1392 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 32.244100 0.000000 0.000000 }, { 16.122050 27.924210 0.000000 }, { 16.122050 9.308070 26.327197 }] Zn 25.012071 11.035089 4.122049 0.629048 Zn 35.249573 23.756987 25.656117 0.629045 Zn 29.238627 32.107815 13.846263 0.629047 Zn 39.476129 7.564668 9.029965 0.629041 Zn 35.193468 13.442901 25.656117 0.629047 Zn 29.294732 28.669786 4.122049 0.629041 Zn 19.057230 17.878755 9.029965 0.629048 Zn 45.430970 14.473118 13.846263 0.629045 Zn 38.198940 30.404997 9.029965 0.629045 Zn 22.062703 9.267487 13.846263 0.629048 Zn 26.289260 18.648532 25.656117 0.629041 Zn 42.425497 16.143544 4.122049 0.629047 Zn 42.425497 21.088736 22.205148 0.629048 Zn 26.289260 18.583748 0.671080 0.629045 Zn 22.062703 27.964793 12.480934 0.629047 Zn 38.198940 6.827283 17.297232 0.629041 Zn 35.249573 13.475293 0.671080 0.629047 Zn 25.012071 26.197191 22.205148 0.629041 Zn 39.476129 29.667612 17.297232 0.629048 Zn 29.238627 5.124465 12.480934 0.629045 Zn 19.057230 19.353525 17.297232 0.629045 Zn 45.430970 22.759162 12.480934 0.629048 Zn 35.193468 23.789379 0.671080 0.629041 Zn 29.294732 8.562494 22.205148 0.629047 Zn 39.476129 26.197191 22.205148 0.629048 Zn 29.238627 13.475293 0.671080 0.629046 Zn 35.249573 5.124465 12.480934 0.629048 Zn 25.012071 29.667612 17.297232 0.629041 Zn 29.294732 23.789379 0.671080 0.629048 Zn 35.193468 8.562494 22.205148 0.629041 Zn 45.430970 19.353525 17.297232 0.629048 Zn 19.057230 22.759162 12.480934 0.629046 Zn 26.289260 6.827283 17.297232 0.629046 Zn 42.425497 27.964793 12.480934 0.629048 Zn 38.198940 18.583748 0.671080 0.629041 Zn 22.062703 21.088736 22.205148 0.629048 Zn 22.062703 16.143544 4.122049 0.629048 Zn 38.198940 18.648532 25.656117 0.629046 Zn 42.425497 9.267487 13.846263 0.629048 Zn 26.289260 30.404997 9.029965 0.629041 Zn 29.238627 23.756987 25.656117 0.629048 Zn 39.476129 11.035089 4.122049 0.629041 Zn 25.012071 7.564668 9.029965 0.629048 Zn 35.249573 32.107815 13.846263 0.629046 Zn 45.430970 17.878755 9.029965 0.629046 Zn 19.057230 14.473118 13.846263 0.629048 Zn 29.294732 13.442901 25.656117 0.629041 Zn 35.193468 28.669786 4.122049 0.629048 H 22.029169 10.317065 5.431301 0.113413 H 19.836570 9.825599 5.589264 0.095878 H 26.723910 8.384709 2.998668 0.102531 H 28.049143 7.131843 1.800780 0.094371 H 26.104823 12.424412 6.913522 0.111758 H 26.465957 13.902533 8.606361 0.101615 H 28.126528 11.007724 4.983738 0.107558 H 29.957993 10.840178 6.223749 0.099324 H 17.643972 12.588234 1.666512 0.113412 H 17.231247 11.575516 3.635786 0.095877 H 34.636612 27.041805 25.882267 0.102531 H 34.891341 29.206862 25.790122 0.094370 H 33.772470 22.145760 23.178464 0.111759 H 33.243667 20.570835 21.622527 0.101616 H 34.530207 25.167160 22.838843 0.107557 H 33.421010 25.751706 21.009103 0.099324 H 14.600128 5.767280 11.312797 0.113414 H 15.012853 7.286357 9.701572 0.095878 H 29.851588 33.415971 16.867835 0.102531 H 29.596859 34.050782 18.939786 0.094370 H 30.715730 29.234786 13.153068 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8.716935 0.107557 H 39.012137 25.163436 8.145635 0.099324 H 19.949425 9.760442 11.312797 0.113413 H 18.427503 9.358334 9.701572 0.095878 H 20.623326 9.144248 16.867835 0.102531 H 20.200929 8.606242 18.939786 0.094371 H 23.812268 11.983209 13.153068 0.111758 H 25.272926 13.437130 12.186859 0.101615 H 23.596232 10.983523 16.114877 0.107558 H 24.366866 12.709239 17.275907 0.099324 H 12.520384 8.986011 1.666512 0.113408 H 13.603786 9.134940 3.635786 0.095876 H 23.751004 16.475284 25.882267 0.102532 H 21.748645 15.613357 25.790122 0.094370 H 28.423174 18.174937 23.178464 0.111758 H 30.051501 18.504443 21.622527 0.101617 H 25.427697 17.320457 22.838843 0.107558 H 25.476063 16.067590 21.009103 0.099324 H 12.294675 13.919288 5.431301 0.113414 H 13.816597 12.266175 5.589264 0.095878 H 43.864874 18.951231 2.998668 0.102531 H 44.287271 20.725349 1.800780 0.094370 H 40.675932 16.395234 6.913522 0.111758 H 39.215274 15.968925 8.606361 0.101617 H 40.891968 18.854427 4.983738 0.107557 H 40.121334 20.524294 6.223749 0.099324 H 44.538775 23.312992 20.895896 0.113413 H 46.060697 24.966105 20.737933 0.095878 H 43.864874 18.281049 23.328529 0.102531 H 44.287271 16.506931 24.526417 0.094371 H 40.675932 20.837046 19.413675 0.111758 H 39.215274 21.263355 17.720836 0.101615 H 40.891968 18.377853 21.343459 0.107558 H 40.121334 16.707986 20.103448 0.099324 H 44.764484 28.246269 24.660685 0.113412 H 45.847886 28.097340 22.691411 0.095877 H 23.751004 20.756996 0.444930 0.102531 H 21.748645 21.618923 0.537075 0.094370 H 28.423174 19.057343 3.148733 0.111759 H 30.051501 18.727837 4.704670 0.101616 H 25.427697 19.911823 3.488354 0.107557 H 25.476063 21.164690 5.318094 0.099324 H 52.193525 27.471838 15.014400 0.113414 H 50.671603 27.873946 16.625625 0.095878 H 20.623326 28.088032 9.459362 0.102531 H 20.200929 28.626038 7.387411 0.094370 H 23.812268 25.249071 13.174129 0.111758 H 25.272926 23.795150 14.140338 0.101617 H 23.596232 26.248757 10.212320 0.107557 H 24.366866 24.523041 9.051290 0.099324 H 51.967816 32.665741 18.410609 0.113408 H 50.884414 30.759448 18.926622 0.095876 H 40.737196 7.338482 19.421573 0.102532 H 42.739555 7.712667 20.203491 0.094370 H 36.065026 9.321101 16.917857 0.111758 H 34.436699 10.678218 16.088550 0.101617 H 39.060503 9.926126 17.610262 0.107558 H 39.012137 12.068844 18.181562 0.099324 H 49.888072 24.644046 24.660685 0.113414 H 49.475347 25.656764 22.691411 0.095878 H 34.636612 10.190475 0.444930 0.102531 H 34.891341 8.025418 0.537075 0.094370 H 33.772470 15.086520 3.148733 0.111758 H 33.243667 16.661445 4.704670 0.101617 H 34.530207 12.065120 3.488354 0.107557 H 33.421010 11.480574 5.318094 0.099324 H 54.273269 26.915215 20.895896 0.113408 H 52.080670 27.406681 20.737933 0.095876 H 26.723910 28.847571 23.328529 0.102532 H 28.049143 30.100437 24.526417 0.094370 H 26.104823 24.807868 19.413675 0.111758 H 26.465957 23.329747 17.720836 0.101617 H 28.126528 26.224556 21.343459 0.107558 H 29.957993 26.392102 20.103448 0.099324 H 42.459031 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1.800780 0.094362 H 23.812268 16.395234 6.913522 0.111758 H 25.272926 15.968925 8.606361 0.101616 H 23.596232 18.854427 4.983738 0.107558 H 24.366866 20.524294 6.223749 0.099323 H 19.723716 8.986011 1.666512 0.113411 H 18.640314 9.134940 3.635786 0.095877 H 40.737196 16.475284 25.882267 0.102531 H 42.739555 15.613357 25.790122 0.094361 H 36.065026 18.174937 23.178464 0.111759 H 34.436699 18.504443 21.622527 0.101616 H 39.060503 17.320457 22.838843 0.107558 H 39.012137 16.067590 21.009103 0.099324 H 12.294675 9.760442 11.312797 0.113414 H 13.816597 9.358334 9.701572 0.095878 H 43.864874 9.144248 16.867835 0.102531 H 44.287271 8.606242 18.939786 0.094361 H 40.675932 11.983209 13.153068 0.111758 H 39.215274 13.437130 12.186859 0.101617 H 40.891968 10.983523 16.114877 0.107558 H 40.121334 12.709239 17.275907 0.099324 H 12.520384 4.566539 7.916588 0.113408 H 13.603786 6.472832 7.400575 0.095875 H 23.751004 29.893798 6.905624 0.102532 H 21.748645 29.519613 6.123706 0.094361 H 28.423174 27.911179 9.409340 0.111758 H 30.051501 26.554062 10.238647 0.101617 H 25.427697 27.306154 8.716935 0.107558 H 25.476063 25.163436 8.145635 0.099324 H 14.600128 12.588234 1.666512 0.113414 H 15.012853 11.575516 3.635786 0.095878 H 29.851588 27.041805 25.882267 0.102531 H 29.596859 29.206862 25.790122 0.094361 H 30.715730 22.145760 23.178464 0.111758 H 31.244533 20.570835 21.622527 0.101617 H 29.957993 25.167160 22.838843 0.107558 H 31.067190 25.751706 21.009103 0.099324 H 10.214931 10.317065 5.431301 0.113408 H 12.407530 9.825599 5.589264 0.095875 H 37.764290 8.384709 2.998668 0.102532 H 36.439057 7.131843 1.800780 0.094361 H 38.383377 12.424412 6.913522 0.111758 H 38.022243 13.902533 8.606361 0.101617 H 36.361672 11.007724 4.983738 0.107558 H 34.530207 10.840178 6.223749 0.099324 H 22.029169 8.559701 7.916588 0.113413 H 19.836570 8.544808 7.400575 0.095877 H 26.723910 5.622074 6.905624 0.102531 H 28.049143 4.075073 6.123706 0.094362 H 26.104823 10.659602 9.409340 0.111758 H 26.465957 12.748333 10.238647 0.101616 H 28.126528 8.367955 8.716935 0.107558 H 29.957993 9.481200 8.145635 0.099323 H 17.643972 5.767280 11.312797 0.113411 H 17.231247 7.286357 9.701572 0.095877 H 34.636612 33.415971 16.867835 0.102531 H 34.891341 34.050782 18.939786 0.094361 H 33.772470 29.234786 13.153068 0.111759 H 33.243667 27.242859 12.186859 0.101616 H 34.530207 29.921722 16.114877 0.107558 H 33.421010 28.391475 17.275907 0.099324 H 13.816597 14.797970 7.916588 0.113411 H 14.925794 12.906570 7.400575 0.095877 H 46.257386 20.332548 6.905624 0.102531 H 46.934512 22.253734 6.123706 0.094361 H 42.204302 17.277640 9.409340 0.111759 H 40.214842 16.546025 10.238647 0.101616 H 43.178074 20.174311 8.716935 0.107558 H 41.298243 21.203783 8.145635 0.099324 H 18.427503 12.396488 11.312797 0.113413 H 17.318306 11.279519 9.701572 0.095877 H 18.230814 13.288201 16.867835 0.102531 H 17.553688 13.191397 18.939786 0.094362 H 22.283898 14.630424 13.153068 0.111758 H 24.273358 15.168431 12.186859 0.101615 H 21.310126 14.943176 16.114877 0.107558 H 23.189957 14.747706 17.275907 0.099323 H 14.042306 6.349965 1.666512 0.113408 H 14.712983 7.213754 3.635786 0.095875 H 26.143516 12.331331 25.882267 0.102532 H 24.395886 11.028201 25.790122 0.094361 H 29.951544 15.527722 23.178464 0.111758 H 31.051068 16.773142 21.622527 0.101617 H 27.713804 13.360804 22.838843 0.107558 H 26.652973 14.029123 21.009103 0.099324 H 18.201794 3.687857 5.431301 0.113414 H 17.531117 5.832437 5.589264 0.095878 H 38.344684 28.512480 2.998668 0.102531 H 40.092314 27.991228 1.800780 0.094361 H 34.536656 27.028774 6.913522 0.111758 H 33.437132 25.976962 8.606361 0.101617 H 36.774396 25.986270 4.983738 0.107558 H 37.835227 24.483947 6.223749 0.099324 H 24.257236 10.162551 1.297931 0.074726 H 20.929645 15.926108 1.297931 0.074726 H 11.314455 6.532404 14.582634 0.074724 H 7.986864 4.611218 9.148701 0.074722 H 19.449641 1.835551 1.297931 0.074724 H 12.794459 1.835551 1.297931 0.074722 H 16.122050 18.701774 9.148701 0.074726 H 16.122050 14.859403 14.582634 0.074726 H 24.257236 4.611218 9.148701 0.074726 H 20.929645 6.532404 14.582634 0.074726 H 7.986864 10.162551 1.297931 0.074722 H 11.314455 15.926108 1.297931 0.074724 H 43.558555 21.306172 25.029266 0.074726 H 40.230964 27.069729 25.029266 0.074726 H 53.173745 30.699876 11.744563 0.074724 H 56.501336 32.621062 17.178496 0.074722 H 53.173745 21.306172 25.029266 0.074724 H 56.501336 27.069729 25.029266 0.074722 H 40.230964 32.621062 17.178496 0.074726 H 43.558555 30.699876 11.744563 0.074726 H 48.366150 18.530506 17.178496 0.074726 H 48.366150 22.372877 11.744563 0.074726 H 51.693741 35.396729 25.029266 0.074722 H 45.038559 35.396729 25.029266 0.074724 H 26.643300 13.115071 2.414204 0.086870 H 37.844900 24.117209 23.912993 0.086870 H 26.643300 30.584456 14.766925 0.086873 H 37.844900 6.647824 11.560272 0.086873 H 34.207766 11.015170 23.912993 0.086873 H 30.280434 26.217110 2.414204 0.086873 H 19.078834 19.749863 11.560272 0.086870 H 45.409366 17.482417 14.766925 0.086870 H 39.808566 29.450733 11.560272 0.086870 H 24.679634 7.781547 14.766925 0.086870 H 24.679634 20.716041 23.912993 0.086873 H 39.808566 16.516239 2.414204 0.086873 H 39.808566 20.716041 23.912993 0.086870 H 24.679634 16.516239 2.414204 0.086870 H 24.679634 29.450733 11.560272 0.086873 H 39.808566 7.781547 14.766925 0.086873 H 37.844900 13.115071 2.414204 0.086873 H 26.643300 24.117209 23.912993 0.086873 H 37.844900 30.584456 14.766925 0.086870 H 26.643300 6.647824 11.560272 0.086870 H 19.078834 17.482417 14.766925 0.086870 H 45.409366 19.749863 11.560272 0.086870 H 34.207766 26.217110 2.414204 0.086873 H 30.280434 11.015170 23.912993 0.086873 H 23.148039 13.364527 3.412005 0.075902 H 21.052173 12.154478 -0.010531 0.075900 H 11.191927 4.041564 11.462862 0.075903 H 9.096061 7.671711 11.462862 0.075903 H 16.122050 3.615254 -0.010531 0.075903 H 16.122050 1.195156 3.412005 0.075903 H 18.217916 16.210935 11.462862 0.075902 H 14.026184 16.210935 11.462862 0.075900 H 21.052173 4.041564 11.462862 0.075900 H 23.148039 7.671711 11.462862 0.075902 H 11.191927 12.154478 -0.010531 0.075903 H 9.096061 13.364527 3.412005 0.075903 H 41.340161 23.867753 22.915192 0.075902 H 27.313977 15.769732 0.010531 0.075900 H 23.148039 29.560569 14.864335 0.075903 H 37.174223 5.266506 14.864335 0.075903 H 37.174223 15.769732 0.010531 0.075903 H 23.148039 23.867753 22.915192 0.075903 H 41.340161 29.560569 14.864335 0.075902 H 27.313977 5.266506 14.864335 0.075900 H 18.217916 21.021345 14.864335 0.075900 H 46.270283 21.021345 14.864335 0.075902 H 32.244100 24.308956 0.010531 0.075903 H 32.244100 8.112914 22.915192 0.075903 H 24.086343 8.958087 6.334324 0.073167 H 16.122050 14.256240 0.326457 0.073169 H 16.122050 5.059867 13.332093 0.073169 H 8.157757 8.958087 6.334324 0.073169 H 20.407291 6.833985 0.326457 0.073169 H 11.836809 2.585782 6.334324 0.073169 H 19.801102 16.380342 6.334324 0.073167 H 12.442998 11.432172 13.332093 0.073169 H 20.407291 2.585782 6.334324 0.073169 H 19.801102 11.432172 13.332093 0.073167 H 11.836809 6.833985 0.326457 0.073169 H 12.442998 16.380342 6.334324 0.073169 H 44.687098 20.851938 19.992873 0.073167 H 44.080909 30.398295 26.000740 0.073169 H 52.045202 25.800108 12.995104 0.073169 H 52.651391 34.646498 19.992873 0.073169 H 48.366150 22.976040 26.000740 0.073169 H 56.330443 28.274193 19.992873 0.073169 H 40.401857 28.274193 19.992873 0.073167 H 48.366150 32.172413 12.995104 0.073169 H 52.045202 20.851938 19.992873 0.073169 H 44.687098 25.800108 12.995104 0.073167 H 52.651391 30.398295 26.000740 0.073169 H 44.080909 34.646498 19.992873 0.073169 C 22.174268 10.035961 3.483088 0.148454 C 21.555181 10.073193 4.670445 -0.185362 C 20.271866 9.771612 4.765223 -0.097875 C 27.281733 10.147658 2.306262 0.141839 C 27.317202 8.794265 2.411571 -0.177227 C 28.123304 8.057065 1.748126 -0.077076 C 24.850528 13.554412 5.892027 0.148760 C 25.669528 13.245384 6.905624 -0.181177 C 25.869441 14.109173 7.919221 -0.101133 C 26.936721 9.874001 6.152666 0.133447 C 28.110406 10.499503 5.765656 -0.169664 C 29.187359 10.384083 6.473858 -0.100044 C 19.072385 13.777805 2.329957 0.148455 C 18.124409 12.835829 2.422102 -0.185361 C 17.872905 12.251282 3.580499 -0.097875 C 36.219798 26.514968 24.826547 0.141839 C 35.352431 27.388065 25.400480 -0.177227 C 35.468510 28.657686 25.310967 -0.077078 C 35.258923 21.149797 24.010404 0.148760 C 34.252907 21.350851 23.149504 -0.181177 C 33.924018 20.412598 22.241216 -0.101133 C 32.921226 24.685002 23.955117 0.133446 C 33.598352 25.128066 22.830945 -0.169664 C 32.953470 25.492942 21.769959 -0.100044 C 13.171715 6.789306 12.213187 0.148452 C 14.119691 6.562189 11.294368 -0.185362 C 14.371195 7.459487 10.357119 -0.097875 C 28.268402 32.245016 16.723036 0.141839 C 29.135769 33.077158 17.354888 -0.177226 C 29.019690 33.415971 18.581736 -0.077076 C 29.229277 29.687158 11.936751 0.148759 C 30.235293 28.942513 12.413273 -0.181177 C 30.564182 27.773419 11.831442 -0.101133 C 31.566974 30.813435 15.288203 0.133446 C 30.889848 29.901244 16.080652 -0.169664 C 31.534730 29.022562 16.778323 -0.100044 C 10.069832 6.629207 8.300965 0.148439 C 10.688919 7.761069 7.940283 -0.185339 C 11.972234 7.749899 7.624356 -0.097881 C 37.206467 5.556918 8.798549 0.141839 C 37.170998 5.205073 7.487455 -0.177226 C 36.364896 4.333837 7.013565 -0.077077 C 39.637672 10.073193 10.815213 0.148759 C 38.818672 10.925813 10.185993 -0.181180 C 38.618759 12.169371 10.662515 -0.101132 C 37.551479 9.092123 7.258408 0.133446 C 36.377794 8.935747 7.977141 -0.169664 C 35.300841 9.564973 7.632254 -0.100043 C 18.517787 4.518137 2.329957 0.148452 C 18.175999 5.810097 2.422102 -0.185362 C 17.795519 6.320180 3.580499 -0.097875 C 37.096837 11.223671 24.826547 0.141839 C 38.286644 11.538284 25.400480 -0.177226 C 39.328129 10.802946 25.310967 -0.077076 C 32.930899 14.738398 24.010404 0.148759 C 33.608025 15.509106 23.149504 -0.181178 C 32.959919 16.263060 22.241216 -0.101133 C 37.161325 14.995301 23.955117 0.133446 C 37.206467 14.187360 22.830945 -0.169664 C 37.844900 14.563406 21.769959 -0.100044 C 13.726313 3.702750 3.483088 0.148439 C 14.068101 4.220279 4.670445 -0.185339 C 14.448581 5.482453 4.765223 -0.097881 C 27.391363 27.147917 2.306262 0.141839 C 26.201556 27.793897 2.411571 -0.177226 C 25.160071 27.464391 1.748126 -0.077077 C 31.557301 27.550026 5.892027 0.148759 C 30.880175 26.995265 6.905624 -0.181180 C 31.528281 26.390240 7.919221 -0.101132 C 27.326875 27.583535 6.152666 0.133447 C 27.281733 26.254342 5.765656 -0.169664 C 26.643300 25.379384 6.473858 -0.100043 C 16.828196 15.888875 8.300965 0.148454 C 17.498873 14.786800 7.940283 -0.185362 C 16.847542 13.681001 7.624356 -0.097875 C 18.453298 20.848215 8.798549 0.141839 C 18.166326 21.054854 7.487455 -0.177227 C 17.814865 22.188577 7.013565 -0.077076 C 21.148905 16.484592 10.815213 0.148760 C 22.296795 16.767557 10.185993 -0.181177 C 23.473705 16.318908 10.662515 -0.101133 C 21.342370 18.781824 7.258408 0.133447 C 21.793787 19.876453 7.977141 -0.169664 C 22.877189 20.494509 7.632254 -0.100044 C 15.415904 13.122517 12.213187 0.148455 C 14.745227 12.415104 11.294368 -0.185361 C 15.396558 11.748646 10.357119 -0.097875 C 46.034902 15.244757 16.723036 0.141839 C 46.321874 14.077525 17.354888 -0.177227 C 46.673335 14.008645 18.581736 -0.077078 C 43.339295 15.691544 11.936751 0.148760 C 42.191405 15.192632 12.413273 -0.181177 C 41.014495 15.492352 11.831442 -0.101133 C 43.145830 13.103901 15.288203 0.133446 C 42.694413 14.146405 16.080652 -0.169664 C 41.611011 14.027261 16.778323 -0.100044 C 21.468122 5.406127 8.300965 0.148455 C 20.178358 5.376341 7.940283 -0.185361 C 19.546373 6.493310 7.624356 -0.097875 C 41.072535 29.443287 8.798549 0.141839 C 41.394976 29.588493 7.487455 -0.177227 C 42.552539 29.326005 7.013565 -0.077078 C 35.945723 29.290635 10.815213 0.148760 C 35.616833 28.155050 10.185993 -0.181177 C 34.639837 27.360141 10.662515 -0.101133 C 37.838451 27.974474 7.258408 0.133446 C 38.560719 27.036220 7.977141 -0.169664 C 38.554270 25.788939 7.632254 -0.100044 C 19.778531 8.012387 12.213187 0.148454 C 19.501232 8.946917 11.294368 -0.185362 C 18.598397 8.716077 10.357119 -0.097875 C 22.428996 8.358647 16.723036 0.141839 C 21.274657 8.693737 17.354888 -0.177227 C 21.039275 8.423803 18.581736 -0.077076 C 24.163729 10.469717 11.936751 0.148760 C 24.305603 11.713275 12.413273 -0.181177 C 25.153622 12.582649 11.831442 -0.101133 C 22.019496 11.931084 15.288203 0.133447 C 23.148039 11.800771 16.080652 -0.169664 C 23.586559 12.798596 16.778323 -0.100044 C 10.775978 9.628268 2.329957 0.148439 C 12.065742 9.278284 2.422102 -0.185339 C 12.697727 9.352749 3.580499 -0.097881 C 23.415665 18.109781 24.826547 0.141839 C 23.093224 16.922071 25.400480 -0.177226 C 21.935661 16.387788 25.310967 -0.077077 C 28.542477 19.960225 24.010404 0.148759 C 28.871367 18.988463 23.149504 -0.181180 C 29.848363 19.172763 22.241216 -0.101132 C 26.649749 16.168118 23.955117 0.133447 C 25.927481 16.532994 22.830945 -0.169664 C 25.933930 15.792072 21.769959 -0.100043 C 12.465569 14.185499 3.483088 0.148452 C 12.742868 13.630738 4.670445 -0.185362 C 13.645703 12.670145 4.765223 -0.097875 C 42.059204 18.552845 2.306262 0.141839 C 43.213543 19.260258 2.411571 -0.177226 C 43.448925 20.326963 1.748126 -0.077076 C 40.324471 14.743983 5.892027 0.148759 C 40.182597 15.607772 6.905624 -0.181178 C 39.334578 15.349007 7.919221 -0.101133 C 42.468704 18.390885 6.152666 0.133446 C 41.340161 19.094575 5.765656 -0.169664 C 40.901641 20.084953 6.473858 -0.100044 C 44.709669 23.046781 22.844109 0.148454 C 44.986968 23.601542 21.656752 -0.185362 C 45.889803 24.562135 21.561974 -0.097875 C 42.059204 18.679435 24.020935 0.141839 C 43.213543 17.972022 23.915626 -0.177227 C 43.448925 16.905317 24.579071 -0.077076 C 40.324471 22.488297 20.435170 0.148760 C 40.182597 21.624508 19.421573 -0.181177 C 39.334578 21.883273 18.407976 -0.101133 C 42.468704 18.841395 20.174531 0.133447 C 41.340161 18.137705 20.561541 -0.169664 C 40.901641 17.147327 19.853339 -0.100044 C 43.020078 27.604012 23.997240 0.148455 C 44.309842 27.953996 23.905095 -0.185361 C 44.941827 27.879531 22.746698 -0.097875 C 23.415665 19.122499 1.500650 0.141839 C 23.093224 20.310209 0.926717 -0.177227 C 21.935661 20.844492 1.016230 -0.077078 C 28.542477 17.272055 2.316793 0.148760 C 28.871367 18.243817 3.177693 -0.181177 C 29.848363 18.059517 4.085981 -0.101133 C 26.649749 21.064162 2.372080 0.133446 C 25.927481 20.699286 3.496252 -0.169664 C 25.933930 21.440208 4.557238 -0.100044 C 52.022631 29.219893 14.114010 0.148452 C 51.745332 28.285363 15.032829 -0.185362 C 50.842497 28.516203 15.970078 -0.097875 C 22.428996 28.873633 9.604161 0.141839 C 21.274657 28.538543 8.972309 -0.177226 C 21.039275 28.808477 7.745461 -0.077076 C 24.163729 26.762563 14.390446 0.148759 C 24.305603 25.519005 13.913924 -0.181178 C 25.153622 24.649631 14.495755 -0.101133 C 22.019496 25.301196 11.038994 0.133446 C 23.148039 25.431509 10.246545 -0.169664 C 23.586559 24.433684 9.548874 -0.100044 C 53.712222 31.826153 18.026232 0.148439 C 52.422458 31.855939 18.386914 -0.185339 C 51.790473 30.738970 18.702841 -0.097881 C 41.072535 7.788993 17.528648 0.141839 C 41.394976 7.643787 18.839742 -0.177226 C 42.552539 7.906275 19.313632 -0.077077 C 35.945723 7.941645 15.511984 0.148759 C 35.616833 9.077230 16.141204 -0.181180 C 34.639837 9.872139 15.664682 -0.101132 C 37.838451 9.257806 19.068789 0.133446 C 38.560719 10.196060 18.350056 -0.169664 C 38.554270 11.443341 18.694943 -0.100043 C 51.316485 23.454475 23.997240 0.148452 C 50.368509 24.396451 23.905095 -0.185362 C 50.117005 24.980998 22.746698 -0.097875 C 36.219798 10.717312 1.500650 0.141839 C 35.352431 9.844215 0.926717 -0.177226 C 35.468510 8.574594 1.016230 -0.077076 C 35.258923 16.082483 2.316793 0.148759 C 34.252907 15.881429 3.177693 -0.181178 C 33.924018 16.819682 4.085981 -0.101133 C 32.921226 12.547278 2.372080 0.133446 C 33.598352 12.104214 3.496252 -0.169664 C 32.953470 11.739338 4.557238 -0.100044 C 54.418368 27.196319 22.844109 0.148439 C 53.799281 27.159087 21.656752 -0.185339 C 52.515966 27.460668 21.561974 -0.097881 C 27.281733 27.084622 24.020935 0.141839 C 27.317202 28.438015 23.915626 -0.177226 C 28.123304 29.175215 24.579071 -0.077077 C 24.850528 23.677868 20.435170 0.148759 C 25.669528 23.986896 19.421573 -0.181180 C 25.869441 23.123107 18.407976 -0.101132 C 26.936721 27.358279 20.174531 0.133447 C 28.110406 26.732777 20.561541 -0.169664 C 29.187359 26.848197 19.853339 -0.100043 C 42.313932 30.603073 18.026232 0.148454 C 42.933019 29.471211 18.386914 -0.185362 C 44.216334 29.482381 18.702841 -0.097875 C 37.206467 31.675362 17.528648 0.141839 C 37.170998 32.027207 18.839742 -0.177227 C 36.364896 32.898443 19.313632 -0.077076 C 39.637672 27.159087 15.511984 0.148760 C 38.818672 26.306467 16.141204 -0.181177 C 38.618759 25.062909 15.664682 -0.101133 C 37.551479 28.140157 19.068789 0.133447 C 36.377794 28.296533 18.350056 -0.169664 C 35.300841 27.667307 18.694943 -0.100044 C 45.415815 30.442974 14.114010 0.148455 C 46.363791 30.670091 15.032829 -0.185361 C 46.615295 29.772793 15.970078 -0.097875 C 28.268402 4.987264 9.604161 0.141839 C 29.135769 4.155122 8.972309 -0.177227 C 29.019690 3.816309 7.745461 -0.077078 C 29.229277 7.545122 14.390446 0.148760 C 30.235293 8.289767 13.913924 -0.181177 C 30.564182 9.458861 14.495755 -0.101133 C 31.566974 6.418845 11.038994 0.133446 C 30.889848 7.331036 10.246545 -0.169664 C 31.534730 8.209718 9.548874 -0.100044 C 49.072296 21.343405 18.026232 0.148455 C 49.742973 22.445480 18.386914 -0.185361 C 49.091642 23.551279 18.702841 -0.097875 C 18.453298 16.384065 17.528648 0.141839 C 18.166326 16.177426 18.839742 -0.177227 C 17.814865 15.043703 19.313632 -0.077078 C 21.148905 20.747688 15.511984 0.148760 C 22.296795 20.464723 16.141204 -0.181177 C 23.473705 20.913372 15.664682 -0.101133 C 21.342370 18.450456 19.068789 0.133446 C 21.793787 17.355827 18.350056 -0.169664 C 22.877189 16.737771 18.694943 -0.100044 C 47.660004 24.109763 14.114010 0.148454 C 46.989327 24.817176 15.032829 -0.185362 C 47.640658 25.483634 15.970078 -0.097875 C 46.034902 21.987523 9.604161 0.141839 C 46.321874 23.154755 8.972309 -0.177227 C 46.673335 23.223635 7.745461 -0.077076 C 43.339295 21.540736 14.390446 0.148760 C 42.191405 22.039648 13.913924 -0.181177 C 41.014495 21.739928 14.495755 -0.101133 C 43.145830 24.128379 11.038994 0.133447 C 42.694413 23.085875 10.246545 -0.169664 C 41.611011 23.205019 9.548874 -0.100044 C 50.761887 32.714143 23.997240 0.148439 C 50.420099 31.422183 23.905095 -0.185339 C 50.039619 30.912100 22.746698 -0.097881 C 37.096837 26.008609 1.500650 0.141839 C 38.286644 25.693996 0.926717 -0.177226 C 39.328129 26.429334 1.016230 -0.077077 C 32.930899 22.493882 2.316793 0.148759 C 33.608025 21.723174 3.177693 -0.181180 C 32.959919 20.969220 4.085981 -0.101132 C 37.161325 22.236979 2.372080 0.133447 C 37.206467 23.044920 3.496252 -0.169664 C 37.844900 22.668874 4.557238 -0.100043 C 45.970413 33.529530 22.844109 0.148452 C 46.312201 33.012001 21.656752 -0.185362 C 46.692681 31.749827 21.561974 -0.097875 C 27.391363 10.084363 24.020935 0.141839 C 26.201556 9.438383 23.915626 -0.177226 C 25.160071 9.767889 24.579071 -0.077076 C 31.557301 9.682254 20.435170 0.148759 C 30.880175 10.237015 19.421573 -0.181177 C 31.528281 10.842040 18.407976 -0.101133 C 27.326875 9.648745 20.174531 0.133446 C 27.281733 10.977938 20.561541 -0.169664 C 26.643300 11.852896 19.853339 -0.100044 C 42.313932 27.196319 22.844109 0.148454 C 42.933019 27.159087 21.656752 -0.185362 C 44.216334 27.460668 21.561974 -0.097875 C 37.206467 27.084622 24.020935 0.141842 C 37.170998 28.438015 23.915626 -0.177245 C 36.364896 29.175215 24.579071 -0.076928 C 39.637672 23.677868 20.435170 0.148773 C 38.818672 23.986896 19.421573 -0.181179 C 38.618759 23.123107 18.407976 -0.101133 C 37.551479 27.358279 20.174531 0.133467 C 36.377794 26.732777 20.561541 -0.169666 C 35.300841 26.848197 19.853339 -0.100044 C 45.415815 23.454475 23.997240 0.148454 C 46.363791 24.396451 23.905095 -0.185361 C 46.615295 24.980998 22.746698 -0.097875 C 28.268402 10.717312 1.500650 0.141842 C 29.135769 9.844215 0.926717 -0.177246 C 29.019690 8.574594 1.016230 -0.076930 C 29.229277 16.082483 2.316793 0.148772 C 30.235293 15.881429 3.177693 -0.181179 C 30.564182 16.819682 4.085981 -0.101132 C 31.566974 12.547278 2.372080 0.133467 C 30.889848 12.104214 3.496252 -0.169666 C 31.534730 11.739338 4.557238 -0.100044 C 51.316485 30.442974 14.114010 0.148451 C 50.368509 30.670091 15.032829 -0.185362 C 50.117005 29.772793 15.970078 -0.097874 C 36.219798 4.987264 9.604161 0.141843 C 35.352431 4.155122 8.972309 -0.177245 C 35.468510 3.816309 7.745461 -0.076928 C 35.258923 7.545122 14.390446 0.148772 C 34.252907 8.289767 13.913924 -0.181179 C 33.924018 9.458861 14.495755 -0.101133 C 32.921226 6.418845 11.038994 0.133467 C 33.598352 7.331036 10.246545 -0.169666 C 32.953470 8.209718 9.548874 -0.100044 C 54.418368 30.603073 18.026232 0.148439 C 53.799281 29.471211 18.386914 -0.185339 C 52.515966 29.482381 18.702841 -0.097881 C 27.281733 31.675362 17.528648 0.141843 C 27.317202 32.027207 18.839742 -0.177245 C 28.123304 32.898443 19.313632 -0.076929 C 24.850528 27.159087 15.511984 0.148772 C 25.669528 26.306467 16.141204 -0.181181 C 25.869441 25.062909 15.664682 -0.101132 C 26.936721 28.140157 19.068789 0.133467 C 28.110406 28.296533 18.350056 -0.169667 C 29.187359 27.667307 18.694943 -0.100043 C 45.970413 32.714143 23.997240 0.148452 C 46.312201 31.422183 23.905095 -0.185362 C 46.692681 30.912100 22.746698 -0.097874 C 27.391363 26.008609 1.500650 0.141843 C 26.201556 25.693996 0.926717 -0.177245 C 25.160071 26.429334 1.016230 -0.076929 C 31.557301 22.493882 2.316793 0.148772 C 30.880175 21.723174 3.177693 -0.181179 C 31.528281 20.969220 4.085981 -0.101133 C 27.326875 22.236979 2.372080 0.133467 C 27.281733 23.044920 3.496252 -0.169666 C 26.643300 22.668874 4.557238 -0.100044 C 50.761887 33.529530 22.844109 0.148439 C 50.420099 33.012001 21.656752 -0.185339 C 50.039619 31.749827 21.561974 -0.097881 C 37.096837 10.084363 24.020935 0.141843 C 38.286644 9.438383 23.915626 -0.177245 C 39.328129 9.767889 24.579071 -0.076929 C 32.930899 9.682254 20.435170 0.148772 C 33.608025 10.237015 19.421573 -0.181181 C 32.959919 10.842040 18.407976 -0.101132 C 37.161325 9.648745 20.174531 0.133467 C 37.206467 10.977938 20.561541 -0.169667 C 37.844900 11.852896 19.853339 -0.100043 C 47.660004 21.343405 18.026232 0.148454 C 46.989327 22.445480 18.386914 -0.185362 C 47.640658 23.551279 18.702841 -0.097875 C 46.034902 16.384065 17.528648 0.141842 C 46.321874 16.177426 18.839742 -0.177245 C 46.673335 15.043703 19.313632 -0.076928 C 43.339295 20.747688 15.511984 0.148773 C 42.191405 20.464723 16.141204 -0.181179 C 41.014495 20.913372 15.664682 -0.101133 C 43.145830 18.450456 19.068789 0.133467 C 42.694413 17.355827 18.350056 -0.169666 C 41.611011 16.737771 18.694943 -0.100044 C 49.072296 24.109763 14.114010 0.148454 C 49.742973 24.817176 15.032829 -0.185361 C 49.091642 25.483634 15.970078 -0.097875 C 18.453298 21.987523 9.604161 0.141842 C 18.166326 23.154755 8.972309 -0.177246 C 17.814865 23.223635 7.745461 -0.076930 C 21.148905 21.540736 14.390446 0.148772 C 22.296795 22.039648 13.913924 -0.181179 C 23.473705 21.739928 14.495755 -0.101132 C 21.342370 24.128379 11.038994 0.133467 C 21.793787 23.085875 10.246545 -0.169666 C 22.877189 23.205019 9.548874 -0.100044 C 43.020078 31.826153 18.026232 0.148454 C 44.309842 31.855939 18.386914 -0.185361 C 44.941827 30.738970 18.702841 -0.097875 C 23.415665 7.788993 17.528648 0.141842 C 23.093224 7.643787 18.839742 -0.177246 C 21.935661 7.906275 19.313632 -0.076930 C 28.542477 7.941645 15.511984 0.148772 C 28.871367 9.077230 16.141204 -0.181179 C 29.848363 9.872139 15.664682 -0.101132 C 26.649749 9.257806 19.068789 0.133467 C 25.927481 10.196060 18.350056 -0.169666 C 25.933930 11.443341 18.694943 -0.100044 C 44.709669 29.219893 14.114010 0.148454 C 44.986968 28.285363 15.032829 -0.185362 C 45.889803 28.516203 15.970078 -0.097875 C 42.059204 28.873633 9.604161 0.141842 C 43.213543 28.538543 8.972309 -0.177245 C 43.448925 28.808477 7.745461 -0.076928 C 40.324471 26.762563 14.390446 0.148773 C 40.182597 25.519005 13.913924 -0.181179 C 39.334578 24.649631 14.495755 -0.101133 C 42.468704 25.301196 11.038994 0.133467 C 41.340161 25.431509 10.246545 -0.169666 C 40.901641 24.433684 9.548874 -0.100044 C 53.712222 27.604012 23.997240 0.148439 C 52.422458 27.953996 23.905095 -0.185339 C 51.790473 27.879531 22.746698 -0.097881 C 41.072535 19.122499 1.500650 0.141843 C 41.394976 20.310209 0.926717 -0.177245 C 42.552539 20.844492 1.016230 -0.076929 C 35.945723 17.272055 2.316793 0.148772 C 35.616833 18.243817 3.177693 -0.181181 C 34.639837 18.059517 4.085981 -0.101132 C 37.838451 21.064162 2.372080 0.133467 C 38.560719 20.699286 3.496252 -0.169667 C 38.554270 21.440208 4.557238 -0.100043 C 52.022631 23.046781 22.844109 0.148451 C 51.745332 23.601542 21.656752 -0.185362 C 50.842497 24.562135 21.561974 -0.097874 C 22.428996 18.679435 24.020935 0.141843 C 21.274657 17.972022 23.915626 -0.177245 C 21.039275 16.905317 24.579071 -0.076929 C 24.163729 22.488297 20.435170 0.148772 C 24.305603 21.624508 19.421573 -0.181179 C 25.153622 21.883273 18.407976 -0.101133 C 22.019496 18.841395 20.174531 0.133467 C 23.148039 18.137705 20.561541 -0.169666 C 23.586559 17.147327 19.853339 -0.100044 C 19.778531 14.185499 3.483088 0.148454 C 19.501232 13.630738 4.670445 -0.185362 C 18.598397 12.670145 4.765223 -0.097875 C 22.428996 18.552845 2.306262 0.141842 C 21.274657 19.260258 2.411571 -0.177245 C 21.039275 20.326963 1.748126 -0.076928 C 24.163729 14.743983 5.892027 0.148773 C 24.305603 15.607772 6.905624 -0.181179 C 25.153622 15.349007 7.919221 -0.101133 C 22.019496 18.390885 6.152666 0.133467 C 23.148039 19.094575 5.765656 -0.169666 C 23.586559 20.084953 6.473858 -0.100044 C 21.468122 9.628268 2.329957 0.148454 C 20.178358 9.278284 2.422102 -0.185361 C 19.546373 9.352749 3.580499 -0.097875 C 41.072535 18.109781 24.826547 0.141842 C 41.394976 16.922071 25.400480 -0.177246 C 42.552539 16.387788 25.310967 -0.076930 C 35.945723 19.960225 24.010404 0.148772 C 35.616833 18.988463 23.149504 -0.181179 C 34.639837 19.172763 22.241216 -0.101132 C 37.838451 16.168118 23.955117 0.133467 C 38.560719 16.532994 22.830945 -0.169666 C 38.554270 15.792072 21.769959 -0.100044 C 12.465569 8.012387 12.213187 0.148451 C 12.742868 8.946917 11.294368 -0.185362 C 13.645703 8.716077 10.357119 -0.097874 C 42.059204 8.358647 16.723036 0.141843 C 43.213543 8.693737 17.354888 -0.177245 C 43.448925 8.423803 18.581736 -0.076928 C 40.324471 10.469717 11.936751 0.148772 C 40.182597 11.713275 12.413273 -0.181179 C 39.334578 12.582649 11.831442 -0.101133 C 42.468704 11.931084 15.288203 0.133467 C 41.340161 11.800771 16.080652 -0.169666 C 40.901641 12.798596 16.778323 -0.100044 C 10.775978 5.406127 8.300965 0.148439 C 12.065742 5.376341 7.940283 -0.185339 C 12.697727 6.493310 7.624356 -0.097881 C 23.415665 29.443287 8.798549 0.141843 C 23.093224 29.588493 7.487455 -0.177245 C 21.935661 29.326005 7.013565 -0.076929 C 28.542477 29.290635 10.815213 0.148772 C 28.871367 28.155050 10.185993 -0.181181 C 29.848363 27.360141 10.662515 -0.101132 C 26.649749 27.974474 7.258408 0.133467 C 25.927481 27.036220 7.977141 -0.169667 C 25.933930 25.788939 7.632254 -0.100043 C 13.171715 13.777805 2.329957 0.148451 C 14.119691 12.835829 2.422102 -0.185362 C 14.371195 12.251282 3.580499 -0.097874 C 28.268402 26.514968 24.826547 0.141843 C 29.135769 27.388065 25.400480 -0.177245 C 29.019690 28.657686 25.310967 -0.076929 C 29.229277 21.149797 24.010404 0.148772 C 30.235293 21.350851 23.149504 -0.181179 C 30.564182 20.412598 22.241216 -0.101133 C 31.566974 24.685002 23.955117 0.133467 C 30.889848 25.128066 22.830945 -0.169666 C 31.534730 25.492942 21.769959 -0.100044 C 10.069832 10.035961 3.483088 0.148439 C 10.688919 10.073193 4.670445 -0.185339 C 11.972234 9.771612 4.765223 -0.097881 C 37.206467 10.147658 2.306262 0.141843 C 37.170998 8.794265 2.411571 -0.177245 C 36.364896 8.057065 1.748126 -0.076929 C 39.637672 13.554412 5.892027 0.148772 C 38.818672 13.245384 6.905624 -0.181181 C 38.618759 14.109173 7.919221 -0.101132 C 37.551479 9.874001 6.152666 0.133467 C 36.377794 10.499503 5.765656 -0.169667 C 35.300841 10.384083 6.473858 -0.100043 C 22.174268 6.629207 8.300965 0.148454 C 21.555181 7.761069 7.940283 -0.185362 C 20.271866 7.749899 7.624356 -0.097875 C 27.281733 5.556918 8.798549 0.141842 C 27.317202 5.205073 7.487455 -0.177245 C 28.123304 4.333837 7.013565 -0.076928 C 24.850528 10.073193 10.815213 0.148773 C 25.669528 10.925813 10.185993 -0.181179 C 25.869441 12.169371 10.662515 -0.101133 C 26.936721 9.092123 7.258408 0.133467 C 28.110406 8.935747 7.977141 -0.169666 C 29.187359 9.564973 7.632254 -0.100044 C 19.072385 6.789306 12.213187 0.148454 C 18.124409 6.562189 11.294368 -0.185361 C 17.872905 7.459487 10.357119 -0.097875 C 36.219798 32.245016 16.723036 0.141842 C 35.352431 33.077158 17.354888 -0.177246 C 35.468510 33.415971 18.581736 -0.076930 C 35.258923 29.687158 11.936751 0.148772 C 34.252907 28.942513 12.413273 -0.181179 C 33.924018 27.773419 11.831442 -0.101133 C 32.921226 30.813435 15.288203 0.133467 C 33.598352 29.901244 16.080652 -0.169666 C 32.953470 29.022562 16.778323 -0.100044 C 15.415904 15.888875 8.300965 0.148454 C 14.745227 14.786800 7.940283 -0.185361 C 15.396558 13.681001 7.624356 -0.097875 C 46.034902 20.848215 8.798549 0.141842 C 46.321874 21.054854 7.487455 -0.177246 C 46.673335 22.188577 7.013565 -0.076930 C 43.339295 16.484592 10.815213 0.148772 C 42.191405 16.767557 10.185993 -0.181179 C 41.014495 16.318908 10.662515 -0.101132 C 43.145830 18.781824 7.258408 0.133467 C 42.694413 19.876453 7.977141 -0.169666 C 41.611011 20.494509 7.632254 -0.100044 C 16.828196 13.122517 12.213187 0.148454 C 17.498873 12.415104 11.294368 -0.185362 C 16.847542 11.748646 10.357119 -0.097875 C 18.453298 15.244757 16.723036 0.141842 C 18.166326 14.077525 17.354888 -0.177245 C 17.814865 14.008645 18.581736 -0.076928 C 21.148905 15.691544 11.936751 0.148773 C 22.296795 15.192632 12.413273 -0.181179 C 23.473705 15.492352 11.831442 -0.101133 C 21.342370 13.103901 15.288203 0.133467 C 21.793787 14.146405 16.080652 -0.169666 C 22.877189 14.027261 16.778323 -0.100044 C 13.726313 4.518137 2.329957 0.148439 C 14.068101 5.810097 2.422102 -0.185339 C 14.448581 6.320180 3.580499 -0.097881 C 27.391363 11.223671 24.826547 0.141843 C 26.201556 11.538284 25.400480 -0.177245 C 25.160071 10.802946 25.310967 -0.076929 C 31.557301 14.738398 24.010404 0.148772 C 30.880175 15.509106 23.149504 -0.181181 C 31.528281 16.263060 22.241216 -0.101132 C 27.326875 14.995301 23.955117 0.133467 C 27.281733 14.187360 22.830945 -0.169667 C 26.643300 14.563406 21.769959 -0.100043 C 18.517787 3.702750 3.483088 0.148451 C 18.175999 4.220279 4.670445 -0.185362 C 17.795519 5.482453 4.765223 -0.097874 C 37.096837 27.147917 2.306262 0.141843 C 38.286644 27.793897 2.411571 -0.177245 C 39.328129 27.464391 1.748126 -0.076928 C 32.930899 27.550026 5.892027 0.148772 C 33.608025 26.995265 6.905624 -0.181179 C 32.959919 26.390240 7.919221 -0.101133 C 37.161325 27.583535 6.152666 0.133467 C 37.206467 26.254342 5.765656 -0.169666 C 37.844900 25.379384 6.473858 -0.100044 C 23.483378 10.058300 1.808678 0.169746 C 20.452433 15.308052 1.808678 0.169746 C 11.791667 6.807922 13.829677 0.169741 C 8.760722 5.058005 8.880164 0.169740 C 19.152995 2.557858 1.808678 0.169741 C 13.091105 2.557858 1.808678 0.169740 C 16.122050 17.808200 8.880164 0.169746 C 16.122050 14.308365 13.829677 0.169746 C 23.483378 5.058005 8.880164 0.169746 C 20.452433 6.807922 13.829677 0.169746 C 8.760722 10.058300 1.808678 0.169740 C 11.791667 15.308052 1.808678 0.169741 C 44.035767 21.924228 24.518519 0.169746 C 41.004822 27.173980 24.518519 0.169746 C 52.696533 30.424358 12.497520 0.169741 C 55.727478 32.174275 17.447033 0.169740 C 52.696533 21.924228 24.518519 0.169741 C 55.727478 27.173980 24.518519 0.169740 C 41.004822 32.174275 17.447033 0.169746 C 44.035767 30.424358 12.497520 0.169746 C 48.366150 19.424080 17.447033 0.169746 C 48.366150 22.923915 12.497520 0.169746 C 51.397095 34.674422 24.518519 0.169740 C 45.335205 34.674422 24.518519 0.169741 C 27.004434 12.269898 2.258874 0.140167 C 37.483766 24.962382 24.068323 0.140167 C 27.004434 31.012628 15.511984 0.140163 C 37.483766 6.219652 10.815213 0.140163 C 35.120274 10.905335 24.068323 0.140163 C 29.367926 26.326945 2.258874 0.140163 C 18.888594 20.276700 10.815213 0.140167 C 45.599606 16.955580 15.511984 0.140167 C 40.359940 29.352068 10.815213 0.140167 C 24.128260 7.880212 15.511984 0.140167 C 24.128260 19.980703 24.068323 0.140163 C 40.359940 17.251577 2.258874 0.140163 C 40.359940 19.980703 24.068323 0.140167 C 24.128260 17.251577 2.258874 0.140167 C 24.128260 29.352068 10.815213 0.140163 C 40.359940 7.880212 15.511984 0.140163 C 37.483766 12.269898 2.258874 0.140163 C 27.004434 24.962382 24.068323 0.140163 C 37.483766 31.012628 15.511984 0.140167 C 27.004434 6.219652 10.815213 0.140167 C 18.888594 16.955580 15.511984 0.140167 C 45.599606 20.276700 10.815213 0.140167 C 35.120274 26.326945 2.258874 0.140163 C 29.367926 10.905335 24.068323 0.140163 C 23.580110 13.613983 4.196555 0.161408 C 36.677664 21.175859 25.584770 0.161405 C 27.810536 31.180173 11.436534 0.161410 C 40.908090 8.494545 11.436534 0.161410 C 32.244100 13.496701 25.584770 0.161410 C 32.244100 28.620454 4.196555 0.161410 C 19.146547 16.173702 11.436534 0.161408 C 45.341653 16.173702 11.436534 0.161406 C 36.677664 31.180173 11.436534 0.161405 C 23.580110 8.494545 11.436534 0.161408 C 27.810536 21.175859 25.584770 0.161410 C 40.908090 13.613983 4.196555 0.161410 C 40.908090 23.618297 22.130642 0.161408 C 27.810536 16.056421 0.742427 0.161405 C 23.580110 28.737735 14.890663 0.161410 C 36.677664 6.052107 14.890663 0.161410 C 36.677664 16.056421 0.742427 0.161410 C 23.580110 23.618297 22.130642 0.161410 C 40.908090 28.737735 14.890663 0.161408 C 27.810536 6.052107 14.890663 0.161405 C 19.146547 21.058578 14.890663 0.161405 C 45.341653 21.058578 14.890663 0.161408 C 32.244100 23.735578 0.742427 0.161410 C 32.244100 8.611826 22.130642 0.161410 C 25.002075 9.110739 6.442265 0.173931 C 32.244100 23.940356 25.798020 0.173934 C 32.244100 32.302726 13.971843 0.173934 C 39.486125 9.110739 6.442265 0.173931 C 36.855006 15.954032 25.798020 0.173934 C 27.633194 29.640618 6.442265 0.173931 C 20.391169 17.097063 6.442265 0.173931 C 44.097031 11.772847 13.971843 0.173934 C 36.855006 29.640618 6.442265 0.173934 C 20.391169 11.772847 13.971843 0.173931 C 27.633194 15.954032 25.798020 0.173931 C 44.097031 17.097063 6.442265 0.173934 C 44.097031 20.135217 19.884932 0.173931 C 27.633194 21.278248 0.529177 0.173934 C 20.391169 25.459433 12.355354 0.173934 C 36.855006 7.591662 19.884932 0.173931 C 32.244100 13.291924 0.529177 0.173934 C 25.002075 28.121541 19.884932 0.173931 C 39.486125 28.121541 19.884932 0.173931 C 32.244100 4.929554 12.355354 0.173934 C 20.391169 20.135217 19.884932 0.173934 C 44.097031 25.459433 12.355354 0.173931 C 36.855006 21.278248 0.529177 0.173931 C 27.633194 7.591662 19.884932 0.173934 N 23.470480 10.305523 3.097131 -0.358261 N 26.487238 11.142504 2.789367 -0.350399 N 24.470692 12.807532 4.774700 -0.356928 N 25.668238 9.863948 5.606903 -0.350883 N 19.543149 14.528408 1.273183 -0.358260 N 36.399720 25.165298 24.845239 -0.350398 N 35.740005 21.955131 25.045063 -0.356928 N 33.361036 24.216620 25.177488 -0.350881 N 12.700951 6.043171 13.273120 -0.358261 N 28.088480 31.812749 15.444324 -0.350398 N 28.748195 30.931089 12.351141 -0.356928 N 31.127164 31.809771 14.439151 -0.350882 N 8.773620 6.355178 8.683763 -0.358244 N 38.000962 6.344008 9.575465 -0.350398 N 40.017508 8.770808 10.483490 -0.356928 N 38.819962 8.574222 7.430851 -0.350882 N 18.932446 3.735142 1.273183 -0.358261 N 35.838027 11.742689 24.845239 -0.350398 N 33.387798 13.919102 25.045063 -0.356928 N 36.535790 14.848606 25.177488 -0.350882 N 13.311654 2.445416 3.097131 -0.358244 N 28.650173 27.338546 2.789367 -0.350398 N 31.100402 28.252413 4.774700 -0.356928 N 27.952410 28.687099 5.606903 -0.350882 N 17.238986 17.148444 8.683763 -0.358261 N 18.737691 19.766617 9.575465 -0.350399 N 19.831089 16.806837 10.483490 -0.356928 N 20.259613 17.942236 7.430851 -0.350883 N 15.005114 13.903278 13.273120 -0.358260 N 45.750509 15.616708 15.444324 -0.350398 N 44.657111 15.486208 12.351141 -0.356928 N 44.228587 12.986619 14.439151 -0.350881 N 22.353545 4.420589 8.683763 -0.358260 N 39.993647 29.737794 9.575465 -0.350398 N 36.883704 30.270774 10.483490 -0.356928 N 37.652725 29.331963 7.430851 -0.350881 N 20.660085 7.977761 13.273120 -0.358261 N 22.893311 8.418963 15.444324 -0.350399 N 23.326994 9.431123 12.351141 -0.356928 N 21.376549 11.052030 14.439151 -0.350883 N 9.890555 9.660660 1.273183 -0.358244 N 24.494553 18.940433 24.845239 -0.350398 N 27.604496 19.974187 25.045063 -0.356928 N 26.835475 16.783195 25.177488 -0.350882 N 11.584015 15.173271 3.097131 -0.358261 N 41.594889 17.367369 2.789367 -0.350398 N 41.161206 14.788475 4.774700 -0.356928 N 43.111651 17.297373 5.606903 -0.350882 N 43.828115 22.059009 23.230066 -0.358261 N 41.594889 19.864911 23.537830 -0.350399 N 41.161206 22.443805 21.552497 -0.356928 N 43.111651 19.934907 20.720294 -0.350883 N 42.134655 27.571620 25.054014 -0.358260 N 24.494553 18.291847 1.481958 -0.350398 N 27.604496 17.258093 1.282134 -0.356928 N 26.835475 20.449085 1.149709 -0.350881 N 52.904185 29.254519 13.054077 -0.358262 N 22.893311 28.813317 10.882873 -0.350398 N 23.326994 27.801157 13.976056 -0.356928 N 21.376549 26.180250 11.888046 -0.350882 N 54.597645 32.811691 17.643434 -0.358244 N 39.993647 7.494486 16.751732 -0.350398 N 36.883704 6.961506 15.843707 -0.356928 N 37.652725 7.900317 18.896346 -0.350882 N 51.787249 22.703872 25.054014 -0.358261 N 36.399720 12.066982 1.481958 -0.350398 N 35.740005 15.277149 1.282134 -0.356928 N 33.361036 13.015660 1.149709 -0.350882 N 55.714580 26.926757 23.230066 -0.358244 N 26.487238 26.089776 23.537830 -0.350398 N 24.470692 24.424748 21.552497 -0.356928 N 25.668238 27.368332 20.720294 -0.350882 N 41.017720 30.877102 17.643434 -0.358261 N 38.000962 30.888272 16.751732 -0.350399 N 40.017508 28.461472 15.843707 -0.356928 N 38.819962 28.658058 18.896346 -0.350883 N 44.945051 31.189109 13.054077 -0.358260 N 28.088480 5.419531 10.882873 -0.350398 N 28.748195 6.301191 13.976056 -0.356929 N 31.127164 5.422509 11.888046 -0.350881 N 49.483086 20.083836 17.643434 -0.358260 N 18.737691 17.465663 16.751732 -0.350398 N 19.831089 20.425443 15.843707 -0.356928 N 20.259613 19.290044 18.896346 -0.350881 N 47.249214 23.329002 13.054077 -0.358261 N 45.750509 21.615572 10.882873 -0.350399 N 44.657111 21.746072 13.976056 -0.356928 N 44.228587 24.245661 11.888046 -0.350883 N 51.176546 33.497138 25.054014 -0.358244 N 35.838027 25.489591 1.481958 -0.350398 N 33.387798 23.313178 1.282134 -0.356928 N 36.535790 22.383674 1.149709 -0.350882 N 45.555754 34.786864 23.230066 -0.358261 N 28.650173 9.893734 23.537830 -0.350398 N 31.100402 8.979867 21.552497 -0.356928 N 27.952410 8.545181 20.720294 -0.350882 N 41.017720 26.926757 23.230066 -0.358261 N 38.000962 26.089776 23.537830 -0.350399 N 40.017508 24.424748 21.552497 -0.356929 N 38.819962 27.368332 20.720294 -0.350885 N 44.945051 22.703872 25.054014 -0.358260 N 28.088480 12.066982 1.481958 -0.350398 N 28.748195 15.277149 1.282134 -0.356930 N 31.127164 13.015660 1.149709 -0.350883 N 51.787249 31.189109 13.054077 -0.358261 N 36.399720 5.419531 10.882873 -0.350398 N 35.740005 6.301191 13.976056 -0.356929 N 33.361036 5.422509 11.888046 -0.350884 N 55.714580 30.877102 17.643434 -0.358244 N 26.487238 30.888272 16.751732 -0.350398 N 24.470692 28.461472 15.843707 -0.356930 N 25.668238 28.658058 18.896346 -0.350884 N 45.555754 33.497138 25.054014 -0.358261 N 28.650173 25.489591 1.481958 -0.350398 N 31.100402 23.313178 1.282134 -0.356929 N 27.952410 22.383674 1.149709 -0.350884 N 51.176546 34.786864 23.230066 -0.358244 N 35.838027 9.893734 23.537830 -0.350398 N 33.387798 8.979867 21.552497 -0.356930 N 36.535790 8.545181 20.720294 -0.350884 N 47.249214 20.083836 17.643434 -0.358261 N 45.750509 17.465663 16.751732 -0.350399 N 44.657111 20.425443 15.843707 -0.356930 N 44.228587 19.290044 18.896346 -0.350884 N 49.483086 23.329002 13.054077 -0.358260 N 18.737691 21.615572 10.882873 -0.350398 N 19.831089 21.746072 13.976056 -0.356930 N 20.259613 24.245661 11.888046 -0.350883 N 42.134655 32.811691 17.643434 -0.358260 N 24.494553 7.494486 16.751732 -0.350398 N 27.604496 6.961506 15.843707 -0.356930 N 26.835475 7.900317 18.896346 -0.350883 N 43.828115 29.254519 13.054077 -0.358261 N 41.594889 28.813317 10.882873 -0.350399 N 41.161206 27.801157 13.976056 -0.356930 N 43.111651 26.180250 11.888046 -0.350884 N 54.597645 27.571620 25.054014 -0.358244 N 39.993647 18.291847 1.481958 -0.350398 N 36.883704 17.258093 1.282134 -0.356929 N 37.652725 20.449085 1.149709 -0.350884 N 52.904185 22.059009 23.230066 -0.358261 N 22.893311 19.864911 23.537830 -0.350398 N 23.326994 22.443805 21.552497 -0.356929 N 21.376549 19.934907 20.720294 -0.350884 N 20.660085 15.173271 3.097131 -0.358261 N 22.893311 17.367369 2.789367 -0.350399 N 23.326994 14.788475 4.774700 -0.356929 N 21.376549 17.297373 5.606903 -0.350885 N 22.353545 9.660660 1.273183 -0.358260 N 39.993647 18.940433 24.845239 -0.350398 N 36.883704 19.974187 25.045063 -0.356930 N 37.652725 16.783195 25.177488 -0.350883 N 11.584015 7.977761 13.273120 -0.358261 N 41.594889 8.418963 15.444324 -0.350398 N 41.161206 9.431123 12.351141 -0.356929 N 43.111651 11.052030 14.439151 -0.350884 N 9.890555 4.420589 8.683763 -0.358244 N 24.494553 29.737794 9.575465 -0.350398 N 27.604496 30.270774 10.483490 -0.356930 N 26.835475 29.331963 7.430851 -0.350884 N 12.700951 14.528408 1.273183 -0.358261 N 28.088480 25.165298 24.845239 -0.350398 N 28.748195 21.955131 25.045063 -0.356929 N 31.127164 24.216620 25.177488 -0.350884 N 8.773620 10.305523 3.097131 -0.358244 N 38.000962 11.142504 2.789367 -0.350398 N 40.017508 12.807532 4.774700 -0.356929 N 38.819962 9.863948 5.606903 -0.350884 N 23.470480 6.355178 8.683763 -0.358261 N 26.487238 6.344008 9.575465 -0.350399 N 24.470692 8.770808 10.483490 -0.356929 N 25.668238 8.574222 7.430851 -0.350884 N 19.543149 6.043171 13.273120 -0.358260 N 36.399720 31.812749 15.444324 -0.350398 N 35.740005 30.931089 12.351141 -0.356930 N 33.361036 31.809771 14.439151 -0.350883 N 15.005114 17.148444 8.683763 -0.358260 N 45.750509 19.766617 9.575465 -0.350398 N 44.657111 16.806837 10.483490 -0.356930 N 44.228587 17.942236 7.430851 -0.350883 N 17.238986 13.903278 13.273120 -0.358261 N 18.737691 15.616708 15.444324 -0.350399 N 19.831089 15.486208 12.351141 -0.356929 N 20.259613 12.986619 14.439151 -0.350884 N 13.311654 3.735142 1.273183 -0.358244 N 28.650173 11.742689 24.845239 -0.350398 N 31.100402 13.919102 25.045063 -0.356930 N 27.952410 14.848606 25.177488 -0.350884 N 18.932446 2.445416 3.097131 -0.358261 N 35.838027 27.338546 2.789367 -0.350398 N 33.387798 28.252413 4.774700 -0.356929 N 36.535790 28.687099 5.606903 -0.350884 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 Zn 25.012071 11.035089 4.122049 0.629048 113.717309 0.21583471E+04 0.70921458E+05 18.569293 14.832481 0.697558 2.045417 0.995063 50.331141 137.988747 0.487654 0.382241 -1.161149 0.007294 -0.001710 0.011448 0.013682 0.015896 -0.001947 0.005081 0.037076 -0.024217 -0.022444 -0.006013 0.028456 22.546345 24.553298 -2.358327 1.661557 18.970140 -0.386544 24.115597 0.000002 2 Zn 35.249573 23.756987 25.656117 0.629045 113.717805 0.21583572E+04 0.70921894E+05 18.569355 14.832524 0.697555 2.045416 0.995063 50.331238 137.989245 0.487653 0.382242 -1.161148 -0.010332 -0.000049 -0.008963 0.013678 0.010074 -0.006064 -0.010259 -0.006314 0.071122 -0.022446 -0.006014 0.028460 22.546419 22.764908 0.305831 3.545429 22.642873 -2.317289 22.231476 0.000002 3 Zn 29.238627 32.107815 13.846263 0.629047 113.717912 0.21583530E+04 0.70921727E+05 18.569381 14.832513 0.697553 2.045416 0.995063 50.331198 137.989160 0.487653 0.382242 -1.161148 0.010330 -0.008463 0.002947 0.013675 0.002358 -0.011520 -0.018163 -0.028669 0.004049 -0.022447 -0.006013 0.028460 22.546500 22.764939 -3.444755 0.893451 20.820984 -1.673196 24.053578 0.000002 4 Zn 39.476129 7.564668 9.029965 0.629041 113.717978 0.21583617E+04 0.70922067E+05 18.569366 14.832530 0.697569 2.045419 0.995063 50.331308 137.989411 0.487654 0.382241 -1.161149 -0.007299 0.010228 -0.005429 0.013688 -0.003463 -0.015635 0.001929 0.028164 -0.050937 -0.022441 -0.006012 0.028453 22.546444 24.553357 -0.780377 2.777311 23.301066 -1.917728 19.784909 0.000002 5 Zn 35.193468 13.442901 25.656117 0.629047 113.717925 0.21583532E+04 0.70921735E+05 18.569382 14.832514 0.697554 2.045417 0.995063 50.331198 137.989155 0.487653 0.382242 -1.161148 0.005128 0.008967 -0.008961 0.013675 -0.007770 -0.005852 0.010380 -0.014295 0.071125 -0.022447 -0.006013 0.028460 22.546501 22.408366 -0.100029 -3.779609 22.999299 -1.911915 22.231837 0.000002 6 Zn 29.294732 28.669786 4.122049 0.629041 113.717979 0.21583614E+04 0.70922057E+05 18.569366 14.832529 0.697569 2.045419 0.995063 50.331308 137.989411 0.487654 0.382241 -1.161149 -0.005130 -0.005467 0.011453 0.013688 0.008105 0.005372 -0.000854 -0.046067 -0.024210 -0.022441 -0.006012 0.028453 22.546444 22.408406 3.596740 -1.165514 21.115179 -1.245640 24.115747 0.000002 7 Zn 19.057230 17.878755 9.029965 0.629048 113.717302 0.21583474E+04 0.70921468E+05 18.569293 14.832482 0.697557 2.045417 0.995063 50.331141 137.988752 0.487654 0.382241 -1.161149 0.012501 0.001205 -0.005428 0.013682 0.013928 0.009490 0.012575 -0.008086 -0.050943 -0.022443 -0.006013 0.028456 22.546343 24.289894 0.932506 -3.049428 23.564331 -1.446360 19.784805 0.000002 8 Zn 45.430970 14.473118 13.846263 0.629045 113.717799 0.21583577E+04 0.70921911E+05 18.569355 14.832526 0.697555 2.045416 0.995063 50.331237 137.989243 0.487653 0.382242 -1.161148 -0.012499 -0.004715 0.002942 0.013678 -0.013594 -0.009970 0.019057 0.010250 0.004056 -0.022446 -0.006014 0.028460 22.546418 24.289859 2.564182 -1.895634 19.295737 0.062764 24.053658 0.000002 9 Zn 38.198940 30.404997 9.029965 0.629045 113.717805 0.21583578E+04 0.70921915E+05 18.569356 14.832526 0.697555 2.045416 0.995063 50.331238 137.989246 0.487653 0.382242 -1.161148 -0.005208 -0.011425 -0.005426 0.013678 -0.010467 0.006143 -0.014508 -0.020086 -0.050952 -0.022446 -0.006014 0.028460 22.546418 22.938230 -0.152130 0.272034 24.916061 3.364107 19.784965 0.000002 10 Zn 22.062703 9.267487 13.846263 0.629048 113.717296 0.21583472E+04 0.70921460E+05 18.569292 14.832481 0.697558 2.045417 0.995063 50.331140 137.988747 0.487654 0.382241 -1.161149 0.002166 0.013184 0.002945 0.013682 0.011231 0.021487 -0.000895 0.018417 0.004051 -0.022444 -0.006013 0.028456 22.546343 18.323558 0.880467 1.002239 25.261994 1.610266 24.053476 0.000002 11 Zn 26.289260 18.648532 25.656117 0.629041 113.717974 0.21583613E+04 0.70922053E+05 18.569365 14.832528 0.697569 2.045419 0.995063 50.331310 137.989417 0.487654 0.382241 -1.161149 0.005208 -0.008930 -0.008972 0.013688 -0.002307 0.011914 -0.000122 0.020600 0.071103 -0.022442 -0.006012 0.028453 22.546442 22.938298 -0.205882 0.234069 22.469513 4.229094 22.231515 0.000002 12 Zn 42.425497 16.143544 4.122049 0.629047 113.717912 0.21583528E+04 0.70921719E+05 18.569380 14.832512 0.697554 2.045417 0.995063 50.331198 137.989155 0.487653 0.382242 -1.161148 -0.002164 0.007171 0.011442 0.013675 -0.024006 -0.003429 -0.004227 0.008996 -0.024220 -0.022447 -0.006013 0.028460 22.546499 18.323724 -1.238522 -0.496160 25.200044 1.632328 24.115728 0.000002 13 Zn 42.425497 21.088736 22.205148 0.629048 113.717299 0.21583472E+04 0.70921459E+05 18.569291 14.832481 0.697558 2.045417 0.995063 50.331142 137.988749 0.487654 0.382241 -1.161149 -0.002166 -0.007172 -0.011448 0.013682 0.024002 0.003427 -0.004227 0.008994 -0.024217 -0.022444 -0.006013 0.028456 22.546341 18.323561 1.238412 0.496034 25.199877 1.632223 24.115586 0.000002 14 Zn 26.289260 18.583748 0.671080 0.629045 113.717816 0.21583573E+04 0.70921895E+05 18.569357 14.832524 0.697555 2.045416 0.995063 50.331238 137.989249 0.487653 0.382242 -1.161148 0.005208 0.008924 0.008963 0.013678 0.002303 -0.011916 -0.000122 0.020606 0.071122 -0.022447 -0.006014 0.028460 22.546422 22.938235 0.205761 -0.234107 22.469557 4.229081 22.231473 0.000002 15 Zn 22.062703 27.964793 12.480934 0.629047 113.717913 0.21583529E+04 0.70921722E+05 18.569381 14.832513 0.697554 2.045417 0.995063 50.331197 137.989154 0.487653 0.382242 -1.161148 0.002164 -0.013178 -0.002947 0.013675 -0.011235 -0.021490 -0.000895 0.018419 0.004050 -0.022447 -0.006013 0.028460 22.546500 18.323721 -0.880622 -1.002301 25.262205 1.610356 24.053575 0.000002 16 Zn 38.198940 6.827283 17.297232 0.629041 113.717963 0.21583618E+04 0.70922072E+05 18.569364 14.832531 0.697569 2.045419 0.995063 50.331309 137.989414 0.487654 0.382241 -1.161149 -0.005208 0.011435 0.005429 0.013688 0.010464 -0.006146 -0.014505 -0.020080 -0.050937 -0.022441 -0.006012 0.028453 22.546439 22.938293 0.152054 -0.272135 24.916103 3.364090 19.784922 0.000002 17 Zn 35.249573 13.475293 0.671080 0.629047 113.717911 0.21583527E+04 0.70921716E+05 18.569380 14.832512 0.697554 2.045417 0.995063 50.331198 137.989153 0.487653 0.382242 -1.161148 -0.010330 0.000043 0.008961 0.013675 -0.010075 0.006063 -0.010258 -0.006311 0.071125 -0.022447 -0.006013 0.028460 22.546498 22.764924 -0.305892 -3.545567 22.642734 -2.317279 22.231836 0.000002 18 Zn 25.012071 26.197191 22.205148 0.629041 113.717975 0.21583614E+04 0.70922055E+05 18.569365 14.832529 0.697569 2.045419 0.995063 50.331309 137.989414 0.487654 0.382241 -1.161149 0.007299 0.001709 -0.011452 0.013688 -0.015895 0.001947 0.005079 0.037073 -0.024210 -0.022442 -0.006012 0.028453 22.546444 24.553356 2.358354 -1.661516 18.970227 -0.386549 24.115748 0.000002 19 Zn 39.476129 29.667612 17.297232 0.629048 113.717312 0.21583475E+04 0.70921471E+05 18.569293 14.832482 0.697558 2.045417 0.995063 50.331140 137.988745 0.487654 0.382241 -1.161149 -0.007294 -0.010224 0.005428 0.013682 0.003463 0.015636 0.001931 0.028168 -0.050943 -0.022443 -0.006013 0.028456 22.546345 24.553299 0.780425 -2.777300 23.300925 -1.917704 19.784812 0.000002 20 Zn 29.238627 5.124465 12.480934 0.629045 113.717804 0.21583575E+04 0.70921904E+05 18.569356 14.832526 0.697554 2.045416 0.995063 50.331238 137.989251 0.487653 0.382242 -1.161148 0.010332 0.008467 -0.002942 0.013678 -0.002359 0.011519 -0.018163 -0.028669 0.004055 -0.022446 -0.006014 0.028460 22.546421 22.764922 3.444604 -0.893462 20.820673 -1.673046 24.053668 0.000002 21 Zn 19.057230 19.353525 17.297232 0.629045 113.717811 0.21583576E+04 0.70921907E+05 18.569357 14.832526 0.697554 2.045416 0.995063 50.331238 137.989251 0.487653 0.382242 -1.161148 0.012499 -0.001202 0.005426 0.013678 -0.013931 -0.009493 0.012574 -0.008086 -0.050952 -0.022446 -0.006014 0.028460 22.546421 24.289859 -0.932493 3.049418 23.564460 -1.446452 19.784945 0.000002 22 Zn 45.430970 22.759162 12.480934 0.629048 113.717289 0.21583475E+04 0.70921472E+05 18.569291 14.832482 0.697558 2.045417 0.995063 50.331140 137.988745 0.487654 0.382241 -1.161149 -0.012501 0.004716 -0.002945 0.013682 0.013590 0.009968 0.019056 0.010245 0.004051 -0.022444 -0.006013 0.028456 22.546340 24.289893 -2.564187 1.895649 19.295657 0.062840 24.053469 0.000002 23 Zn 35.193468 23.789379 0.671080 0.629041 113.717979 0.21583617E+04 0.70922068E+05 18.569366 14.832531 0.697569 2.045419 0.995063 50.331308 137.989414 0.487654 0.382241 -1.161149 0.005130 -0.008975 0.008972 0.013688 0.007767 0.005851 0.010379 -0.014296 0.071103 -0.022442 -0.006012 0.028453 22.546443 22.408400 0.100053 3.779540 22.999410 -1.911831 22.231520 0.000002 24 Zn 29.294732 8.562494 22.205148 0.629047 113.717928 0.21583529E+04 0.70921722E+05 18.569382 14.832513 0.697554 2.045417 0.995063 50.331197 137.989152 0.487653 0.382242 -1.161148 -0.005128 0.005459 -0.011442 0.013675 -0.008108 -0.005375 -0.000857 -0.046077 -0.024220 -0.022447 -0.006013 0.028460 22.546503 22.408375 -3.596797 1.165558 21.115396 -1.245841 24.115737 0.000002 25 Zn 39.476129 26.197191 22.205148 0.629048 113.717230 0.21583454E+04 0.70921386E+05 18.569284 14.832474 0.697558 2.045417 0.995063 50.331121 137.988670 0.487655 0.382241 -1.161149 -0.007294 0.001710 -0.011448 0.013682 0.015895 -0.001947 0.005081 0.037075 -0.024218 -0.022443 -0.006012 0.028456 22.546333 24.553280 -2.358330 1.661558 18.970136 -0.386545 24.115582 0.000002 26 Zn 29.238627 13.475293 0.671080 0.629046 113.717726 0.21583555E+04 0.70921821E+05 18.569346 14.832518 0.697555 2.045416 0.995063 50.331218 137.989168 0.487653 0.382242 -1.161148 0.010333 0.000049 0.008963 0.013678 0.010074 -0.006064 -0.010259 -0.006315 0.071121 -0.022446 -0.006014 0.028460 22.546407 22.764897 0.305826 3.545428 22.642863 -2.317285 22.231460 0.000002 27 Zn 35.249573 5.124465 12.480934 0.629048 113.717830 0.21583512E+04 0.70921653E+05 18.569372 14.832507 0.697554 2.045417 0.995063 50.331177 137.989082 0.487653 0.382242 -1.161148 -0.010330 0.008463 -0.002947 0.013676 0.002358 -0.011520 -0.018162 -0.028669 0.004050 -0.022447 -0.006013 0.028460 22.546488 22.764929 -3.444752 0.893457 20.820971 -1.673191 24.053565 0.000002 28 Zn 25.012071 29.667612 17.297232 0.629041 113.717899 0.21583599E+04 0.70921994E+05 18.569357 14.832524 0.697569 2.045419 0.995063 50.331288 137.989334 0.487654 0.382241 -1.161149 0.007299 -0.010228 0.005429 0.013688 -0.003463 -0.015634 0.001930 0.028163 -0.050936 -0.022441 -0.006012 0.028453 22.546432 24.553339 -0.780377 2.777314 23.301052 -1.917726 19.784905 0.000002 29 Zn 29.294732 23.789379 0.671080 0.629048 113.717850 0.21583514E+04 0.70921661E+05 18.569374 14.832507 0.697555 2.045417 0.995063 50.331177 137.989078 0.487653 0.382242 -1.161148 -0.005128 -0.008968 0.008961 0.013676 -0.007770 -0.005852 0.010380 -0.014294 0.071123 -0.022447 -0.006013 0.028460 22.546490 22.408363 -0.100026 -3.779605 22.999285 -1.911916 22.231822 0.000002 30 Zn 35.193468 8.562494 22.205148 0.629041 113.717899 0.21583597E+04 0.70921983E+05 18.569357 14.832523 0.697569 2.045419 0.995063 50.331288 137.989333 0.487654 0.382241 -1.161149 0.005130 0.005467 -0.011453 0.013688 0.008105 0.005372 -0.000854 -0.046066 -0.024210 -0.022441 -0.006011 0.028452 22.546432 22.408402 3.596735 -1.165515 21.115162 -1.245641 24.115732 0.000002 31 Zn 45.430970 19.353525 17.297232 0.629048 113.717222 0.21583456E+04 0.70921395E+05 18.569284 14.832476 0.697557 2.045417 0.995063 50.331121 137.988675 0.487655 0.382241 -1.161149 -0.012501 -0.001205 0.005428 0.013682 0.013928 0.009490 0.012575 -0.008086 -0.050941 -0.022443 -0.006013 0.028456 22.546331 24.289879 0.932504 -3.049427 23.564314 -1.446363 19.784800 0.000002 32 Zn 19.057230 22.759162 12.480934 0.629046 113.717717 0.21583559E+04 0.70921836E+05 18.569346 14.832519 0.697555 2.045416 0.995063 50.331216 137.989164 0.487653 0.382242 -1.161148 0.012499 0.004715 -0.002942 0.013679 -0.013594 -0.009969 0.019057 0.010249 0.004057 -0.022446 -0.006014 0.028459 22.546406 24.289844 2.564182 -1.895632 19.295729 0.062757 24.053644 0.000002 33 Zn 26.289260 6.827283 17.297232 0.629046 113.717724 0.21583560E+04 0.70921840E+05 18.569347 14.832520 0.697555 2.045416 0.995063 50.331217 137.989168 0.487653 0.382242 -1.161148 0.005208 0.011425 0.005426 0.013679 -0.010467 0.006143 -0.014508 -0.020085 -0.050950 -0.022446 -0.006014 0.028459 22.546407 22.938215 -0.152129 0.272031 24.916044 3.364108 19.784961 0.000002 34 Zn 42.425497 27.964793 12.480934 0.629048 113.717217 0.21583454E+04 0.70921387E+05 18.569283 14.832475 0.697558 2.045417 0.995063 50.331120 137.988669 0.487655 0.382241 -1.161149 -0.002166 -0.013184 -0.002946 0.013682 0.011231 0.021487 -0.000895 0.018417 0.004052 -0.022443 -0.006013 0.028456 22.546331 18.323548 0.880464 1.002232 25.261981 1.610268 24.053463 0.000002 35 Zn 38.198940 18.583748 0.671080 0.629041 113.717893 0.21583595E+04 0.70921977E+05 18.569356 14.832522 0.697569 2.045419 0.995063 50.331289 137.989338 0.487654 0.382241 -1.161149 -0.005208 0.008930 0.008971 0.013688 -0.002307 0.011914 -0.000122 0.020600 0.071101 -0.022441 -0.006012 0.028453 22.546430 22.938282 -0.205879 0.234066 22.469508 4.229092 22.231499 0.000002 36 Zn 22.062703 21.088736 22.205148 0.629048 113.717833 0.21583510E+04 0.70921645E+05 18.569371 14.832505 0.697555 2.045417 0.995063 50.331178 137.989077 0.487653 0.382242 -1.161148 0.002164 -0.007171 -0.011442 0.013675 -0.024005 -0.003429 -0.004227 0.008996 -0.024221 -0.022447 -0.006013 0.028460 22.546487 18.323714 -1.238515 -0.496159 25.200032 1.632330 24.115713 0.000002 37 Zn 22.062703 16.143544 4.122049 0.629048 113.717217 0.21583454E+04 0.70921384E+05 18.569282 14.832474 0.697558 2.045417 0.995063 50.331121 137.988670 0.487655 0.382241 -1.161149 0.002166 0.007172 0.011448 0.013682 0.024002 0.003427 -0.004227 0.008994 -0.024218 -0.022443 -0.006012 0.028456 22.546329 18.323551 1.238404 0.496034 25.199865 1.632225 24.115572 0.000002 38 Zn 38.198940 18.648532 25.656117 0.629046 113.717736 0.21583555E+04 0.70921821E+05 18.569348 14.832518 0.697555 2.045416 0.995063 50.331218 137.989171 0.487653 0.382242 -1.161148 -0.005208 -0.008924 -0.008963 0.013678 0.002302 -0.011916 -0.000122 0.020606 0.071121 -0.022446 -0.006014 0.028460 22.546409 22.938219 0.205759 -0.234105 22.469552 4.229078 22.231456 0.000002 39 Zn 42.425497 9.267487 13.846263 0.629048 113.717830 0.21583511E+04 0.70921646E+05 18.569372 14.832506 0.697554 2.045417 0.995063 50.331176 137.989075 0.487653 0.382242 -1.161148 -0.002164 0.013178 0.002947 0.013676 -0.011235 -0.021489 -0.000895 0.018419 0.004051 -0.022447 -0.006013 0.028460 22.546488 18.323711 -0.880619 -1.002294 25.262192 1.610358 24.053561 0.000002 40 Zn 26.289260 30.404997 9.029965 0.629041 113.717881 0.21583600E+04 0.70921997E+05 18.569355 14.832524 0.697569 2.045419 0.995063 50.331288 137.989336 0.487654 0.382241 -1.161149 0.005208 -0.011435 -0.005429 0.013688 0.010464 -0.006146 -0.014505 -0.020079 -0.050935 -0.022441 -0.006012 0.028452 22.546427 22.938278 0.152052 -0.272131 24.916086 3.364092 19.784918 0.000002 41 Zn 29.238627 23.756987 25.656117 0.629048 113.717832 0.21583510E+04 0.70921643E+05 18.569371 14.832505 0.697555 2.045417 0.995063 50.331178 137.989076 0.487653 0.382242 -1.161148 0.010330 -0.000043 -0.008961 0.013675 -0.010075 0.006063 -0.010258 -0.006312 0.071123 -0.022447 -0.006013 0.028460 22.546486 22.764914 -0.305886 -3.545566 22.642724 -2.317275 22.231820 0.000002 42 Zn 39.476129 11.035089 4.122049 0.629041 113.717893 0.21583595E+04 0.70921979E+05 18.569356 14.832522 0.697569 2.045419 0.995063 50.331288 137.989335 0.487654 0.382241 -1.161149 -0.007299 -0.001709 0.011453 0.013688 -0.015894 0.001947 0.005079 0.037072 -0.024210 -0.022441 -0.006012 0.028453 22.546431 24.553338 2.358356 -1.661517 18.970223 -0.386550 24.115733 0.000002 43 Zn 25.012071 7.564668 9.029965 0.629048 113.717233 0.21583457E+04 0.70921399E+05 18.569285 14.832476 0.697558 2.045417 0.995063 50.331120 137.988669 0.487655 0.382241 -1.161149 0.007294 0.010224 -0.005428 0.013682 0.003462 0.015635 0.001932 0.028167 -0.050941 -0.022443 -0.006013 0.028456 22.546333 24.553281 0.780425 -2.777303 23.300911 -1.917702 19.784808 0.000002 44 Zn 35.249573 32.107815 13.846263 0.629046 113.717723 0.21583557E+04 0.70921830E+05 18.569347 14.832519 0.697554 2.045416 0.995063 50.331217 137.989173 0.487653 0.382242 -1.161148 -0.010333 -0.008467 0.002942 0.013679 -0.002359 0.011519 -0.018162 -0.028669 0.004057 -0.022446 -0.006014 0.028459 22.546409 22.764912 3.444601 -0.893468 20.820660 -1.673041 24.053655 0.000002 45 Zn 45.430970 17.878755 9.029965 0.629046 113.717732 0.21583558E+04 0.70921834E+05 18.569348 14.832519 0.697554 2.045416 0.995063 50.331218 137.989173 0.487653 0.382242 -1.161148 -0.012499 0.001202 -0.005426 0.013679 -0.013931 -0.009493 0.012574 -0.008087 -0.050951 -0.022446 -0.006014 0.028459 22.546409 24.289844 -0.932492 3.049417 23.564442 -1.446456 19.784941 0.000002 46 Zn 19.057230 14.473118 13.846263 0.629048 113.717209 0.21583457E+04 0.70921398E+05 18.569282 14.832476 0.697558 2.045417 0.995063 50.331119 137.988667 0.487654 0.382241 -1.161149 0.012501 -0.004716 0.002946 0.013682 0.013590 0.009968 0.019056 0.010245 0.004052 -0.022443 -0.006013 0.028456 22.546328 24.289879 -2.564187 1.895647 19.295649 0.062833 24.053457 0.000002 47 Zn 29.294732 13.442901 25.656117 0.629041 113.717895 0.21583599E+04 0.70921995E+05 18.569357 14.832524 0.697569 2.045419 0.995063 50.331288 137.989337 0.487654 0.382241 -1.161149 -0.005130 0.008976 -0.008972 0.013688 0.007767 0.005851 0.010379 -0.014295 0.071101 -0.022441 -0.006012 0.028453 22.546430 22.408394 0.100049 3.779537 22.999394 -1.911831 22.231504 0.000002 48 Zn 35.193468 28.669786 4.122049 0.629048 113.717849 0.21583511E+04 0.70921649E+05 18.569373 14.832506 0.697555 2.045417 0.995063 50.331177 137.989074 0.487653 0.382242 -1.161148 0.005128 -0.005459 0.011442 0.013676 -0.008107 -0.005375 -0.000857 -0.046075 -0.024221 -0.022447 -0.006013 0.028459 22.546490 22.408370 -3.596792 1.165560 21.115379 -1.245841 24.115722 0.000002 49 H 22.029169 10.317065 5.431301 0.113413 1.163964 0.84960714E+01 0.84155533E+02 1.794634 1.679945 -0.817563 2.487691 0.999231 3.415512 9.414600 0.496407 1.245671 -0.718104 0.011547 0.008362 0.026796 0.030353 0.004059 -0.002597 0.006944 0.019994 0.037708 -0.018784 0.004367 0.014417 1.854034 1.821809 0.119773 0.428550 1.499507 0.109324 2.240786 0.000000 50 H 19.836570 9.825599 5.589264 0.095878 1.080667 0.75020686E+01 0.71365747E+02 1.633335 1.519016 -0.768432 2.496066 0.999436 3.319945 8.699243 0.558241 1.153387 -0.738909 -0.015715 0.003365 0.033917 0.037532 0.008542 -0.001649 0.007006 0.031687 0.032424 -0.024856 0.012226 0.012630 1.716390 1.561171 -0.033976 -0.377156 1.432813 -0.111598 2.155185 -0.000001 51 H 26.723910 8.384709 2.998668 0.102531 1.240801 0.91461807E+01 0.91595863E+02 1.817283 1.701390 -0.902042 2.437235 0.998752 3.426372 9.268364 0.515312 1.186860 -0.732272 -0.015053 -0.018686 0.021236 0.032043 0.001862 -0.012063 -0.006330 -0.021070 -0.018006 -0.019139 0.002334 0.016804 1.882431 1.893218 0.291541 -0.499860 1.685697 -0.322881 2.068378 0.000001 52 H 28.049143 7.131843 1.800780 0.094371 1.167373 0.81996867E+01 0.78795676E+02 1.653280 1.540385 -0.714654 2.522928 0.999803 3.178797 8.047062 0.587366 1.085156 -0.759398 -0.002719 -0.029595 -0.000709 0.029728 0.000749 -0.017948 0.001117 -0.014760 -0.021240 -0.023533 0.010946 0.012586 1.670068 1.325608 0.096053 0.000574 2.294158 -0.079037 1.390439 -0.000001 53 H 26.104823 12.424412 6.913522 0.111758 1.014343 0.71103575E+01 0.68569424E+02 1.735016 1.607546 -1.059363 2.371106 0.996695 3.684720 10.619644 0.466015 1.362909 -0.689788 0.014413 -0.027159 0.005797 0.031288 -0.007222 0.012525 -0.000189 -0.008090 0.018354 -0.016800 0.001931 0.014869 1.804071 1.635108 -0.557869 0.030590 2.306704 -0.045667 1.470402 0.000000 54 H 26.465957 13.902533 8.606361 0.101615 1.161595 0.81949721E+01 0.79747312E+02 1.730996 1.603190 -0.782232 2.497140 0.999448 3.303533 8.772737 0.535160 1.176126 -0.734858 0.025050 -0.010192 0.028368 0.039193 -0.011844 0.015255 0.009486 -0.012987 0.008651 -0.026085 0.012012 0.014073 1.775451 1.674952 -0.184492 0.410054 1.545512 -0.315879 2.105890 -0.000008 55 H 28.126528 11.007724 4.983738 0.107558 1.122427 0.79022004E+01 0.78088341E+02 1.846644 1.687111 -1.131294 2.335953 0.995628 3.728716 10.807833 0.458878 1.350736 -0.692715 0.007781 0.016548 -0.027147 0.032732 0.008050 -0.002600 -0.012576 0.011011 0.001750 -0.016706 0.001215 0.015491 1.985688 1.676679 0.086480 -0.093024 1.747473 -0.662614 2.532913 0.000001 56 H 29.957993 10.840178 6.223749 0.099324 1.098545 0.67805927E+01 0.63337737E+02 1.703575 1.472963 -0.893276 2.442538 0.998705 3.345504 8.889249 0.546467 1.199906 -0.726496 0.028618 0.017526 -0.010377 0.035126 0.006706 0.009225 -0.013188 0.020515 -0.000947 -0.022814 0.007055 0.015759 1.901552 2.442593 0.615411 -0.575836 1.579423 -0.436101 1.682641 -0.000001 57 H 17.643972 12.588234 1.666512 0.113412 1.164005 0.84964683E+01 0.84160778E+02 1.794704 1.680006 -0.817594 2.487676 0.999231 3.415603 9.415045 0.496387 1.245703 -0.718097 -0.017051 -0.011538 -0.022301 0.030351 0.015571 0.005542 -0.001204 -0.003041 0.012439 -0.018783 0.004368 0.014415 1.854108 1.890701 0.152986 0.452056 1.514963 0.128215 2.156661 0.000000 58 H 17.231247 11.575516 3.635786 0.095877 1.080670 0.75021066E+01 0.71366349E+02 1.633354 1.519033 -0.768439 2.496062 0.999436 3.319955 8.699343 0.558230 1.153407 -0.738904 -0.025750 -0.027305 -0.000061 0.037532 0.017870 0.004946 -0.004780 -0.001645 0.033958 -0.024856 0.012225 0.012631 1.716411 2.019638 0.414142 -0.060295 1.797456 -0.078431 1.332138 -0.000001 59 H 34.636612 27.041805 25.882267 0.102531 1.240811 0.91463105E+01 0.91597928E+02 1.817332 1.701434 -0.902027 2.437242 0.998752 3.426404 9.268635 0.515289 1.186904 -0.732261 -0.028127 -0.006245 0.014022 0.032043 -0.002934 -0.015458 0.002234 0.003152 -0.029404 -0.019139 0.002334 0.016805 1.882483 2.245300 0.392249 -0.428676 1.684674 -0.198054 1.717475 0.000001 60 H 34.891341 29.206862 25.790122 0.094370 1.167418 0.82001249E+01 0.78801444E+02 1.653364 1.540457 -0.714671 2.522920 0.999803 3.178914 8.047606 0.587330 1.085200 -0.759385 -0.016506 0.018495 0.016408 0.029728 0.002086 -0.017004 0.001376 -0.014035 -0.029281 -0.023534 0.010947 0.012587 1.670154 1.766288 -0.337632 -0.306092 1.646636 0.305722 1.597538 -0.000001 61 H 33.772470 22.145760 23.178464 0.111759 1.014336 0.71102929E+01 0.68568567E+02 1.735000 1.607533 -1.059355 2.371110 0.996696 3.684696 10.619517 0.466021 1.362898 -0.689790 -0.020414 0.023695 -0.000898 0.031289 -0.006389 0.013116 0.004981 0.006533 -0.007908 -0.016800 0.001930 0.014870 1.804054 1.792210 -0.534692 0.046974 2.281059 0.018936 1.338893 0.000000 62 H 33.243667 20.570835 21.622527 0.101616 1.161588 0.81948015E+01 0.79743890E+02 1.730863 1.603075 -0.782218 2.497147 0.999448 3.303402 8.771808 0.535237 1.175982 -0.734892 -0.029047 0.007886 -0.025105 0.039194 -0.009394 0.016990 0.009707 -0.012357 -0.005030 -0.026085 0.012013 0.014072 1.775310 2.216711 -0.125064 0.452011 1.433362 -0.084641 1.675858 -0.000008 63 H 34.530207 25.167160 22.838843 0.107557 1.122425 0.79021964E+01 0.78088370E+02 1.846650 1.687117 -1.131301 2.335949 0.995628 3.728720 10.807885 0.458874 1.350747 -0.692713 0.031719 0.006257 -0.005105 0.032731 0.002942 -0.006212 -0.008087 0.023707 0.009252 -0.016706 0.001215 0.015491 1.985696 2.895828 0.194655 -0.016536 1.466006 -0.132070 1.595253 0.000001 64 H 33.421010 25.751706 21.009103 0.099324 1.098543 0.67805692E+01 0.63337324E+02 1.703556 1.472948 -0.893278 2.442537 0.998705 3.345492 8.889140 0.546478 1.199885 -0.726501 0.018592 0.009731 -0.028169 0.035126 -0.001937 0.003113 -0.010394 0.028416 0.032111 -0.022813 0.007055 0.015759 1.901531 2.059368 0.397619 -0.729824 1.455663 -0.527825 2.189561 -0.000001 65 H 14.600128 5.767280 11.312797 0.113414 1.163960 0.84960620E+01 0.84155701E+02 1.794654 1.679964 -0.817558 2.487695 0.999231 3.415543 9.414804 0.496394 1.245700 -0.718098 0.017051 -0.024873 -0.003446 0.030353 -0.010418 -0.012834 -0.002411 -0.006466 0.002175 -0.018785 0.004368 0.014417 1.854056 1.890648 -0.477176 0.006447 2.165880 -0.101937 1.505639 0.000000 66 H 15.012853 7.286357 9.701572 0.095878 1.080669 0.75020925E+01 0.71366113E+02 1.633346 1.519025 -0.768432 2.496066 0.999436 3.319955 8.699310 0.558236 1.153397 -0.738907 0.025750 -0.009159 -0.025723 0.037532 -0.010620 -0.015199 -0.008795 -0.013003 -0.000113 -0.024857 0.012226 0.012631 1.716403 2.019628 -0.081200 -0.410554 1.334537 0.085233 1.795044 -0.000001 67 H 29.851588 33.415971 16.867835 0.102531 1.240819 0.91464033E+01 0.91599351E+02 1.817358 1.701455 -0.902037 2.437239 0.998752 3.426468 9.268919 0.515279 1.186921 -0.732257 0.028127 0.011138 -0.010562 0.032043 0.015549 -0.002386 0.005863 0.013417 0.001388 -0.019137 0.002335 0.016802 1.882511 2.245335 0.273416 -0.512721 1.589365 -0.164355 1.812831 0.000001 68 H 29.596859 34.050782 18.939786 0.094370 1.167357 0.81996460E+01 0.78796028E+02 1.653329 1.540429 -0.714670 2.522921 0.999803 3.178920 8.047692 0.587323 1.085225 -0.759378 0.016507 0.021635 0.011968 0.029728 0.015335 -0.007635 0.007877 0.004352 0.025881 -0.023534 0.010947 0.012587 1.670117 1.766248 0.401114 0.216281 1.795110 0.253202 1.448992 -0.000001 69 H 30.715730 29.234786 13.153068 0.111758 1.014339 0.71103201E+01 0.68568898E+02 1.735003 1.607536 -1.059367 2.371103 0.996695 3.684703 10.619544 0.466020 1.362898 -0.689790 0.020414 0.007052 0.022639 0.031288 -0.010237 0.010395 0.004090 0.004013 -0.015466 -0.016800 0.001930 0.014870 1.804058 1.792213 0.133943 0.519771 1.455484 0.310824 2.164477 0.000000 70 H 31.244533 27.242859 12.186859 0.101617 1.161614 0.81950409E+01 0.79746999E+02 1.730914 1.603119 -0.782212 2.497150 0.999448 3.303401 8.771919 0.535219 1.176012 -0.734886 0.029047 -0.021041 0.015803 0.039194 -0.012888 0.014519 0.010282 -0.010729 -0.000147 -0.026086 0.012013 0.014072 1.775364 2.216785 -0.384491 0.268595 1.595759 -0.142048 1.513548 -0.000008 71 H 29.957993 29.921722 16.114877 0.107557 1.122428 0.79022149E+01 0.78088594E+02 1.846652 1.687118 -1.131305 2.335948 0.995628 3.728728 10.807909 0.458874 1.350746 -0.692713 -0.031719 -0.002727 0.007601 0.032731 0.004875 -0.004846 -0.011469 0.014141 -0.019446 -0.016707 0.001215 0.015491 1.985698 2.895832 -0.049297 -0.189034 1.497882 -0.143339 1.563379 0.000001 72 H 31.067190 28.391475 17.275907 0.099324 1.098534 0.67805153E+01 0.63336596E+02 1.703535 1.472933 -0.893280 2.442536 0.998705 3.345475 8.889034 0.546486 1.199871 -0.726504 -0.018592 -0.023315 0.018564 0.035126 -0.002290 0.002863 -0.017595 0.008048 -0.028993 -0.022813 0.007054 0.015759 1.901502 2.059336 0.555529 -0.618137 1.776233 -0.641156 1.868937 -0.000001 73 H 10.214931 8.559701 7.916588 0.113408 1.163974 0.84961852E+01 0.84157193E+02 1.794664 1.679971 -0.817523 2.487705 0.999231 3.415583 9.414917 0.496396 1.245692 -0.718099 -0.011547 0.028050 -0.001048 0.030352 0.001095 -0.004694 -0.003666 -0.010013 -0.052322 -0.018784 0.004368 0.014416 1.854066 1.821838 -0.443977 0.029929 2.227178 -0.147937 1.513180 0.000000 74 H 12.407530 8.544808 7.400575 0.095876 1.080678 0.75021690E+01 0.71366935E+02 1.633346 1.519026 -0.768442 2.496058 0.999436 3.319966 8.699310 0.558240 1.153386 -0.738909 0.015715 0.033099 -0.008133 0.037532 -0.001293 -0.008604 -0.004625 -0.001211 -0.066268 -0.024856 0.012226 0.012630 1.716402 1.561181 0.366916 -0.093687 2.004792 -0.313822 1.583232 -0.000001 75 H 37.764290 5.622074 6.905624 0.102532 1.240783 0.91460432E+01 0.91594259E+02 1.817276 1.701386 -0.902035 2.437239 0.998752 3.426360 9.268359 0.515309 1.186871 -0.732269 0.015054 0.013793 -0.024696 0.032043 0.010752 -0.005777 0.001216 0.000275 0.046028 -0.019138 0.002334 0.016804 1.882423 1.893210 0.374090 -0.441482 1.822909 -0.371391 1.931149 0.000001 76 H 36.439057 4.075073 6.123706 0.094370 1.167507 0.82008709E+01 0.78810489E+02 1.653467 1.540544 -0.714665 2.522923 0.999803 3.178937 8.047788 0.587304 1.085224 -0.759380 0.002720 -0.010535 -0.027665 0.029727 0.016672 -0.006690 0.006528 0.000539 0.024645 -0.023533 0.010945 0.012588 1.670260 1.325736 -0.032564 -0.090385 1.441323 0.222579 2.243721 -0.000001 77 H 38.383377 10.659602 9.409340 0.111758 1.014347 0.71103957E+01 0.68569908E+02 1.735021 1.607552 -1.059380 2.371097 0.996695 3.684737 10.619714 0.466014 1.362911 -0.689787 -0.014414 -0.003587 -0.027538 0.031289 -0.009404 0.010985 -0.001760 -0.012534 0.005025 -0.016801 0.001931 0.014871 1.804078 1.635115 0.157114 0.536162 1.534625 0.227303 2.242493 0.000000 78 H 38.022243 12.748333 10.238647 0.101617 1.161586 0.81947840E+01 0.79743681E+02 1.730865 1.603078 -0.782205 2.497154 0.999448 3.303370 8.771722 0.535235 1.175988 -0.734891 -0.025052 0.023348 -0.019066 0.039195 -0.010435 0.016254 0.008059 -0.017014 -0.003462 -0.026086 0.012014 0.014072 1.775312 1.674829 -0.325069 0.310587 1.844937 -0.421739 1.806170 -0.000008 79 H 36.361672 8.367955 8.716935 0.107558 1.122419 0.79021377E+01 0.78087597E+02 1.846637 1.687106 -1.131300 2.335951 0.995628 3.728724 10.807862 0.458878 1.350738 -0.692714 -0.007781 -0.020079 0.024651 0.032732 -0.000234 -0.008458 -0.011786 0.013243 0.008446 -0.016707 0.001215 0.015492 1.985680 1.676674 0.058877 -0.112543 2.029153 -0.762200 2.251212 0.000001 80 H 34.530207 9.481200 8.145635 0.099324 1.098531 0.67804910E+01 0.63336277E+02 1.703528 1.472928 -0.893276 2.442538 0.998705 3.345467 8.888990 0.546489 1.199867 -0.726506 -0.028618 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-0.056927 -0.007059 0.063986 13.030650 12.837917 2.499030 -1.002185 11.109252 -7.055874 15.144782 0.000001 1373 N 19.543149 6.043171 13.273120 -0.358260 43.245543 0.55518990E+03 0.13624063E+05 10.181337 7.539721 0.151205 2.050925 0.999169 29.314526 81.110483 0.650041 0.383973 -1.106034 0.014288 0.086782 -0.039329 0.096343 0.006405 0.051754 0.002088 0.006437 0.044420 -0.047656 -0.010744 0.058401 12.375466 9.540625 2.932879 2.933735 16.522821 -3.886523 11.062953 0.000000 1374 N 36.399720 31.812749 15.444324 -0.350398 43.174888 0.58945874E+03 0.14702122E+05 10.234542 7.831420 0.004027 2.007967 0.997749 29.578305 82.855757 0.629391 0.390175 -1.100197 0.034302 -0.008943 0.088709 0.095529 -0.042410 -0.016094 0.030864 0.021059 -0.019193 -0.047342 -0.014680 0.062022 12.322592 12.398714 -3.338703 4.644160 8.263203 -0.917359 16.305858 0.000001 1375 N 35.740005 30.931089 12.351141 -0.356930 42.532053 0.57372355E+03 0.14165440E+05 10.010265 7.637884 0.185521 2.062283 0.999190 29.259592 80.657362 0.650585 0.381307 -1.110268 0.008620 -0.062351 -0.065283 0.090686 0.052809 -0.031730 -0.001148 -0.018785 -0.037478 -0.060084 -0.005939 0.066023 11.472278 9.167625 1.503220 -3.355578 11.793643 4.317949 13.455566 0.000000 1376 N 33.361036 31.809771 14.439151 -0.350883 43.552884 0.55928073E+03 0.13752196E+05 10.261619 7.588473 0.149856 2.055522 0.998475 29.197379 80.916681 0.645140 0.386109 -1.104297 -0.081589 -0.038729 0.031977 0.095809 -0.031935 0.007994 -0.050970 0.001176 0.011351 -0.056929 -0.007061 0.063990 13.030651 20.451967 1.672517 -1.586624 9.525576 -3.803996 9.114410 0.000001 1377 N 15.005114 17.148444 8.683763 -0.358260 43.245562 0.55519023E+03 0.13624072E+05 10.181341 7.539723 0.151205 2.050925 0.999169 29.314526 81.110484 0.650041 0.383973 -1.106034 0.082300 -0.047419 -0.016134 0.096343 0.028099 -0.003581 0.025831 -0.042882 -0.107851 -0.047656 -0.010744 0.058401 12.375471 17.317229 -2.309340 -0.834911 13.623880 2.759439 6.185303 0.000000 1378 N 45.750509 19.766617 9.575465 -0.350398 43.174934 0.58945965E+03 0.14702150E+05 10.234551 7.831427 0.004022 2.007965 0.997748 29.578308 82.855774 0.629391 0.390175 -1.100197 0.009406 0.095028 0.002654 0.095529 0.013585 -0.017622 -0.006630 -0.019668 0.173759 -0.047342 -0.014680 0.062022 12.322603 6.405684 1.480716 -0.394773 18.894408 2.840813 11.667716 0.000001 1379 N 44.657111 16.806837 10.483490 -0.356930 42.532020 0.57372270E+03 0.14165414E+05 10.010259 7.637878 0.185523 2.062283 0.999190 29.259586 80.657335 0.650585 0.381307 -1.110268 -0.049688 -0.048669 0.058192 0.090685 -0.009805 0.022845 -0.030885 0.089600 -0.071254 -0.060083 -0.005939 0.066022 11.472271 12.438960 1.815259 -1.050664 9.723875 -5.489808 12.253977 0.000000 1380 N 44.228587 17.942236 7.430851 -0.350883 43.552867 0.55928059E+03 0.13752192E+05 10.261616 7.588472 0.149856 2.055522 0.998475 29.197379 80.916681 0.645140 0.386109 -1.104297 -0.074335 0.013050 -0.059019 0.095809 -0.043001 -0.001193 0.032207 -0.056471 0.009643 -0.056929 -0.007061 0.063990 13.030646 13.705611 -1.998052 6.611662 10.241523 2.660012 15.144803 0.000001 1381 N 17.238986 13.903278 13.273120 -0.358261 43.245326 0.55518645E+03 0.13623951E+05 10.181291 7.539685 0.151200 2.050923 0.999169 29.314482 81.110160 0.650044 0.383971 -1.106036 -0.082299 -0.031018 -0.039329 0.096343 -0.005995 -0.027691 0.043774 0.007872 0.044417 -0.047654 -0.010751 0.058404 12.375418 17.317190 1.556951 1.898995 8.746173 4.483917 11.062890 0.000000 1382 N 18.737691 15.616708 15.444324 -0.350399 43.174765 0.58945700E+03 0.14702064E+05 10.234518 7.831404 0.004051 2.007975 0.997749 29.578251 82.855510 0.629392 0.390174 -1.100197 -0.009404 0.034178 0.088708 0.095529 0.012078 -0.018690 -0.029371 -0.083984 -0.019193 -0.047348 -0.014674 0.062021 12.322562 6.405668 -0.121372 -1.527609 14.256215 4.480644 16.305801 0.000001 1383 N 19.831089 15.486208 12.351141 -0.356929 42.531341 0.57371383E+03 0.14165116E+05 10.010100 7.637783 0.185562 2.062296 0.999190 29.259349 80.656009 0.650595 0.381303 -1.110273 0.049687 0.038641 -0.065284 0.090686 -0.018280 0.016853 -0.026899 0.100865 -0.037459 -0.060083 -0.005939 0.066023 11.472067 12.438789 0.385491 -2.061648 8.522137 -5.064847 13.455275 0.000000 1384 N 20.259613 12.986619 14.439151 -0.350884 43.552924 0.55928162E+03 0.13752225E+05 10.261624 7.588479 0.149827 2.055511 0.998474 29.197425 80.916844 0.645139 0.386109 -1.104297 0.074336 -0.051294 0.031977 0.095809 0.015451 0.040140 0.032409 -0.055904 0.011349 -0.056927 -0.007059 0.063986 13.030649 13.705641 -5.567514 4.087666 16.271898 0.527959 9.114407 0.000001 1385 N 13.311654 3.735142 1.273183 -0.358244 43.244992 0.55518096E+03 0.13623802E+05 10.181307 7.539696 0.151147 2.050913 0.999168 29.314244 81.109837 0.650037 0.383976 -1.106030 0.014207 -0.008295 0.094933 0.096348 0.033038 -0.000087 0.012895 -0.079499 -0.027287 -0.047675 -0.010734 0.058409 12.375433 6.063185 1.735880 2.025501 12.704173 -0.894316 18.358941 0.000000 1386 N 28.650173 11.742689 24.845239 -0.350398 43.175032 0.58946035E+03 0.14702178E+05 10.234586 7.831442 0.004032 2.007968 0.997749 29.578349 82.856053 0.629389 0.390176 -1.100195 -0.052698 -0.070032 -0.038003 0.095529 -0.015018 -0.037849 0.018121 0.050341 -0.079888 -0.047344 -0.014679 0.062023 12.322667 11.398278 2.688070 0.458953 15.836233 5.687289 9.733490 0.000001 1387 N 31.100402 13.919102 25.045063 -0.356930 42.531627 0.57371789E+03 0.14165247E+05 10.010155 7.637819 0.185546 2.062291 0.999190 29.259449 80.656478 0.650592 0.381304 -1.110272 0.075615 0.033701 -0.037023 0.090687 -0.009163 0.023299 -0.056254 0.017838 0.039701 -0.060081 -0.005945 0.066025 11.472134 16.586201 1.620685 -1.188275 8.565996 -3.614066 9.264204 0.000000 1388 N 27.952410 14.848606 25.177488 -0.350884 43.553067 0.55928312E+03 0.13752278E+05 10.261664 7.588502 0.149824 2.055510 0.998474 29.197484 80.917191 0.645136 0.386110 -1.104296 -0.055725 0.062038 -0.047174 0.095809 -0.013531 0.019646 0.049184 -0.008453 0.090760 -0.056927 -0.007060 0.063987 13.030716 11.002526 -6.394063 3.503248 16.218721 -0.408901 11.870900 0.000001 1389 N 18.932446 2.445416 3.097131 -0.358261 43.246964 0.55520622E+03 0.13624607E+05 10.181672 7.539900 0.151137 2.050904 0.999168 29.314938 81.112899 0.650022 0.383980 -1.106026 -0.014204 0.086733 -0.039465 0.096342 -0.010934 -0.031178 0.026806 -0.040111 0.090786 -0.047662 -0.010745 0.058407 12.375947 6.063381 -2.488417 -0.961458 17.169345 -2.472883 13.895114 0.000000 1390 N 35.838027 27.338546 2.789367 -0.350398 43.175152 0.58946235E+03 0.14702242E+05 10.234606 7.831459 0.004001 2.007958 0.997748 29.578395 82.856246 0.629387 0.390176 -1.100195 0.052698 -0.059173 -0.053360 0.095529 0.040684 0.001536 0.018740 0.052083 -0.074669 -0.047346 -0.014672 0.062017 12.322692 11.398302 -1.328738 -2.381346 13.986331 6.341353 11.583442 0.000001 1391 N 33.387798 28.252413 4.774700 -0.356929 42.531384 0.57371413E+03 0.14165122E+05 10.010099 7.637780 0.185557 2.062295 0.999190 29.259346 80.655943 0.650596 0.381303 -1.110273 -0.075615 -0.023672 0.044114 0.090686 -0.018917 0.016401 -0.052791 0.027623 0.069072 -0.060080 -0.005945 0.066024 11.472072 16.586108 0.580113 -1.924097 6.915016 -3.030356 10.915091 0.000000 1392 N 36.535790 28.687099 5.606903 -0.350884 43.553044 0.55928259E+03 0.13752261E+05 10.261665 7.588501 0.149847 2.055518 0.998474 29.197443 80.917056 0.645136 0.386111 -1.104296 0.055724 -0.023796 0.074216 0.095809 -0.014022 0.019300 0.025322 -0.075947 -0.111722 -0.056924 -0.007065 0.063989 13.030721 11.002533 -1.171584 7.196140 12.096970 1.048289 15.992660 0.000001 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000173 The total net atomic charge of the unit cell is 0.000019 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= 1772270 The rms potential error without charges in kcal/mol is= 4.92555 The rms potential error with partial charges in kcal/mol is= 1.42249 The RRMSE value at monopole order= 0.28880 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.42927 The RRMSE value at monopole order with cloud penetration is= 0.29018 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.47491 The RRMSE value at dipole order= 0.09642 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.48087 The RRMSE value at dipole order with cloud penetration= 0.09763 ****************************************************** 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.