# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.657966 1.473775 0.000000 11.012022 1.132777 26.739099 2 2.552653 1.473775 0.000000 11.022228 1.126779 27.411536 3 5.105313 1.473775 0.000000 11.040074 1.117052 27.339062 4 8.934296 3.684444 0.000000 11.011633 1.125871 26.966233 5 3.828983 3.684444 0.000000 11.014661 1.117052 27.407053 6 6.381643 3.684444 0.000000 11.021136 1.127926 26.910196 7 10.210623 5.895106 0.000000 11.013643 1.117964 26.853413 8 5.105309 5.895106 0.000000 11.041503 1.132777 27.155263 9 7.657970 5.895106 0.000000 11.041908 1.125871 27.238944 10 0.000000 0.000000 2.084231 10.959397 1.117998 11.650351 11 2.552653 0.000000 2.084231 10.990715 1.103330 11.784091 12 5.105313 0.000000 2.084231 10.978493 1.103420 11.724319 13 1.276326 2.210662 2.084231 10.978140 1.103330 11.719836 14 3.828979 2.210662 2.084231 10.957270 1.104338 11.609258 15 6.381640 2.210662 2.084231 10.994345 1.117087 11.799782 16 2.552657 4.421331 2.084231 10.998669 1.103420 11.817713 17 5.105309 4.421331 2.084231 10.978444 1.117087 11.719089 18 7.657970 4.421331 2.084231 10.954312 1.102872 11.610752 19 1.278099 0.753103 4.176455 10.984021 1.129511 11.738515 20 3.829297 0.752996 4.170130 11.020130 1.125779 11.881968 21 6.381176 0.752705 4.177471 10.990138 1.113625 11.761677 22 2.553859 2.960449 4.170150 10.996444 1.125925 11.766907 23 5.105857 2.960880 4.170537 10.982257 1.108647 11.699663 24 7.658115 2.961576 4.173485 11.017171 1.114110 11.857312 25 3.829442 5.169532 4.172977 11.014439 1.109603 11.863290 26 6.382972 5.172895 4.174299 10.990989 1.116024 11.741504 27 8.934522 5.174089 4.173973 10.981815 1.100435 11.701157 28 7.658510 1.504693 6.263065 10.960867 1.108006 11.645868 29 2.565166 1.508195 6.277972 11.005673 1.122151 11.902889 30 5.092969 1.508553 6.276894 10.992492 1.120957 11.842369 31 8.937310 3.707888 6.253649 10.987072 1.115566 11.742251 32 3.829343 3.691328 6.270081 10.977455 1.093825 11.764665 33 6.378071 3.708259 6.255622 10.993810 1.100891 11.777367 34 10.212533 5.921229 6.252571 10.984393 1.101311 11.722825 35 5.103812 5.921760 6.253791 10.970904 1.101108 11.669777 36 7.657905 5.929798 6.259730 10.961991 1.106577 11.633914 37 0.030230 0.027423 8.335257 11.049471 1.119679 26.893759 38 2.541495 0.011128 8.330254 10.976408 1.128492 17.714242 39 5.119507 0.012926 8.325739 10.963038 1.122070 17.890570 40 1.314187 2.242283 8.347276 10.992494 1.113534 22.436246 41 3.829006 2.236282 8.500982 10.802975 0.727539 12.959362 42 6.385652 2.242257 8.346523 11.003106 1.118313 22.794880 43 2.596835 4.456839 8.325088 11.029868 1.091112 22.095545 44 5.110804 4.454683 8.329237 11.005527 1.124439 22.209112 45 7.659900 4.444026 8.334342 11.020827 1.130845 25.164101 46 3.800495 1.975604 10.461524 2.775190 0.069491 11.919326 47 3.791850 0.909923 11.044503 7.662101 0.687815 50.302051 48 3.796571 2.927594 11.049913 0.894224 0.278791 23.299955 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0041 VACUUM VOLUME: 196.0147 NUMBER OF ELECTRONS: 506.0000