# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.657966 1.473775 0.000000 11.015123 1.135585 27.081294 2 2.552653 1.473775 0.000000 11.016891 1.126779 27.307682 3 5.105313 1.473775 0.000000 11.042083 1.117052 27.731317 4 8.934296 3.684444 0.000000 11.016685 1.125871 27.185149 5 3.828983 3.684444 0.000000 11.015835 1.117052 27.399581 6 6.381643 3.684444 0.000000 11.017519 1.127926 27.212793 7 10.210623 5.895106 0.000000 11.009481 1.117964 26.949796 8 5.105309 5.895106 0.000000 11.046009 1.132777 27.543782 9 7.657970 5.895106 0.000000 11.042211 1.125871 27.537058 10 0.000000 0.000000 2.084231 10.958097 1.117998 11.631672 11 2.552653 0.000000 2.084231 10.982227 1.103330 11.704893 12 5.105313 0.000000 2.084231 10.974990 1.101631 11.674260 13 1.276326 2.210662 2.084231 11.006181 1.103330 11.817713 14 3.828979 2.210662 2.084231 10.955459 1.104338 11.583854 15 6.381640 2.210662 2.084231 10.995341 1.117087 11.768401 16 2.552657 4.421331 2.084231 10.996457 1.101631 11.781103 17 5.105309 4.421331 2.084231 10.975913 1.117087 11.678743 18 7.657970 4.421331 2.084231 10.950104 1.102872 11.568164 19 1.283636 0.744309 4.163988 10.986093 1.119691 11.684720 20 3.828972 0.739447 4.161202 11.018608 1.114649 11.819955 21 6.375751 0.742458 4.164496 10.987965 1.108867 11.694433 22 2.553955 2.949499 4.164557 10.991936 1.112019 11.707135 23 5.105045 2.949473 4.163642 10.992404 1.107780 11.707135 24 7.657652 2.949592 4.162341 11.012792 1.113862 11.790816 25 3.829205 5.151175 4.167364 11.010629 1.107357 11.808000 26 6.380483 5.162735 4.162137 10.984857 1.113860 11.659317 27 8.936019 5.162476 4.163703 10.982739 1.111386 11.655581 28 7.658360 1.484379 6.226743 10.963912 1.097874 11.588337 29 2.564618 1.488067 6.263980 10.999797 1.122883 11.783344 30 5.095737 1.488438 6.261113 10.997242 1.103301 11.778114 31 8.937432 3.693801 6.240878 10.989884 1.099542 11.726561 32 3.829913 3.674409 6.268658 10.979801 1.099250 11.700410 33 6.378370 3.695499 6.238803 10.982198 1.115023 11.683973 34 10.212430 5.902825 6.230872 10.987441 1.101479 11.689203 35 5.104096 5.904729 6.229082 10.989152 1.096379 11.703399 36 7.657828 5.909490 6.242504 10.957362 1.098145 11.575636 37 0.014041 0.011812 8.307293 11.019924 1.131674 26.951290 38 2.555329 0.014730 8.312134 11.024120 1.110784 22.035773 39 5.139491 0.017044 8.309368 11.028356 1.132639 21.452994 40 1.313284 2.224576 8.312276 11.003178 1.086231 23.003335 41 3.828141 2.213746 8.400803 10.833348 0.827843 12.372100 42 6.404659 2.226698 8.309164 11.024273 1.112011 22.304000 43 2.585590 4.442109 8.314411 11.003569 1.101253 23.489732 44 5.114507 4.443362 8.313842 11.000727 1.111098 23.134834 45 7.657847 4.431836 8.323380 11.024358 1.127225 27.059627 46 3.888359 2.055208 10.239892 4.385686 0.520591 19.094233 47 3.931071 1.944872 11.390760 5.817136 0.108298 50.917705 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0039 VACUUM VOLUME: 199.1349 NUMBER OF ELECTRONS: 505.0000