# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.657966 1.473775 0.000000 11.043050 1.132777 27.358488 2 2.552653 1.473775 0.000000 11.013939 1.126779 26.981176 3 5.105313 1.473775 0.000000 11.016379 1.117052 27.058880 4 8.934296 3.684444 0.000000 11.014645 1.125871 27.054397 5 3.828983 3.684444 0.000000 11.038934 1.117052 27.318142 6 6.381643 3.684444 0.000000 11.018676 1.127926 26.970716 7 10.210623 5.895106 0.000000 11.011436 1.117964 26.966233 8 5.105309 5.895106 0.000000 11.016006 1.132777 27.036465 9 7.657970 5.895106 0.000000 11.042252 1.125871 27.380903 10 0.000000 0.000000 2.084231 10.958680 1.117998 11.620465 11 2.552653 0.000000 2.084231 10.976024 1.103330 11.699663 12 5.105313 0.000000 2.084231 10.999801 1.103420 11.810242 13 1.276326 2.210662 2.084231 10.999596 1.103330 11.810242 14 3.828979 2.210662 2.084231 10.954017 1.104338 11.595062 15 6.381640 2.210662 2.084231 10.970751 1.117087 11.672018 16 2.552657 4.421331 2.084231 10.976088 1.103420 11.698916 17 5.105309 4.421331 2.084231 10.994462 1.117087 11.783344 18 7.657970 4.421331 2.084231 10.951250 1.102872 11.581613 19 1.276326 0.736887 4.168462 10.997476 1.119652 11.746734 20 3.828979 0.736887 4.168462 10.986496 1.109947 11.698916 21 6.381640 0.736887 4.168462 11.011943 1.102152 11.818460 22 2.552653 2.947549 4.168462 11.010534 1.109947 11.810989 23 5.105306 2.947549 4.168462 11.000298 1.103071 11.760182 24 7.657966 2.947549 4.168462 10.986997 1.118742 11.699663 25 3.828983 5.158218 4.168462 10.987891 1.102152 11.706387 26 6.381636 5.158218 4.168462 11.011079 1.118742 11.811736 27 8.934296 5.158218 4.168462 10.995660 1.109484 11.739262 28 7.657966 1.473775 6.252714 10.994495 1.101358 11.787080 29 2.552653 1.473775 6.252714 10.977698 1.121772 11.708629 30 5.105313 1.473775 6.252714 10.968692 1.109927 11.663800 31 8.934296 3.684444 6.252714 10.968828 1.120531 11.666041 32 3.828983 3.684444 6.252714 10.992557 1.109927 11.775873 33 6.381643 3.684444 6.252714 10.976857 1.110567 11.701905 34 10.210623 5.895106 6.252714 10.977777 1.109468 11.707882 35 5.105309 5.895106 6.252714 10.970785 1.101358 11.675754 36 7.657970 5.895106 6.252714 10.992665 1.120531 11.778114 37 0.000000 0.000000 8.336945 11.004983 1.117072 27.067099 38 2.552653 0.000000 8.336945 11.015946 1.133878 27.045431 39 5.105313 0.000000 8.336945 11.044690 1.116825 27.399581 40 1.276326 2.210662 8.336945 11.043495 1.133878 27.372684 41 3.828979 2.210662 8.336945 11.003748 1.124320 27.069340 42 6.381640 2.210662 8.336945 11.014061 1.117528 27.007326 43 2.552657 4.421331 8.336945 11.017396 1.116825 27.073823 44 5.105309 4.421331 8.336945 11.041582 1.117528 27.334579 45 7.657970 4.421331 8.336945 11.005278 1.136483 27.089513 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0041 VACUUM VOLUME: 227.7501 NUMBER OF ELECTRONS: 495.0000