# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.005369 1.305160 36.069802 2 2.892064 1.669734 0.000000 11.033125 1.305161 36.149038 3 5.784136 1.669734 0.000000 10.995087 1.305158 36.842518 4 10.122236 4.174342 0.000000 11.023162 1.305156 36.201861 5 4.338100 4.174342 0.000000 11.024700 1.305158 36.667117 6 7.230172 4.174342 0.000000 10.986822 1.305155 36.217438 7 11.568268 6.678943 0.000000 11.055933 1.305158 36.581786 8 5.784132 6.678943 0.000000 11.041409 1.305160 36.226919 9 8.676204 6.678943 0.000000 11.026812 1.305156 36.207956 10 0.000000 0.000000 2.361358 11.010879 1.280316 17.343113 11 2.892064 0.000000 2.361358 10.978092 1.280315 17.077640 12 5.784136 0.000000 2.361358 10.948802 1.280318 17.008563 13 1.446032 2.504601 2.361358 10.978634 1.280315 17.147395 14 4.338096 2.504601 2.361358 10.989074 1.280314 17.144009 15 7.230168 2.504601 2.361358 10.949753 1.280316 17.051228 16 2.892068 5.009209 2.361358 11.001162 1.280318 17.286226 17 5.784132 5.009209 2.361358 10.968434 1.280316 17.079672 18 8.676204 5.009209 2.361358 10.961637 1.280319 17.113533 19 1.414824 0.781624 4.731638 11.005022 1.277174 17.189383 20 4.326474 0.774674 4.714182 11.014880 1.279272 17.241529 21 7.228034 0.763065 4.783858 10.996752 1.302298 17.613327 22 2.864361 3.285999 4.742147 10.999121 1.276360 17.251688 23 5.767647 3.274887 4.739101 11.014101 1.276808 17.359367 24 8.670686 3.284129 4.784351 10.999017 1.306245 17.507680 25 4.301777 5.788511 4.751197 11.004488 1.267129 17.433862 26 7.217392 5.785994 4.723124 11.003109 1.274350 17.211054 27 10.131259 5.777128 4.783644 11.004348 1.300734 17.634998 28 8.662006 1.565983 7.216801 11.031615 1.213325 17.590979 29 2.864126 1.541924 7.070329 11.029418 1.260100 16.864314 30 5.742963 1.555381 7.116351 11.031608 1.260634 17.179902 31 10.104767 4.033090 7.271208 11.037647 1.269289 17.844262 32 4.289908 4.058908 7.113113 11.033692 1.243993 17.099989 33 7.148790 4.077219 7.121991 11.013055 1.273762 17.176515 34 11.532583 6.554665 7.438483 11.042870 1.293728 18.826918 35 5.734417 6.577867 7.058877 11.030085 1.227486 16.868377 36 8.663589 6.560706 7.062501 11.007402 1.273563 16.815553 37 1.602741 0.583665 9.236748 10.971740 1.114401 33.631107 38 4.265194 0.629176 9.238443 10.929570 1.140691 23.104963 39 7.140712 1.008984 9.291992 10.914651 1.084185 25.317465 40 3.079509 3.000031 9.248500 10.951100 1.104126 29.776329 41 5.678460 3.118336 9.412537 10.874630 0.927443 14.717503 42 8.386020 3.356306 9.303744 10.950478 1.132265 28.541744 43 4.674888 5.565907 9.240694 10.958940 1.087705 28.812635 44 7.218481 5.837126 9.243246 10.965025 1.115469 25.254482 45 9.715444 5.682514 9.313309 10.985435 1.119968 35.874761 46 5.773378 3.041846 11.362657 3.299043 0.303074 13.983389 47 5.798213 2.066681 12.084490 7.018498 0.719099 52.339510 48 5.807935 4.070817 11.814256 0.898762 0.271992 22.570631 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0050 VACUUM VOLUME: 270.0071 NUMBER OF ELECTRONS: 506.0000