# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.657966 1.473775 0.000000 11.013248 1.135585 26.869850 2 2.552653 1.473775 0.000000 11.019716 1.126779 26.943818 3 5.105313 1.473775 0.000000 11.021749 1.117052 27.291244 4 8.934296 3.684444 0.000000 11.042793 1.125871 27.224748 5 3.828983 3.684444 0.000000 11.030430 1.117052 27.910634 6 6.381643 3.684444 0.000000 11.018933 1.127926 27.309923 7 10.210623 5.895106 0.000000 11.014271 1.117964 26.934852 8 5.105309 5.895106 0.000000 11.039354 1.135585 27.342051 9 7.657970 5.895106 0.000000 11.017228 1.125871 27.348028 10 0.000000 0.000000 2.084231 10.961580 1.117998 11.646615 11 2.552653 0.000000 2.084231 10.983323 1.103330 11.734032 12 5.105313 0.000000 2.084231 10.978498 1.103420 11.737021 13 1.276326 2.210662 2.084231 10.981088 1.103330 11.744492 14 3.828979 2.210662 2.084231 10.953286 1.104338 11.601039 15 6.381640 2.210662 2.084231 11.004118 1.117087 11.838634 16 2.552657 4.421331 2.084231 11.007531 1.103420 11.856565 17 5.105309 4.421331 2.084231 10.969035 1.117087 11.671271 18 7.657970 4.421331 2.084231 10.953482 1.102872 11.597303 19 1.266861 0.743161 4.172896 11.003330 1.120574 11.813230 20 3.827666 0.742438 4.171167 11.016338 1.122555 11.866278 21 6.381961 0.746729 4.185301 10.983630 1.118593 11.756447 22 2.552297 2.960608 4.171777 10.987103 1.126425 11.734779 23 5.106730 2.951064 4.166184 10.983204 1.102999 11.723572 24 7.655328 2.953061 4.179180 11.016068 1.116587 11.882716 25 3.824825 5.167291 4.172570 11.013507 1.106166 11.864784 26 6.383033 5.168756 4.162280 10.982746 1.116597 11.695927 27 8.929862 5.166362 4.177065 10.993838 1.111365 11.760930 28 7.639690 1.505681 6.289442 10.967758 1.096636 11.742998 29 2.548874 1.492656 6.240145 10.997691 1.113203 11.762424 30 5.095614 1.501503 6.279172 10.995341 1.124522 11.860301 31 8.942540 3.701375 6.263818 10.988535 1.124351 11.772884 32 3.838755 3.693609 6.272237 10.992643 1.126867 11.877485 33 6.373055 3.707224 6.258408 10.992675 1.108431 11.793804 34 10.211733 5.902520 6.271546 10.988582 1.091469 11.808747 35 5.104425 5.907660 6.256029 11.009830 1.100594 11.793804 36 7.655573 5.914020 6.259079 10.955669 1.119877 11.592073 37 7.643940 0.051232 8.337250 11.001543 1.126239 23.356739 38 2.557535 0.029957 8.317381 10.982736 1.089782 19.296711 39 5.114576 0.015419 8.343839 10.998781 1.132990 23.467317 40 8.912762 2.234836 8.344083 10.974928 1.103085 20.399508 41 3.760042 2.161426 8.385855 10.919168 0.902300 13.007927 42 6.353615 2.269906 8.423804 10.938401 1.144453 19.984839 43 2.568880 4.439111 8.384574 10.952636 1.133642 19.523846 44 5.152383 4.528119 8.352685 10.896944 0.836462 12.826369 45 7.695479 4.454531 8.325922 10.987911 1.121832 20.844811 46 4.944978 3.817057 10.100950 3.669421 0.320627 10.720893 47 3.890480 2.788547 10.245749 3.304657 0.238433 9.739135 48 5.489529 4.263005 11.246388 7.059400 0.622760 42.381486 49 5.039451 3.823709 12.009206 0.396775 0.062820 10.618533 50 3.395799 2.429120 11.309656 7.034642 0.660132 50.409641 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0039 VACUUM VOLUME: 173.5807 NUMBER OF ELECTRONS: 516.0000