12.667517 2.746179 2.168374 -0.082483 31.458050 0.40109726E+03 0.92780035E+04 8.808355 6.795420 0.066650 2.014795 0.999351 28.345511 81.870919 0.613320 0.431732 -1.050515 -0.012236 -0.031726 0.012140 0.036106 0.001934 -0.000661 0.002068 0.043281 0.057304 -0.031364 0.012130 0.019234 10.309907 5.652855 -1.029919 -0.856005 16.101786 -3.538552 9.175080 -0.000576 227 C 11.932653 2.238411 4.718555 -0.158306 33.776701 0.44178951E+03 0.10537968E+05 9.388210 7.220511 -0.274542 1.895827 0.997708 30.220135 90.553210 0.580247 0.442539 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0.043374 7.783536 4.103092 0.153957 0.434181 8.586160 0.480703 10.661355 0.000046 263 C 5.136940 6.774471 9.069710 0.063578 36.435513 0.41535915E+03 0.96522306E+04 9.826649 6.931557 -0.124887 1.984848 0.998990 26.540892 75.805174 0.607621 0.433780 -1.053618 -0.016473 0.003635 0.008735 0.018997 0.000438 -0.009418 -0.005595 -0.025491 0.010945 -0.018675 0.003763 0.014912 12.909092 6.155864 0.724669 1.021757 21.190664 -6.479279 11.380747 0.000458 264 C 4.792961 7.072785 7.768206 -0.087778 33.526479 0.42824171E+03 0.10111960E+05 9.359392 7.107577 -0.167519 1.939354 0.998040 29.126523 86.176345 0.586373 0.442370 -1.039747 -0.000964 0.034893 -0.012991 0.037245 -0.002599 -0.009185 0.022007 0.017677 0.009028 -0.027015 0.002879 0.024136 11.412135 6.313288 0.323933 1.264546 16.771237 -5.059494 11.151878 -0.000476 265 C 5.560517 7.832321 9.838126 -0.082484 31.458087 0.40109786E+03 0.92780202E+04 8.808358 6.795422 0.066654 2.014795 0.999352 28.345538 81.870989 0.613320 0.431732 -1.050515 -0.012236 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271 C 5.759513 19.652737 12.405116 0.589700 22.230493 0.25449020E+03 0.53285740E+04 7.404110 5.743355 -0.132628 2.013242 0.999476 22.931584 65.988710 0.601831 0.486062 -1.005549 -0.003409 0.066362 -0.013126 0.067734 -0.018477 -0.080375 0.023571 0.064835 0.184394 -0.068181 -0.053973 0.122153 8.271316 7.486278 0.439876 2.377955 11.497418 -1.125271 5.830253 -0.001332 272 C 5.570467 18.201367 12.563602 -0.014906 32.414046 0.44634608E+03 0.10560146E+05 8.933215 7.125662 -0.113990 1.974234 0.999037 27.642421 79.652378 0.606873 0.426589 -1.058073 -0.006892 -0.041902 0.014243 0.044789 -0.007116 0.011317 -0.003880 0.029580 -0.022075 -0.013545 -0.010991 0.024536 9.892534 5.373865 1.317296 0.673498 14.828176 -0.317760 9.475560 0.005019 273 C 5.419798 17.393170 11.487819 -0.153950 31.035152 0.48481200E+03 0.11815713E+05 8.805472 7.558890 -0.208266 1.899890 0.998806 31.055097 93.536568 0.568651 0.441951 -1.039349 -0.000210 -0.021596 0.009208 0.023478 -0.007625 0.001372 -0.023141 0.049279 0.033769 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8.825473 12.294333 4.970691 -0.154986 31.830893 0.45014048E+03 0.10720718E+05 8.845086 7.192163 -0.069348 1.966211 0.997907 29.485422 86.510009 0.596799 0.430926 -1.050652 -0.006511 -0.017816 0.018352 0.026394 0.001162 0.006611 0.008191 0.024982 -0.052536 -0.022036 -0.000556 0.022593 9.524110 4.891739 0.274811 -0.842671 10.656479 -1.125799 13.024112 0.002028 291 C 8.986091 12.338762 3.611555 0.164030 31.658910 0.37500548E+03 0.85134308E+04 8.887852 6.605293 -0.110975 1.987205 0.999522 25.823975 73.429849 0.618388 0.436293 -1.049775 -0.007220 -0.048632 -0.011534 0.050499 0.008748 0.005016 0.007099 0.012622 -0.079933 -0.028303 0.003036 0.025267 10.137697 4.650238 0.120676 -0.511201 12.299093 -2.966649 13.463759 0.002191 292 C 9.030154 13.551058 2.811922 0.198522 32.797034 0.36629418E+03 0.82756753E+04 9.162389 6.568822 -0.123841 1.988359 0.999476 25.512511 72.619467 0.613700 0.441750 -1.045414 -0.000750 0.010113 -0.047760 0.048825 0.006161 -0.003746 0.002446 0.056535 0.001368 -0.029430 0.000306 0.029123 10.824488 4.804409 0.336352 -0.002814 15.849135 -1.619803 11.819921 -0.000800 293 C 9.038683 14.862792 3.313794 -0.197105 34.048783 0.46461748E+03 0.11108535E+05 9.175049 7.231215 0.165017 2.037192 0.998848 29.583345 85.827796 0.606997 0.422045 -1.060404 0.007618 0.009268 -0.002804 0.012320 0.001852 -0.006063 0.014568 0.105286 0.017765 -0.058970 0.008463 0.050507 10.410041 5.063621 0.389417 0.074535 16.598563 1.244269 9.567940 0.003365 294 C 9.062846 15.956609 2.463734 0.147762 35.845750 0.40516450E+03 0.93595446E+04 9.757413 6.876026 -0.217501 1.955756 0.999192 26.015777 74.150442 0.605910 0.437598 -1.051027 0.011798 -0.006684 0.000624 0.013574 -0.003244 0.006154 -0.008325 0.027310 0.023315 -0.020097 0.003227 0.016871 12.629328 5.499367 0.235622 -0.064899 20.408843 5.584982 11.979774 -0.003757 295 C 9.077060 15.668874 1.090190 -0.193317 34.755329 0.48991395E+03 0.11917904E+05 9.471773 7.530318 -0.151773 1.933964 0.996795 30.369894 90.061977 0.580080 0.434048 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0.10470206E+05 8.481591 7.119856 -0.000071 1.994990 0.997337 29.050981 84.684372 0.601485 0.429982 -1.052410 -0.013932 -0.004050 -0.013820 0.020038 -0.003828 0.003265 -0.000983 0.008288 -0.092386 -0.031019 0.009758 0.021261 9.088363 5.026350 -0.056630 0.827869 8.606435 -1.095556 13.632305 0.001903 299 C 8.834001 14.198463 20.900915 0.016195 26.307098 0.36421964E+03 0.82408723E+04 7.907976 6.541124 0.005283 2.021885 0.998942 26.762038 76.953844 0.614502 0.440527 -1.043124 -0.018321 -0.019298 0.015706 0.030900 0.009210 -0.011023 0.002075 0.051241 -0.050946 -0.022739 -0.015003 0.037743 8.460822 4.640585 -0.335631 1.000911 9.403465 -0.739645 11.338416 -0.003329 300 C 8.917864 12.831720 20.761640 -0.114441 27.321968 0.36963013E+03 0.83588319E+04 7.888251 6.435227 0.351572 2.118924 0.999448 27.436049 77.791252 0.644668 0.420138 -1.060020 -0.016872 0.029937 -0.003572 0.034549 -0.000461 -0.002244 -0.003906 0.020819 -0.020851 -0.010997 -0.003127 0.014124 8.404453 4.423934 -0.315563 0.568264 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22.984270 0.30192720E+03 0.65392739E+04 7.199302 5.934061 0.080198 2.047476 0.999611 25.701560 73.062755 0.646615 0.437354 -1.041689 0.001348 0.013183 -0.031604 0.034270 0.015779 0.004547 0.016762 0.078084 0.009191 -0.048421 0.006226 0.042195 7.830665 4.579051 -0.587283 -0.163278 9.470032 1.349829 9.442911 -0.000483 310 C 8.454487 9.074237 23.614384 0.589700 22.230496 0.25449023E+03 0.53285747E+04 7.404110 5.743355 -0.132627 2.013243 0.999476 22.931584 65.988705 0.601831 0.486062 -1.005549 0.003409 0.066362 0.013126 0.067734 0.018477 -0.080376 -0.023571 0.064835 0.184394 -0.068180 -0.053973 0.122153 8.271316 7.486278 -0.439876 2.377956 11.497418 1.125270 5.830252 -0.001334 311 C 8.643533 7.622867 23.455898 -0.014906 32.414035 0.44634587E+03 0.10560139E+05 8.933212 7.125660 -0.113989 1.974234 0.999037 27.642412 79.652337 0.606873 0.426589 -1.058073 0.006893 -0.041901 -0.014243 0.044789 0.007116 0.011317 0.003880 0.029580 -0.022075 -0.013545 -0.010991 0.024536 9.892531 5.373863 -1.317296 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-0.114440 27.321986 0.36963050E+03 0.83588426E+04 7.888257 6.435232 0.351567 2.118922 0.999448 27.436047 77.791263 0.644668 0.420138 -1.060020 -0.016873 -0.029937 0.003573 0.034549 0.000461 0.002244 -0.003906 0.020819 -0.020852 -0.010997 -0.003127 0.014124 8.404458 4.423936 0.315565 -0.568264 9.255397 -0.653917 11.534041 0.003203 340 C 1.913204 19.627349 14.201288 0.103844 23.854885 0.30782007E+03 0.66752765E+04 7.291430 5.939448 0.276942 2.113856 0.999689 25.465556 71.595760 0.657215 0.429760 -1.050010 -0.012270 -0.032227 -0.060319 0.069480 -0.002953 -0.002037 0.029107 0.045948 -0.119879 -0.055958 0.012583 0.043374 7.783534 4.103091 0.153958 -0.434182 8.586158 -0.480704 10.661353 0.000045 341 C 1.970060 14.382529 9.069710 0.063579 36.435445 0.41535846E+03 0.96522101E+04 9.826637 6.931552 -0.124892 1.984847 0.998990 26.540861 75.805062 0.607622 0.433780 -1.053618 0.016473 -0.003635 0.008735 0.018997 0.000438 0.009419 0.005594 -0.025490 0.010943 -0.018674 0.003763 0.014912 12.909072 6.155859 0.724669 -1.021757 21.190622 6.479266 11.380733 0.000459 342 C 2.314039 14.084215 7.768206 -0.087777 33.526367 0.42824018E+03 0.10111913E+05 9.359368 7.107562 -0.167515 1.939357 0.998040 29.126452 86.176040 0.586374 0.442370 -1.039748 0.000963 -0.034892 -0.012991 0.037245 -0.002598 0.009185 -0.022007 0.017679 0.009029 -0.027016 0.002880 0.024136 11.412100 6.313275 0.323934 -1.264542 16.771177 5.059474 11.151848 -0.000473 343 C 1.546483 13.324679 9.838126 -0.082485 31.458089 0.40109793E+03 0.92780224E+04 8.808358 6.795423 0.066658 2.014797 0.999352 28.345542 81.871003 0.613320 0.431732 -1.050515 0.012236 -0.031726 -0.012141 0.036106 -0.001933 -0.000662 -0.002068 0.043280 0.057306 -0.031364 0.012130 0.019235 10.309909 5.652857 1.029918 -0.856006 16.101784 3.538553 9.175086 -0.000577 344 C 2.281347 12.816911 7.287946 -0.158305 33.776674 0.44178906E+03 0.10537955E+05 9.388208 7.220510 -0.274547 1.895826 0.997708 30.220110 90.553139 0.580247 0.442539 -1.037224 0.000367 0.043692 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0.070838 2.044479 0.999203 26.247143 75.228872 0.622575 0.442871 -1.039851 -0.005172 -0.034427 -0.031506 0.046953 -0.009123 0.004105 -0.004188 0.065029 -0.001967 -0.033834 -0.000875 0.034710 8.475990 4.757536 0.909841 -0.130762 12.108515 -0.792830 8.561919 0.000034 348 C 1.712787 8.917675 6.190551 0.146855 22.984308 0.30192778E+03 0.65392899E+04 7.199308 5.934066 0.080204 2.047478 0.999611 25.701603 73.062906 0.646615 0.437354 -1.041690 0.001348 -0.013182 0.031604 0.034269 -0.015778 -0.004547 0.016761 0.078082 0.009193 -0.048420 0.006226 0.042194 7.830671 4.579055 0.587283 0.163279 9.470034 1.349843 9.442924 -0.000479 349 C 1.347487 1.504263 12.405116 0.589699 22.230501 0.25449033E+03 0.53285769E+04 7.404110 5.743355 -0.132625 2.013244 0.999476 22.931584 65.988692 0.601831 0.486062 -1.005549 0.003409 -0.066362 -0.013126 0.067734 -0.018477 0.080376 -0.023571 0.064834 0.184393 -0.068180 -0.053973 0.122153 8.271315 7.486278 0.439875 -2.377956 11.497415 1.125271 5.830253 -0.001335 350 C 1.536533 2.955633 12.563602 -0.014904 32.413992 0.44634529E+03 0.10560121E+05 8.933203 7.125655 -0.113992 1.974233 0.999037 27.642384 79.652226 0.606874 0.426589 -1.058073 0.006893 0.041901 0.014242 0.044789 -0.007116 -0.011317 0.003880 0.029581 -0.022074 -0.013545 -0.010991 0.024536 9.892520 5.373859 1.317294 -0.673497 14.828156 0.317762 9.475545 0.005027 351 C 1.687202 3.763830 11.487819 -0.153952 31.035149 0.48481209E+03 0.11815714E+05 8.805468 7.558888 -0.208258 1.899893 0.998806 31.055075 93.536437 0.568651 0.441951 -1.039350 0.000210 0.021595 0.009208 0.023477 -0.007625 -0.001372 0.023142 0.049277 0.033774 -0.041279 0.016201 0.025078 9.298551 5.480420 0.835475 -0.821046 12.988956 -2.134924 9.426276 0.001423 352 C 1.491049 3.507831 13.855501 -0.128162 29.010187 0.46723388E+03 0.11246323E+05 8.332883 7.351766 -0.021154 1.962645 0.999079 30.280986 89.688830 0.586610 0.433791 -1.047576 -0.002674 0.007617 -0.025116 0.026382 -0.000827 -0.004986 -0.020947 0.010123 0.067584 -0.025859 -0.006281 0.032140 8.580483 5.301199 0.909445 -0.374456 10.839636 1.715347 9.600615 0.001379 353 C 1.647403 4.863994 14.038000 -0.091216 29.651114 0.46127600E+03 0.11055214E+05 8.454907 7.289903 -0.010162 1.975623 0.998712 29.640883 87.290660 0.591542 0.432030 -1.049793 0.005313 0.001544 -0.030261 0.030762 0.005101 -0.002193 -0.001072 -0.020695 0.082477 -0.025351 -0.002289 0.027639 8.866382 5.165246 0.885150 0.042523 10.351853 1.465839 11.082047 0.000925 354 C 1.758272 5.708159 12.878172 -0.112600 29.232523 0.44986562E+03 0.10741998E+05 8.391899 7.226938 -0.077636 1.950531 0.999171 30.018902 88.984265 0.589178 0.435369 -1.045087 -0.001093 -0.022209 0.011634 0.025096 -0.000928 0.009594 -0.004140 0.010599 -0.088177 -0.031562 0.009541 0.022021 8.704871 4.843720 0.380629 -0.427146 8.865959 0.347575 12.404933 0.001780 355 C 1.775329 5.162308 11.653509 -0.012217 33.919783 0.45374315E+03 0.10748090E+05 9.150700 7.141722 -0.010448 2.002332 0.999372 27.598267 78.821590 0.613420 0.421529 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0.10662805E+05 9.226781 7.071745 0.070253 2.028535 0.999407 27.372699 77.392043 0.625168 0.415108 -1.071127 0.026053 -0.022073 -0.024087 0.041788 0.015911 -0.002039 -0.013825 -0.016837 0.029269 -0.023875 -0.000838 0.024713 10.332963 12.869131 -0.226133 -2.854284 8.772125 3.125224 9.357632 0.002559 359 C 1.444142 2.581154 4.250301 -0.122382 31.423251 0.48100048E+03 0.11676902E+05 8.846502 7.492105 -0.144478 1.923834 0.998530 30.545645 91.238325 0.576541 0.437616 -1.043949 0.032624 0.005030 -0.009090 0.034238 0.001324 -0.009425 -0.029173 0.013554 -0.005861 -0.033852 0.005482 0.028371 9.237138 11.350318 1.038329 -0.977955 8.285524 2.131334 8.075573 0.000957 360 C 3.446895 3.784987 4.687338 -0.156557 34.525443 0.48855433E+03 0.11898340E+05 9.375409 7.520325 -0.092806 1.930415 0.999604 31.001445 92.538852 0.579350 0.434102 -1.046779 -0.015036 -0.008388 -0.015011 0.022843 0.014719 0.025238 -0.010369 -0.040035 0.033043 -0.043864 0.018799 0.025065 10.377766 15.384340 -0.252807 -3.081719 7.407380 1.629136 8.341576 0.001354 361 C 2.113622 1.823733 3.268169 -0.093190 28.713842 0.40973763E+03 0.94937473E+04 8.095011 6.742842 0.330843 2.087016 0.999786 28.557106 81.571593 0.635277 0.416113 -1.064119 0.013272 0.027604 0.003417 0.030819 0.012153 0.000332 0.021381 -0.026917 0.043083 -0.027074 -0.006237 0.033311 8.489985 11.270838 0.840376 -1.172125 7.265615 1.712704 6.933501 0.000908 362 C 3.442631 2.035303 3.044848 -0.108778 29.755740 0.42242131E+03 0.98941161E+04 8.385175 6.925182 0.082945 2.000083 0.999694 29.306821 85.051412 0.614224 0.425743 -1.054670 -0.018174 0.021661 0.003682 0.028515 -0.017464 -0.001399 0.007139 -0.028071 0.074189 -0.034827 0.007221 0.027606 8.823564 12.052094 1.534628 -0.694647 7.576780 1.689308 6.841817 0.001288 363 C 4.132010 2.989484 3.772442 -0.018571 35.449269 0.45625887E+03 0.10799353E+05 9.382663 7.136125 0.113769 2.042370 0.999417 27.442858 77.798422 0.618265 0.418548 -1.068510 -0.045351 -0.003065 0.002319 0.045514 -0.002030 0.004909 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28.868175 84.121113 0.598894 0.432090 -1.051148 -0.008115 0.011034 0.000335 0.013701 -0.000141 -0.002052 -0.005157 0.004544 -0.014602 -0.008344 0.002932 0.005412 8.781340 4.740008 0.091954 0.653141 10.614807 1.149935 10.989204 0.004220 367 C 1.616132 11.052417 18.429978 -0.014031 26.792994 0.40318028E+03 0.93560029E+04 7.985813 6.881813 0.032928 2.013967 0.998811 27.910031 81.243717 0.599208 0.440492 -1.043272 -0.000097 0.011423 0.017653 0.021027 -0.000864 -0.001345 0.000423 0.017931 -0.007004 -0.007863 -0.002458 0.010322 8.296459 4.608946 0.101816 0.789503 10.529810 0.580556 9.750619 -0.003481 368 C 1.718473 12.294333 19.042309 -0.154987 31.830913 0.45014072E+03 0.10720726E+05 8.845089 7.192165 -0.069348 1.966211 0.997907 29.485443 86.510087 0.596799 0.430926 -1.050652 -0.006512 -0.017816 -0.018352 0.026394 0.001162 -0.006611 -0.008191 0.024982 -0.052536 -0.022036 -0.000556 0.022593 9.524114 4.891740 0.274810 0.842670 10.656486 1.125797 13.024115 0.002025 369 C 1.879091 12.338762 20.401445 0.164030 31.658920 0.37500555E+03 0.85134324E+04 8.887852 6.605292 -0.110970 1.987207 0.999522 25.823977 73.429840 0.618389 0.436292 -1.049775 -0.007220 -0.048632 0.011534 0.050500 0.008748 -0.005016 -0.007099 0.012621 -0.079933 -0.028303 0.003037 0.025267 10.137697 4.650237 0.120675 0.511201 12.299094 2.966650 13.463761 0.002193 370 C 1.923154 13.551058 21.201078 0.198523 32.797015 0.36629383E+03 0.82756657E+04 9.162386 6.568819 -0.123838 1.988360 0.999476 25.512498 72.619424 0.613701 0.441750 -1.045414 -0.000751 0.010113 0.047760 0.048825 0.006161 0.003746 -0.002446 0.056535 0.001368 -0.029430 0.000306 0.029124 10.824486 4.804407 0.336350 0.002815 15.849133 1.619805 11.819918 -0.000794 371 C 1.931683 14.862792 20.699206 -0.197107 34.048836 0.46461825E+03 0.11108559E+05 9.175060 7.231222 0.165017 2.037192 0.998848 29.583375 85.827924 0.606997 0.422045 -1.060404 0.007616 0.009268 0.002804 0.012319 0.001852 0.006063 -0.014568 0.105285 0.017768 -0.058970 0.008464 0.050506 10.410056 5.063625 0.389415 -0.074534 16.598589 -1.244270 9.567952 0.003361 372 C 1.955846 15.956609 21.549266 0.147762 35.845828 0.40516520E+03 0.93595656E+04 9.757429 6.876033 -0.217501 1.955756 0.999192 26.015811 74.150587 0.605909 0.437598 -1.051027 0.011796 -0.006684 -0.000624 0.013573 -0.003244 -0.006153 0.008325 0.027309 0.023315 -0.020097 0.003227 0.016870 12.629356 5.499373 0.235620 0.064901 20.408895 -5.585003 11.979800 -0.003752 373 C 1.970060 15.668874 22.922810 -0.193319 34.755424 0.48991537E+03 0.11917949E+05 9.471793 7.530330 -0.151779 1.933961 0.996795 30.369957 90.062245 0.580079 0.434048 -1.048730 0.006893 0.003915 -0.007596 0.010979 -0.003836 -0.013479 0.033959 0.046309 -0.084710 -0.054715 0.011917 0.042799 11.007358 5.725047 0.422411 0.033276 14.180845 -5.111457 13.116182 0.003822 374 C 1.940211 14.346562 23.383859 0.201798 31.518175 0.36767969E+03 0.83709541E+04 9.139284 6.721594 -0.387075 1.905412 0.998930 26.160891 76.412235 0.583841 0.460793 -1.027505 0.000866 -0.018032 -0.041374 0.045141 -0.002518 -0.002814 0.017095 0.036074 -0.027462 -0.028537 0.005109 0.023428 10.844754 5.213560 0.429046 -0.207129 11.878560 -3.055210 15.442143 -0.000698 375 C 1.914626 13.906496 0.754008 0.171412 31.514248 0.39935310E+03 0.92335821E+04 9.016858 6.902662 -0.248012 1.945424 0.999175 26.291143 76.081387 0.592087 0.447412 -1.040513 0.001658 -0.035728 0.024939 0.043603 0.004898 -0.002926 -0.012454 0.023680 -0.040054 -0.022374 0.001908 0.020466 10.410647 5.109782 -0.031343 -0.546482 9.160477 -0.709021 16.961682 0.001506 376 C 1.810864 14.746429 1.897027 -0.146789 29.894256 0.44210294E+03 0.10470198E+05 8.481587 7.119853 -0.000067 1.994991 0.997337 29.050969 84.684311 0.601485 0.429982 -1.052410 -0.013935 -0.004049 0.013821 0.020039 -0.003829 -0.003266 0.000984 0.008288 -0.092387 -0.031020 0.009758 0.021262 9.088360 5.026349 -0.056632 -0.827872 8.606431 1.095557 13.632300 0.001903 377 C 1.727001 14.198463 3.112085 0.016195 26.307079 0.36421935E+03 0.82408632E+04 7.907970 6.541120 0.005289 2.021887 0.998942 26.762021 76.953755 0.614503 0.440527 -1.043125 -0.018324 -0.019298 -0.015706 0.030901 0.009209 0.011022 -0.002076 0.051239 -0.050947 -0.022739 -0.015002 0.037741 8.460815 4.640583 -0.335635 -1.000912 9.403458 0.739646 11.338405 -0.003329 378 C 1.810864 12.831720 3.251360 -0.114440 27.322002 0.36963071E+03 0.83588483E+04 7.888259 6.435232 0.351569 2.118922 0.999448 27.436062 77.791307 0.644668 0.420138 -1.060020 -0.016873 0.029937 0.003573 0.034550 -0.000462 0.002243 0.003907 0.020819 -0.020849 -0.010997 -0.003126 0.014123 8.404461 4.423938 -0.315565 -0.568265 9.255390 0.653921 11.534056 0.003204 379 C 1.913204 12.108151 2.194788 0.103844 23.854913 0.30782038E+03 0.66752853E+04 7.291435 5.939450 0.276941 2.113855 0.999689 25.465582 71.595859 0.657215 0.429760 -1.050010 -0.012270 0.032227 -0.060320 0.069481 0.002953 -0.002037 -0.029107 0.045947 -0.119879 -0.055958 0.012584 0.043374 7.783541 4.103094 -0.153958 -0.434182 8.586162 0.480703 10.661368 0.000044 380 C 1.970060 17.352971 21.076210 0.063578 36.435473 0.41535857E+03 0.96522147E+04 9.826648 6.931556 -0.124894 1.984846 0.998990 26.540872 75.805138 0.607621 0.433780 -1.053617 0.016473 0.003635 0.008735 0.018997 -0.000438 0.009419 -0.005594 -0.025489 0.010943 -0.018674 0.003763 0.014911 12.909091 6.155863 -0.724670 -1.021756 21.190661 -6.479282 11.380749 0.000458 381 C 2.314039 17.651285 19.774706 -0.087776 33.526399 0.42824046E+03 0.10111923E+05 9.359380 7.107568 -0.167520 1.939355 0.998040 29.126469 86.176148 0.586374 0.442370 -1.039747 0.000964 0.034893 -0.012991 0.037245 0.002599 0.009185 0.022007 0.017678 0.009027 -0.027016 0.002880 0.024136 11.412118 6.313278 -0.323933 -1.264544 16.771210 -5.059487 11.151866 -0.000475 382 C 1.546483 18.410821 21.844626 -0.082485 31.458131 0.40109847E+03 0.92780391E+04 8.808370 6.795430 0.066647 2.014793 0.999351 28.345564 81.871118 0.613319 0.431732 -1.050515 0.012236 0.031725 -0.012140 0.036106 0.001933 -0.000662 0.002068 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22.230488 0.25449013E+03 0.53285720E+04 7.404109 5.743354 -0.132628 2.013243 0.999476 22.931579 65.988689 0.601831 0.486062 -1.005549 0.003408 0.066362 -0.013126 0.067734 0.018477 0.080376 0.023571 0.064835 0.184393 -0.068180 -0.053973 0.122153 8.271315 7.486276 -0.439875 -2.377955 11.497416 -1.125273 5.830252 -0.001330 389 C 1.536533 7.622867 0.557102 -0.014906 32.414040 0.44634609E+03 0.10560146E+05 8.933214 7.125662 -0.113990 1.974234 0.999037 27.642421 79.652378 0.606873 0.426589 -1.058073 0.006892 -0.041902 0.014243 0.044789 0.007116 -0.011317 -0.003881 0.029580 -0.022074 -0.013545 -0.010990 0.024535 9.892532 5.373865 -1.317296 -0.673498 14.828175 -0.317765 9.475557 0.005020 390 C 1.687202 6.814670 23.494319 -0.153950 31.035112 0.48481141E+03 0.11815695E+05 8.805465 7.558886 -0.208266 1.899890 0.998806 31.055054 93.536392 0.568651 0.441951 -1.039349 0.000209 -0.021596 0.009208 0.023478 0.007626 -0.001371 -0.023141 0.049281 0.033770 -0.041280 0.016202 0.025078 9.298547 5.480417 -0.835474 -0.821045 12.988949 2.134918 9.426275 0.001430 391 C 1.491049 7.070669 1.849001 -0.128165 29.010297 0.46723602E+03 0.11246388E+05 8.332901 7.351780 -0.021154 1.962643 0.999079 30.281087 89.689204 0.586610 0.433790 -1.047576 -0.002675 -0.007618 -0.025118 0.026383 0.000827 -0.004986 0.020949 0.010121 0.067585 -0.025859 -0.006283 0.032142 8.580503 5.301210 -0.909448 -0.374457 10.839664 -1.715350 9.600634 0.001385 392 C 1.647403 5.714506 2.031500 -0.091220 29.651263 0.46127882E+03 0.11055298E+05 8.454928 7.289919 -0.010152 1.975624 0.998712 29.641003 87.291070 0.591542 0.432029 -1.049794 0.005313 -0.001544 -0.030262 0.030763 -0.005102 -0.002192 0.001070 -0.020697 0.082481 -0.025352 -0.002288 0.027641 8.866404 5.165259 -0.885154 0.042523 10.351882 -1.465841 11.082072 0.000919 393 C 1.758272 4.870341 0.871672 -0.112601 29.232597 0.44986697E+03 0.10742040E+05 8.391913 7.226948 -0.077637 1.950530 0.999171 30.018976 88.984555 0.589178 0.435369 -1.045087 -0.001093 0.022210 0.011634 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399 C 3.446895 6.793513 16.693838 -0.156557 34.525508 0.48855543E+03 0.11898376E+05 9.375426 7.520337 -0.092817 1.930411 0.999604 31.001498 92.539106 0.579349 0.434102 -1.046779 -0.015036 0.008388 -0.015010 0.022842 -0.014719 0.025238 0.010369 -0.040037 0.033045 -0.043864 0.018798 0.025065 10.377783 15.384359 0.252813 -3.081728 7.407395 -1.629143 8.341595 0.001349 400 C 2.113622 8.754767 15.274669 -0.093192 28.713932 0.40973912E+03 0.94937902E+04 8.095023 6.742850 0.330850 2.087016 0.999786 28.557179 81.571829 0.635277 0.416113 -1.064119 0.013272 -0.027604 0.003418 0.030819 -0.012154 0.000333 -0.021382 -0.026916 0.043082 -0.027074 -0.006238 0.033312 8.489996 11.270855 -0.840375 -1.172129 7.265624 -1.712707 6.933511 0.000909 401 C 3.442631 8.543197 15.051348 -0.108782 29.755888 0.42242393E+03 0.98941934E+04 8.385200 6.925201 0.082943 2.000080 0.999694 29.306937 85.051834 0.614224 0.425743 -1.054670 -0.018174 -0.021661 0.003683 0.028514 0.017465 -0.001400 -0.007140 -0.028070 0.074189 -0.034827 0.007220 0.027607 8.823589 12.052132 -1.534632 -0.694652 7.576801 -1.689312 6.841836 0.001283 402 C 4.132010 7.589016 15.778942 -0.018571 35.449327 0.45625965E+03 0.10799379E+05 9.382678 7.136134 0.113765 2.042368 0.999417 27.442899 77.798623 0.618264 0.418548 -1.068509 -0.045351 0.003066 0.002320 0.045513 0.002030 0.004910 -0.003151 -0.000696 0.034490 -0.009416 -0.003713 0.013129 10.741552 16.905552 -1.641292 -1.675278 7.721443 -1.680899 7.597661 0.005564 403 C 5.614530 7.352057 15.570029 0.565190 21.719569 0.25947748E+03 0.54364871E+04 7.230893 5.748065 -0.047126 2.034013 0.999564 23.001424 65.306626 0.612227 0.477502 -1.014287 0.056041 -0.026951 0.009312 0.062878 0.025279 0.020559 0.059811 -0.128139 -0.020930 -0.067860 -0.039054 0.106914 8.058217 12.103984 -1.040659 -1.224697 5.256256 -0.823533 6.814411 -0.001194 404 C 8.902228 0.562776 15.452366 0.102007 25.185792 0.35311009E+03 0.79144930E+04 7.621715 6.422291 0.215943 2.095912 0.999326 26.040732 74.117341 0.623867 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0.45014049E+03 0.10720720E+05 8.845088 7.192165 -0.069353 1.966210 0.997907 29.485431 86.510067 0.596799 0.430926 -1.050652 -0.006511 0.017817 0.018352 0.026394 -0.001163 0.006612 -0.008191 0.024983 -0.052536 -0.022036 -0.000557 0.022594 9.524111 4.891739 -0.274812 -0.842668 10.656482 1.125798 13.024113 0.002024 408 C 8.986091 19.396738 15.618055 0.164030 31.658911 0.37500565E+03 0.85134351E+04 8.887850 6.605293 -0.110968 1.987207 0.999522 25.823974 73.429829 0.618389 0.436292 -1.049775 -0.007220 0.048632 -0.011534 0.050500 -0.008748 0.005016 -0.007099 0.012621 -0.079933 -0.028303 0.003036 0.025267 10.137694 4.650237 -0.120675 -0.511200 12.299091 2.966644 13.463753 0.002193 409 C 9.030154 18.184441 14.818422 0.198523 32.797002 0.36629380E+03 0.82756648E+04 9.162385 6.568820 -0.123839 1.988360 0.999476 25.512497 72.619429 0.613700 0.441750 -1.045414 -0.000750 -0.010113 -0.047760 0.048825 -0.006161 -0.003746 -0.002446 0.056536 0.001368 -0.029430 0.000306 0.029124 10.824484 4.804407 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9.020204 19.627349 9.811712 0.103844 23.854896 0.30782023E+03 0.66752812E+04 7.291434 5.939450 0.276940 2.113855 0.999689 25.465569 71.595822 0.657214 0.429761 -1.050010 -0.012269 -0.032227 0.060320 0.069481 -0.002953 0.002037 -0.029107 0.045947 -0.119880 -0.055958 0.012583 0.043374 7.783539 4.103093 0.153957 0.434182 8.586163 0.480703 10.661360 0.000047 419 C 9.077060 14.382529 14.943290 0.063579 36.435484 0.41535895E+03 0.96522245E+04 9.826645 6.931557 -0.124892 1.984847 0.998990 26.540871 75.805104 0.607621 0.433780 -1.053618 0.016474 -0.003635 -0.008735 0.018998 0.000438 -0.009418 -0.005594 -0.025490 0.010944 -0.018674 0.003763 0.014911 12.909083 6.155864 0.724672 1.021757 21.190647 -6.479272 11.380739 0.000460 420 C 9.421039 14.084215 16.244795 -0.087775 33.526291 0.42823906E+03 0.10111880E+05 9.359354 7.107553 -0.167507 1.939360 0.998040 29.126402 86.175842 0.586375 0.442369 -1.039748 0.000966 -0.034893 0.012990 0.037245 -0.002598 -0.009185 0.022007 0.017680 0.009025 -0.027016 0.002880 0.024136 11.412081 6.313266 0.323937 1.264540 16.771149 -5.059463 11.151829 -0.000479 421 C 8.653483 13.324679 14.174874 -0.082485 31.458146 0.40109865E+03 0.92780438E+04 8.808370 6.795430 0.066651 2.014794 0.999352 28.345574 81.871138 0.613320 0.431732 -1.050515 0.012237 -0.031726 0.012140 0.036106 -0.001933 0.000662 0.002067 0.043280 0.057306 -0.031364 0.012130 0.019235 10.309926 5.652864 1.029921 0.856006 16.101817 -3.538563 9.175096 -0.000579 422 C 9.388347 12.816911 16.725055 -0.158305 33.776689 0.44178946E+03 0.10537967E+05 9.388212 7.220513 -0.274548 1.895825 0.997708 30.220130 90.553220 0.580247 0.442539 -1.037224 0.000370 0.043691 -0.002821 0.043784 -0.000751 -0.003442 0.012715 0.049162 0.040422 -0.034676 0.013782 0.020894 11.182560 6.669198 0.879052 1.173226 17.245258 -2.971885 9.633223 0.000385 423 C 8.635005 12.059490 14.643127 -0.170254 32.194986 0.40947962E+03 0.94829898E+04 8.774548 6.750520 0.228022 2.055500 0.999610 28.835916 82.254128 0.633752 0.417324 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0.65392800E+04 7.199310 5.934069 0.080176 2.047469 0.999611 25.701585 73.062915 0.646613 0.437355 -1.041689 0.001348 -0.013183 -0.031605 0.034270 -0.015780 0.004547 -0.016763 0.078084 0.009189 -0.048422 0.006226 0.042196 7.830673 4.579058 0.587280 -0.163280 9.470033 -1.349847 9.442927 -0.000486 427 C 8.454487 1.504263 11.607884 0.589699 22.230499 0.25449027E+03 0.53285759E+04 7.404112 5.743356 -0.132628 2.013242 0.999476 22.931590 65.988733 0.601831 0.486062 -1.005549 0.003408 -0.066362 0.013126 0.067734 -0.018477 -0.080376 0.023571 0.064834 0.184394 -0.068180 -0.053973 0.122153 8.271318 7.486280 0.439875 2.377956 11.497421 -1.125274 5.830254 -0.001333 428 C 8.643533 2.955633 11.449398 -0.014906 32.414044 0.44634605E+03 0.10560145E+05 8.933214 7.125661 -0.113990 1.974234 0.999037 27.642419 79.652364 0.606873 0.426589 -1.058073 0.006892 0.041901 -0.014243 0.044789 -0.007116 0.011317 -0.003880 0.029580 -0.022074 -0.013545 -0.010991 0.024535 9.892533 5.373865 1.317296 0.673498 14.828176 -0.317765 9.475558 0.005019 429 C 8.794202 3.763830 12.525181 -0.153950 31.035095 0.48481098E+03 0.11815682E+05 8.805463 7.558883 -0.208266 1.899891 0.998806 31.055045 93.536367 0.568651 0.441951 -1.039349 0.000209 0.021596 -0.009207 0.023478 -0.007626 0.001371 -0.023141 0.049280 0.033769 -0.041280 0.016202 0.025077 9.298546 5.480416 0.835475 0.821046 12.988945 2.134921 9.426276 0.001432 430 C 8.598049 3.507831 10.157499 -0.128166 29.010319 0.46723641E+03 0.11246399E+05 8.332902 7.351781 -0.021151 1.962644 0.999079 30.281100 89.689226 0.586610 0.433790 -1.047576 -0.002675 0.007617 0.025117 0.026383 -0.000826 0.004986 0.020948 0.010120 0.067585 -0.025859 -0.006283 0.032142 8.580504 5.301211 0.909448 0.374457 10.839665 -1.715353 9.600637 0.001390 431 C 8.754403 4.863994 9.975000 -0.091220 29.651254 0.46127855E+03 0.11055289E+05 8.454925 7.289917 -0.010152 1.975624 0.998712 29.640992 87.291020 0.591543 0.432029 -1.049794 0.005313 0.001544 0.030262 0.030764 0.005102 0.002193 0.001070 -0.020696 0.082480 -0.025352 -0.002288 0.027640 8.866402 5.165257 0.885153 -0.042523 10.351878 -1.465843 11.082071 0.000915 432 C 8.865272 5.708159 11.134828 -0.112600 29.232551 0.44986608E+03 0.10742013E+05 8.391904 7.226941 -0.077636 1.950531 0.999171 30.018933 88.984388 0.589178 0.435369 -1.045087 -0.001093 -0.022209 -0.011634 0.025096 -0.000928 -0.009595 0.004141 0.010599 -0.088178 -0.031563 0.009541 0.022022 8.704876 4.843722 0.380630 0.427147 8.865968 -0.347570 12.404938 0.001788 433 C 8.882329 5.162308 12.359491 -0.012215 33.919738 0.45374230E+03 0.10748066E+05 9.150698 7.141719 -0.010454 2.002331 0.999372 27.598239 78.821527 0.613419 0.421529 -1.064321 -0.008307 -0.034361 -0.027010 0.044488 0.000918 -0.009808 -0.008835 0.000583 -0.043117 -0.020467 0.006239 0.014227 10.354730 5.094857 0.460068 0.457399 11.758109 2.515852 14.211224 0.003491 434 C 8.930656 6.050902 13.610568 0.569873 21.907188 0.27029601E+03 0.57267083E+04 7.283231 5.883932 -0.256258 1.959982 0.998907 23.402352 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31.423280 0.48100107E+03 0.11676921E+05 8.846510 7.492112 -0.144485 1.923832 0.998530 30.545669 91.238435 0.576541 0.437617 -1.043948 0.032624 0.005029 0.009090 0.034239 0.001324 0.009424 0.029174 0.013554 -0.005863 -0.033852 0.005482 0.028370 9.237146 11.350330 1.038327 0.977958 8.285529 -2.131335 8.075580 0.000956 438 C 10.553895 3.784987 19.325662 -0.156559 34.525512 0.48855560E+03 0.11898379E+05 9.375422 7.520335 -0.092808 1.930413 0.999604 31.001493 92.539043 0.579350 0.434102 -1.046779 -0.015036 -0.008388 0.015011 0.022842 0.014719 -0.025238 0.010368 -0.040037 0.033042 -0.043864 0.018799 0.025064 10.377778 15.384351 -0.252813 3.081726 7.407392 -1.629140 8.341592 0.001350 439 C 9.220622 1.823733 20.744831 -0.093191 28.713876 0.40973817E+03 0.94937625E+04 8.095014 6.742843 0.330851 2.087018 0.999786 28.557136 81.571683 0.635277 0.416113 -1.064119 0.013272 0.027604 -0.003418 0.030819 0.012153 -0.000332 -0.021381 -0.026917 0.043082 -0.027074 -0.006238 0.033311 8.489988 11.270845 0.840375 1.172127 7.265615 -1.712704 6.933502 0.000910 440 C 10.549631 2.035303 20.968152 -0.108780 29.755849 0.42242322E+03 0.98941739E+04 8.385197 6.925199 0.082939 2.000080 0.999694 29.306908 85.051769 0.614223 0.425743 -1.054670 -0.018173 0.021661 -0.003683 0.028514 -0.017465 0.001400 -0.007138 -0.028070 0.074188 -0.034827 0.007221 0.027606 8.823588 12.052131 1.534631 0.694651 7.576800 -1.689312 6.841834 0.001284 441 C 11.239010 2.989484 20.240558 -0.018569 35.449323 0.45625960E+03 0.10799376E+05 9.382674 7.136132 0.113767 2.042368 0.999417 27.442895 77.798585 0.618265 0.418548 -1.068509 -0.045351 -0.003065 -0.002320 0.045514 -0.002031 -0.004909 -0.003152 -0.000697 0.034489 -0.009417 -0.003712 0.013129 10.741549 16.905550 1.641295 1.675275 7.721441 -1.680897 7.597656 0.005564 442 C 12.721530 3.226443 20.449471 0.565187 21.719639 0.25947836E+03 0.54365082E+04 7.230902 5.748069 -0.047111 2.034017 0.999564 23.001436 65.306602 0.612228 0.477501 -1.014288 0.056043 0.026950 -0.009311 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0.032932 2.013968 0.998811 27.910027 81.243689 0.599208 0.440492 -1.043272 0.000096 -0.011424 0.017653 0.021027 -0.000864 0.001345 -0.000422 0.017931 -0.007004 -0.007863 -0.002458 0.010321 8.296454 4.608945 0.101817 -0.789502 10.529803 -0.580557 9.750615 -0.003478 446 C 5.388527 8.862667 19.042309 -0.154986 31.830871 0.45014009E+03 0.10720708E+05 8.845084 7.192162 -0.069351 1.966210 0.997907 29.485416 86.510006 0.596799 0.430926 -1.050652 0.006511 0.017816 -0.018352 0.026394 0.001163 0.006611 0.008191 0.024983 -0.052535 -0.022036 -0.000557 0.022593 9.524107 4.891737 0.274812 -0.842667 10.656478 -1.125795 13.024106 0.002022 447 C 5.227909 8.818238 20.401445 0.164030 31.658892 0.37500535E+03 0.85134269E+04 8.887847 6.605291 -0.110971 1.987206 0.999522 25.823970 73.429818 0.618389 0.436292 -1.049775 0.007220 0.048632 0.011534 0.050499 0.008748 0.005016 0.007099 0.012622 -0.079933 -0.028303 0.003036 0.025267 10.137690 4.650236 0.120675 -0.511200 12.299082 -2.966642 13.463754 0.002196 448 C 5.183846 7.605941 21.201078 0.198523 32.797003 0.36629396E+03 0.82756688E+04 9.162385 6.568820 -0.123840 1.988360 0.999476 25.512492 72.619400 0.613700 0.441750 -1.045414 0.000750 -0.010113 0.047760 0.048825 0.006161 -0.003746 0.002446 0.056536 0.001368 -0.029430 0.000306 0.029124 10.824482 4.804407 0.336351 -0.002813 15.849131 -1.619795 11.819909 -0.000800 449 C 5.175317 6.294207 20.699206 -0.197104 34.048733 0.46461654E+03 0.11108507E+05 9.175041 7.231209 0.165014 2.037192 0.998848 29.583320 85.827717 0.606997 0.422045 -1.060404 -0.007618 -0.009268 0.002804 0.012320 0.001852 -0.006062 0.014568 0.105287 0.017764 -0.058970 0.008463 0.050507 10.410033 5.063616 0.389415 0.074536 16.598546 1.244263 9.567936 0.003364 450 C 5.151154 5.200391 21.549266 0.147763 35.845759 0.40516438E+03 0.93595413E+04 9.757415 6.876025 -0.217502 1.955756 0.999192 26.015782 74.150464 0.605910 0.437598 -1.051027 -0.011798 0.006684 -0.000624 0.013574 -0.003244 0.006154 -0.008325 0.027310 0.023315 -0.020097 0.003227 0.016871 12.629333 5.499366 0.235621 -0.064899 20.408853 5.584986 11.979781 -0.003755 451 C 5.136940 5.488126 22.922810 -0.193318 34.755400 0.48991500E+03 0.11917937E+05 9.471787 7.530327 -0.151776 1.933962 0.996795 30.369940 90.062167 0.580080 0.434048 -1.048730 -0.006894 -0.003915 -0.007596 0.010980 -0.003835 0.013479 -0.033959 0.046309 -0.084712 -0.054715 0.011917 0.042798 11.007350 5.725044 0.422412 -0.033275 14.180833 5.111451 13.116173 0.003826 452 C 5.166789 6.810438 23.383859 0.201797 31.518179 0.36767989E+03 0.83709593E+04 9.139283 6.721594 -0.387072 1.905412 0.998930 26.160896 76.412243 0.583841 0.460793 -1.027505 -0.000867 0.018032 -0.041374 0.045141 -0.002518 0.002814 -0.017095 0.036074 -0.027461 -0.028537 0.005109 0.023428 10.844751 5.213560 0.429046 0.207130 11.878556 3.055207 15.442138 -0.000699 453 C 5.192374 7.250504 0.754008 0.171414 31.514207 0.39935252E+03 0.92335658E+04 9.016853 6.902659 -0.248015 1.945423 0.999175 26.291121 76.081323 0.592087 0.447412 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0.83588457E+04 7.888256 6.435231 0.351573 2.118924 0.999448 27.436057 77.791275 0.644668 0.420138 -1.060020 0.016872 -0.029937 0.003572 0.034549 -0.000461 -0.002243 -0.003906 0.020818 -0.020850 -0.010996 -0.003127 0.014123 8.404458 4.423937 -0.315565 0.568265 9.255387 -0.653919 11.534049 0.003204 457 C 5.193796 9.048849 2.194788 0.103845 23.854868 0.30781970E+03 0.66752667E+04 7.291428 5.939445 0.276941 2.113856 0.999689 25.465545 71.595731 0.657215 0.429761 -1.050010 0.012269 -0.032227 -0.060320 0.069480 0.002953 0.002037 0.029107 0.045948 -0.119879 -0.055958 0.012583 0.043375 7.783532 4.103090 -0.153958 0.434182 8.586153 -0.480702 10.661353 0.000043 458 C 5.136940 3.804029 21.076210 0.063578 36.435443 0.41535834E+03 0.96522066E+04 9.826638 6.931552 -0.124891 1.984847 0.998990 26.540857 75.805048 0.607622 0.433780 -1.053618 -0.016475 -0.003635 0.008735 0.018999 -0.000438 -0.009419 0.005594 -0.025490 0.010941 -0.018674 0.003763 0.014911 12.909074 6.155859 -0.724669 1.021758 21.190628 6.479268 11.380734 0.000462 459 C 4.792961 3.505715 19.774706 -0.087775 33.526351 0.42823986E+03 0.10111904E+05 9.359365 7.107560 -0.167517 1.939356 0.998040 29.126440 86.176001 0.586374 0.442370 -1.039748 -0.000966 -0.034893 -0.012990 0.037245 0.002598 -0.009185 -0.022007 0.017679 0.009029 -0.027016 0.002880 0.024136 11.412097 6.313272 -0.323934 1.264543 16.771173 5.059473 11.151846 -0.000480 460 C 5.560517 2.746179 21.844626 -0.082485 31.458124 0.40109840E+03 0.92780360E+04 8.808364 6.795427 0.066655 2.014795 0.999352 28.345564 81.871082 0.613320 0.431732 -1.050515 -0.012238 -0.031726 -0.012140 0.036106 0.001933 0.000662 -0.002067 0.043281 0.057306 -0.031365 0.012130 0.019235 10.309917 5.652860 -1.029919 0.856007 16.101800 3.538558 9.175091 -0.000581 461 C 4.825653 2.238411 19.294446 -0.158306 33.776729 0.44178996E+03 0.10537982E+05 9.388218 7.220516 -0.274546 1.895825 0.997708 30.220148 90.553283 0.580247 0.442539 -1.037224 -0.000370 0.043691 0.002821 0.043784 0.000751 -0.003442 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26.247132 75.228807 0.622575 0.442870 -1.039851 0.005171 -0.034428 -0.031506 0.046953 0.009123 -0.004105 -0.004188 0.065029 -0.001968 -0.033834 -0.000875 0.034709 8.475986 4.757534 -0.909838 0.130762 12.108505 -0.792830 8.561919 0.000027 465 C 5.394213 19.496175 18.197051 0.146854 22.984318 0.30192799E+03 0.65392952E+04 7.199311 5.934068 0.080198 2.047476 0.999611 25.701602 73.062897 0.646615 0.437354 -1.041690 -0.001348 -0.013182 0.031604 0.034269 0.015779 0.004547 0.016762 0.078083 0.009192 -0.048421 0.006226 0.042195 7.830673 4.579057 -0.587282 -0.163279 9.470035 1.349843 9.442928 -0.000484 466 C 5.759513 12.082763 0.398616 0.589700 22.230488 0.25449014E+03 0.53285723E+04 7.404108 5.743354 -0.132626 2.013243 0.999476 22.931577 65.988677 0.601831 0.486062 -1.005549 -0.003408 -0.066362 -0.013126 0.067734 0.018477 -0.080376 -0.023571 0.064835 0.184393 -0.068180 -0.053973 0.122153 8.271314 7.486277 -0.439876 2.377955 11.497413 1.125271 5.830251 -0.001332 467 C 5.570467 13.534133 0.557102 -0.014905 32.413987 0.44634519E+03 0.10560119E+05 8.933205 7.125656 -0.113991 1.974234 0.999037 27.642385 79.652245 0.606873 0.426589 -1.058073 -0.006893 0.041901 0.014242 0.044789 0.007116 0.011317 0.003880 0.029581 -0.022074 -0.013545 -0.010991 0.024536 9.892522 5.373860 -1.317295 0.673497 14.828156 0.317761 9.475549 0.005023 468 C 5.419798 14.342330 23.494319 -0.153951 31.035133 0.48481170E+03 0.11815704E+05 8.805468 7.558887 -0.208265 1.899891 0.998806 31.055075 93.536477 0.568651 0.441951 -1.039349 -0.000210 0.021595 0.009209 0.023477 0.007626 0.001372 0.023142 0.049280 0.033767 -0.041280 0.016202 0.025078 9.298551 5.480419 -0.835475 0.821046 12.988956 -2.134918 9.426278 0.001428 469 C 5.615951 14.086331 1.849001 -0.128164 29.010250 0.46723508E+03 0.11246360E+05 8.332894 7.351774 -0.021156 1.962643 0.999079 30.281042 89.689037 0.586610 0.433791 -1.047576 0.002674 0.007618 -0.025117 0.026382 0.000827 0.004986 -0.020948 0.010122 0.067583 -0.025859 -0.006281 0.032141 8.580494 5.301206 -0.909448 0.374457 10.839651 1.715348 9.600626 0.001384 470 C 5.459597 15.442494 2.031500 -0.091218 29.651173 0.46127702E+03 0.11055244E+05 8.454915 7.289909 -0.010160 1.975623 0.998712 29.640933 87.290834 0.591542 0.432030 -1.049793 -0.005313 0.001544 -0.030261 0.030763 -0.005101 0.002192 -0.001071 -0.020695 0.082477 -0.025351 -0.002289 0.027640 8.866391 5.165251 -0.885152 -0.042523 10.351863 1.465838 11.082059 0.000920 471 C 5.348728 16.286659 0.871672 -0.112601 29.232576 0.44986653E+03 0.10742027E+05 8.391911 7.226946 -0.077641 1.950529 0.999171 30.018954 88.984488 0.589178 0.435369 -1.045087 0.001093 -0.022209 0.011634 0.025096 0.000928 -0.009595 -0.004140 0.010599 -0.088178 -0.031563 0.009541 0.022022 8.704884 4.843726 -0.380630 0.427147 8.865974 0.347575 12.404951 0.001783 472 C 5.331671 15.740808 23.660009 -0.012217 33.919823 0.45374367E+03 0.10748107E+05 9.150711 7.141729 -0.010456 2.002330 0.999372 27.598291 78.821716 0.613419 0.421529 -1.064321 0.008306 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9.226782 7.071747 0.070249 2.028534 0.999407 27.372707 77.392077 0.625168 0.415108 -1.071127 -0.026053 -0.022073 -0.024087 0.041787 -0.015911 0.002039 -0.013825 -0.016837 0.029270 -0.023874 -0.000838 0.024713 10.332962 12.869131 0.226133 2.854284 8.772123 3.125223 9.357633 0.002558 476 C 5.662858 13.159654 16.256801 -0.122382 31.423260 0.48100063E+03 0.11676908E+05 8.846506 7.492108 -0.144484 1.923832 0.998530 30.545658 91.238399 0.576541 0.437617 -1.043948 -0.032624 0.005030 -0.009090 0.034238 -0.001324 0.009425 -0.029174 0.013553 -0.005862 -0.033852 0.005482 0.028371 9.237143 11.350329 -1.038328 0.977957 8.285524 2.131333 8.075576 0.000961 477 C 3.660105 14.363487 16.693838 -0.156559 34.525505 0.48855550E+03 0.11898376E+05 9.375421 7.520335 -0.092809 1.930413 0.999604 31.001499 92.539077 0.579349 0.434102 -1.046779 0.015037 -0.008388 -0.015011 0.022843 -0.014719 -0.025238 -0.010369 -0.040038 0.033045 -0.043864 0.018799 0.025065 10.377777 15.384348 0.252809 3.081723 7.407391 1.629140 8.341591 0.001354 478 C 4.993378 12.402233 15.274669 -0.093190 28.713871 0.40973807E+03 0.94937601E+04 8.095015 6.742843 0.330846 2.087016 0.999786 28.557132 81.571682 0.635277 0.416113 -1.064119 -0.013272 0.027604 0.003418 0.030819 -0.012153 -0.000332 0.021381 -0.026917 0.043082 -0.027074 -0.006238 0.033311 8.489989 11.270848 -0.840376 1.172128 7.265615 1.712704 6.933503 0.000905 479 C 3.664369 12.613803 15.051348 -0.108779 29.755835 0.42242294E+03 0.98941658E+04 8.385195 6.925197 0.082938 2.000080 0.999694 29.306900 85.051738 0.614223 0.425743 -1.054670 0.018174 0.021661 0.003683 0.028514 0.017465 0.001399 0.007139 -0.028071 0.074188 -0.034827 0.007221 0.027606 8.823586 12.052129 -1.534631 0.694651 7.576796 1.689312 6.841832 0.001288 480 C 2.974990 13.567984 15.778942 -0.018570 35.449335 0.45625982E+03 0.10799383E+05 9.382678 7.136134 0.113765 2.042368 0.999417 27.442902 77.798616 0.618264 0.418548 -1.068509 0.045351 -0.003065 0.002319 0.045514 0.002031 -0.004909 0.003150 -0.000696 0.034489 -0.009416 -0.003712 0.013128 10.741553 16.905558 -1.641293 1.675277 7.721442 1.680898 7.597659 0.005561 481 C 1.492470 13.804942 15.570029 0.565185 21.719619 0.25947802E+03 0.54364987E+04 7.230897 5.748065 -0.047118 2.034016 0.999564 23.001405 65.306480 0.612228 0.477501 -1.014288 -0.056043 0.026950 0.009311 0.062879 0.025277 -0.020559 -0.059811 -0.128134 -0.020934 -0.067857 -0.039055 0.106913 8.058225 12.104013 -1.040675 1.224688 5.256258 0.823535 6.814405 -0.001200 482 C 12.418772 20.594224 15.452366 0.102007 25.185773 0.35310971E+03 0.79144818E+04 7.621709 6.422287 0.215947 2.095914 0.999326 26.040713 74.117254 0.623867 0.438027 -1.046376 0.010321 0.047478 -0.012791 0.050243 0.009747 -0.014344 0.005932 0.023249 -0.120093 -0.043939 0.006971 0.036968 8.011943 4.495962 -0.021911 0.330390 9.535316 -0.858190 10.004552 -0.001920 483 C 12.559490 20.475745 16.845120 -0.113355 29.190576 0.44112910E+03 0.10441141E+05 8.368379 7.129417 -0.016574 1.989147 0.998017 28.868185 84.121136 0.598894 0.432089 -1.051148 0.008114 0.011034 -0.000335 0.013701 0.000142 -0.002052 0.005156 0.004544 -0.014602 -0.008344 0.002933 0.005411 8.781340 4.740008 -0.091953 0.653141 10.614807 -1.149936 10.989206 0.004222 484 C 12.597868 0.473917 17.589523 -0.014031 26.792971 0.40317992E+03 0.93559925E+04 7.985809 6.881810 0.032929 2.013968 0.998811 27.910024 81.243695 0.599208 0.440492 -1.043272 0.000097 0.011424 -0.017653 0.021027 0.000864 -0.001345 -0.000422 0.017931 -0.007005 -0.007863 -0.002459 0.010321 8.296454 4.608945 -0.101816 0.789503 10.529803 -0.580557 9.750615 -0.003484 485 C 12.495527 1.715833 16.977191 -0.154985 31.830909 0.45014063E+03 0.10720724E+05 8.845092 7.192166 -0.069355 1.966209 0.997907 29.485436 86.510089 0.596798 0.430926 -1.050652 0.006512 -0.017817 0.018353 0.026394 -0.001162 -0.006611 0.008190 0.024982 -0.052533 -0.022036 -0.000557 0.022592 9.524117 4.891741 -0.274810 0.842671 10.656486 -1.125798 13.024124 0.002025 486 C 12.334909 1.760262 15.618055 0.164030 31.658934 0.37500575E+03 0.85134385E+04 8.887855 6.605294 -0.110973 1.987206 0.999522 25.823987 73.429883 0.618389 0.436292 -1.049775 0.007221 -0.048632 -0.011534 0.050500 -0.008748 -0.005016 0.007099 0.012621 -0.079934 -0.028303 0.003037 0.025266 10.137701 4.650239 -0.120675 0.511202 12.299094 -2.966651 13.463770 0.002193 487 C 12.290846 2.972558 14.818422 0.198523 32.797029 0.36629415E+03 0.82756744E+04 9.162390 6.568822 -0.123841 1.988359 0.999476 25.512502 72.619442 0.613700 0.441750 -1.045414 0.000751 0.010113 -0.047760 0.048825 -0.006161 0.003746 0.002446 0.056536 0.001369 -0.029430 0.000306 0.029124 10.824490 4.804409 -0.336350 0.002815 15.849137 -1.619811 11.819923 -0.000799 488 C 12.282317 4.284293 15.320294 -0.197105 34.048772 0.46461733E+03 0.11108531E+05 9.175051 7.231216 0.165013 2.037191 0.998848 29.583336 85.827792 0.606997 0.422045 -1.060404 -0.007616 0.009268 -0.002804 0.012319 -0.001852 0.006063 0.014568 0.105286 0.017764 -0.058970 0.008463 0.050507 10.410044 5.063621 -0.389414 -0.074533 16.598570 1.244260 9.567943 0.003362 489 C 12.258154 5.378109 14.470234 0.147763 35.845762 0.40516436E+03 0.93595417E+04 9.757419 6.876027 -0.217501 1.955756 0.999192 26.015786 74.150502 0.605909 0.437598 -1.051027 -0.011797 -0.006684 0.000624 0.013573 0.003244 -0.006153 -0.008325 0.027311 0.023316 -0.020098 0.003228 0.016870 12.629340 5.499367 -0.235618 0.064902 20.408867 5.584988 11.979786 -0.003751 490 C 12.243940 5.090374 13.096690 -0.193319 34.755400 0.48991493E+03 0.11917935E+05 9.471785 7.530324 -0.151772 1.933963 0.996795 30.369934 90.062128 0.580080 0.434048 -1.048730 -0.006893 0.003915 0.007596 0.010980 0.003835 -0.013479 -0.033959 0.046309 -0.084712 -0.054715 0.011917 0.042799 11.007348 5.725041 -0.422410 0.033277 14.180833 5.111450 13.116171 0.003823 491 C 12.273789 3.768062 12.635641 0.201797 31.518187 0.36767989E+03 0.83709589E+04 9.139283 6.721593 -0.387069 1.905413 0.998930 26.160893 76.412222 0.583841 0.460793 -1.027505 -0.000866 -0.018032 0.041374 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0.005287 2.021886 0.998942 26.762074 76.953956 0.614503 0.440527 -1.043125 0.018321 -0.019299 0.015706 0.030900 -0.009210 0.011023 0.002075 0.051240 -0.050945 -0.022739 -0.015003 0.037742 8.460828 4.640587 0.335633 -1.000912 9.403476 -0.739646 11.338422 -0.003332 495 C 12.403136 2.253221 8.755140 -0.114441 27.322003 0.36963072E+03 0.83588487E+04 7.888258 6.435232 0.351571 2.118923 0.999448 27.436074 77.791342 0.644668 0.420138 -1.060020 0.016872 0.029937 -0.003572 0.034549 0.000461 0.002244 -0.003906 0.020817 -0.020851 -0.010996 -0.003127 0.014123 8.404459 4.423937 0.315564 -0.568264 9.255400 -0.653916 11.534042 0.003204 496 C 12.300796 1.529651 9.811712 0.103845 23.854876 0.30781990E+03 0.66752723E+04 7.291431 5.939448 0.276939 2.113855 0.999689 25.465549 71.595754 0.657214 0.429761 -1.050010 0.012269 0.032226 0.060319 0.069480 -0.002953 -0.002037 0.029107 0.045948 -0.119879 -0.055958 0.012583 0.043375 7.783535 4.103091 0.153957 -0.434181 8.586160 -0.480705 10.661355 0.000044 497 C 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3.956359 17.498273 -0.555412 33.332919 0.52727607E+03 0.12545663E+05 8.034802 7.024982 1.071182 2.396556 0.998226 27.139797 69.725111 0.733444 0.350981 -1.151679 0.016033 0.012045 0.005193 0.020715 0.009428 -0.015280 0.073147 0.104218 0.008565 -0.105464 0.045500 0.059964 8.613671 10.528844 1.723827 3.448741 7.003671 0.990786 8.308498 0.022042 615 O 13.278719 3.939433 19.548983 -0.587867 38.642922 0.64641294E+03 0.16264696E+05 9.067689 7.880582 0.334902 2.135009 0.997794 28.811118 77.365300 0.675666 0.360278 -1.138493 -0.020037 -0.010188 0.037647 0.043847 0.011767 -0.028977 -0.006659 -0.007830 -0.008616 -0.032023 -0.000569 0.032591 9.770324 13.642997 2.714703 -1.614674 7.692679 -0.598528 7.975296 0.059396 616 O 13.291511 2.735600 21.400386 -0.563934 28.887456 0.47204176E+03 0.10971257E+05 7.296062 6.639532 0.817396 2.295144 0.999432 27.561901 70.957020 0.752496 0.350208 -1.147456 0.007948 0.018282 -0.013063 0.023834 -0.055444 0.048528 0.039556 -0.083157 0.083466 -0.110433 0.042712 0.067722 7.530973 8.493222 -0.889463 2.434417 5.842515 -0.614873 8.257182 0.009882 617 O 4.977743 11.467094 23.611983 -0.557683 43.506267 0.69285359E+03 0.17804727E+05 9.953198 8.281697 -0.057996 2.011536 0.996129 29.137177 80.042531 0.642072 0.371218 -1.125791 0.045915 -0.009563 0.029747 0.055539 0.032702 -0.017337 0.027707 -0.040111 0.070445 -0.060258 0.014956 0.045302 10.915268 10.314183 2.502853 3.022594 13.622584 4.166582 8.809037 0.056308 618 O 6.610931 11.500945 1.138216 -0.603495 38.053973 0.67649331E+03 0.17210988E+05 8.951693 8.115369 0.294427 2.119995 0.996663 29.184125 78.723582 0.659446 0.365077 -1.135078 -0.023959 -0.009486 0.004494 0.026158 -0.032729 -0.014356 -0.054658 0.124640 0.077602 -0.107302 0.049764 0.057539 9.375657 12.313089 -2.057302 3.200841 8.634696 -1.326482 7.179185 0.000023 619 O 5.550567 16.051816 21.323544 -0.582888 37.522362 0.62813216E+03 0.15729989E+05 8.899471 7.788995 0.219479 2.094758 0.997668 28.946506 78.163346 0.675283 0.362196 -1.134222 -0.008151 0.022976 0.033804 0.041678 0.020093 -0.016259 0.022873 0.036347 0.090302 -0.051472 0.011104 0.040367 9.535720 6.877606 0.273396 -2.575548 7.040326 -1.498103 14.689227 0.048289 620 O 5.000485 17.833235 22.536201 -0.573278 30.819564 0.51516794E+03 0.12245557E+05 7.683358 6.988454 0.670601 2.247042 0.998177 28.047705 73.166966 0.724823 0.355504 -1.142470 0.024099 -0.011514 -0.012985 0.029697 0.007303 0.024148 0.004126 0.003329 -0.309533 -0.106878 0.044875 0.062003 7.970675 5.998378 -1.315735 0.059525 11.366193 -1.875276 6.547454 0.013837 621 O 5.220802 16.130097 18.216262 -0.578875 36.317768 0.55740707E+03 0.13489567E+05 8.562411 7.229109 0.634383 2.239421 0.999237 27.867777 72.934864 0.719867 0.351583 -1.147648 0.015981 -0.044770 0.004922 0.047791 -0.003375 -0.022212 0.005992 -0.050364 -0.022604 -0.037756 0.006702 0.031054 9.074191 6.866914 -0.871702 0.582372 12.301030 3.202571 8.054629 0.046115 622 O 6.700480 14.534859 18.521227 -0.555406 33.332652 0.52727090E+03 0.12545509E+05 8.034762 7.024951 1.071174 2.396556 0.998226 27.139663 69.724680 0.733445 0.350981 -1.151678 -0.016035 0.012046 -0.005193 0.020717 -0.009429 -0.015281 -0.073142 0.104215 0.008569 -0.105459 0.045498 0.059961 8.613626 10.528784 -1.723815 3.448719 7.003638 -0.990777 8.308455 0.022041 623 O 0.935281 14.517933 16.470517 -0.587860 38.642575 0.64640569E+03 0.16264471E+05 9.067647 7.880548 0.334889 2.135008 0.997794 28.810930 77.364734 0.675667 0.360279 -1.138492 0.020035 -0.010186 -0.037648 0.043847 -0.011767 -0.028976 0.006659 -0.007830 -0.008620 -0.032022 -0.000568 0.032590 9.770279 13.642930 -2.714694 -1.614666 7.692646 0.598528 7.975260 0.059403 624 O 0.922489 13.314100 14.619114 -0.563934 28.887436 0.47204128E+03 0.10971243E+05 7.296062 6.639532 0.817384 2.295140 0.999432 27.561878 70.956970 0.752496 0.350208 -1.147455 -0.007948 0.018283 0.013062 0.023834 0.055444 0.048529 -0.039555 -0.083155 0.083473 -0.110434 0.042714 0.067720 7.530974 8.493226 0.889460 2.434418 5.842513 0.614872 8.257183 0.009880 625 O 12.084743 20.268406 12.407517 -0.557683 43.506271 0.69285365E+03 0.17804729E+05 9.953199 8.281697 -0.057997 2.011536 0.996129 29.137178 80.042535 0.642072 0.371218 -1.125791 0.045915 0.009562 -0.029747 0.055538 -0.032702 0.017337 0.027707 -0.040111 0.070444 -0.060258 0.014956 0.045301 10.915269 10.314182 -2.502854 -3.022594 13.622586 4.166584 8.809038 0.056308 626 O 13.717931 20.234555 10.868284 -0.603496 38.053993 0.67649373E+03 0.17211001E+05 8.951697 8.115372 0.294425 2.119995 0.996663 29.184132 78.723611 0.659446 0.365077 -1.135078 -0.023959 0.009486 -0.004494 0.026157 0.032729 0.014356 -0.054658 0.124640 0.077603 -0.107302 0.049764 0.057538 9.375660 12.313092 2.057303 -3.200842 8.634700 -1.326483 7.179188 0.000024 627 O 12.657567 15.683684 14.695956 -0.582884 37.522036 0.62812440E+03 0.15729743E+05 8.899405 7.788932 0.219497 2.094767 0.997668 28.946370 78.162805 0.675288 0.362194 -1.134223 -0.008151 -0.022978 -0.033800 0.041676 -0.020098 0.016262 0.022875 0.036349 0.090311 -0.051478 0.011107 0.040372 9.535655 6.877552 -0.273397 2.575535 7.040276 -1.498099 14.689136 0.048278 628 O 12.107485 13.902265 13.483300 -0.573280 30.819557 0.51516786E+03 0.12245553E+05 7.683352 6.988450 0.670612 2.247045 0.998177 28.047726 73.166995 0.724824 0.355504 -1.142470 0.024100 0.011516 0.012989 0.029701 -0.007302 -0.024145 0.004125 0.003333 -0.309534 -0.106877 0.044874 0.062003 7.970667 5.998372 1.315734 -0.059522 11.366176 -1.875274 6.547455 0.013838 629 O 12.327802 15.605403 17.803238 -0.578890 36.317923 0.55740968E+03 0.13489646E+05 8.562426 7.229117 0.634378 2.239419 0.999237 27.867854 72.935118 0.719868 0.351583 -1.147649 0.015983 0.044769 -0.004929 0.047792 0.003374 0.022221 0.005994 -0.050370 -0.022614 -0.037767 0.006708 0.031059 9.074210 6.866922 0.871692 -0.582384 12.301052 3.202594 8.054656 0.046092 630 O 13.807480 17.200641 17.498273 -0.555408 33.332703 0.52727213E+03 0.12545544E+05 8.034763 7.024955 1.071186 2.396559 0.998226 27.139705 69.724786 0.733446 0.350981 -1.151679 -0.016038 -0.012049 0.005191 0.020721 0.009428 0.015281 -0.073140 0.104211 0.008574 -0.105456 0.045496 0.059960 8.613626 10.528776 1.723817 -3.448716 7.003648 -0.990769 8.308453 0.022049 631 O 8.042281 17.217567 19.548983 -0.587868 38.643026 0.64641579E+03 0.16264784E+05 9.067706 7.880602 0.334915 2.135012 0.997795 28.811171 77.365450 0.675665 0.360278 -1.138493 0.020039 0.010185 0.037648 0.043848 0.011764 0.028978 0.006658 -0.007835 -0.008625 -0.032026 -0.000564 0.032589 9.770338 13.643001 2.714702 1.614674 7.692697 0.598527 7.975317 0.059383 632 O 8.029489 18.421400 21.400386 -0.563936 28.887593 0.47204443E+03 0.10971336E+05 7.296093 6.639557 0.817380 2.295138 0.999432 27.561943 70.957227 0.752494 0.350208 -1.147455 -0.007946 -0.018282 -0.013062 0.023833 -0.055444 -0.048528 -0.039556 -0.083153 0.083473 -0.110433 0.042713 0.067720 7.531007 8.493265 -0.889469 -2.434438 5.842536 0.614871 8.257220 0.009884 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 15.993007 The total net atomic charge of the unit cell is -0.000004 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= 5216 The rms potential error without charges in kcal/mol is= 2.89762 The rms potential error with partial charges in kcal/mol is= 0.76732 The RRMSE value at monopole order= 0.26481 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.77245 The RRMSE value at monopole order with cloud penetration is= 0.26658 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.25092 The RRMSE value at dipole order= 0.08659 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.25194 The RRMSE value at dipole order with cloud penetration= 0.08695 ****************************************************** 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.