# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.043733 1.305160 36.201184 2 2.892064 1.669734 0.000000 11.016479 1.305161 36.019010 3 5.784136 1.669734 0.000000 11.047136 1.305158 36.535057 4 10.122236 4.174342 0.000000 11.022936 1.305156 35.796879 5 4.338100 4.174342 0.000000 10.986181 1.305158 36.356946 6 7.230172 4.174342 0.000000 11.004507 1.305155 36.320376 7 11.568268 6.678943 0.000000 11.017137 1.305158 35.841576 8 5.784132 6.678943 0.000000 10.997080 1.305160 36.080638 9 8.676204 6.678943 0.000000 11.057890 1.305156 36.572305 10 0.000000 0.000000 2.361358 10.988105 1.280316 17.150781 11 2.892064 0.000000 2.361358 10.997112 1.280315 17.209700 12 5.784136 0.000000 2.361358 10.927748 1.280318 16.819617 13 1.446032 2.504601 2.361358 10.952883 1.280315 16.959803 14 4.338096 2.504601 2.361358 11.014363 1.280314 17.306543 15 7.230168 2.504601 2.361358 10.987901 1.280316 17.143331 16 2.892068 5.009209 2.361358 10.971126 1.280318 17.061387 17 5.784132 5.009209 2.361358 10.985791 1.280316 17.108116 18 8.676204 5.009209 2.361358 10.958013 1.280319 16.972670 19 1.438943 0.835062 4.739058 11.008136 1.287104 17.230694 20 4.342043 0.828916 4.735198 10.990335 1.288048 17.132496 21 7.234541 0.835453 4.747915 10.978150 1.297315 17.087799 22 2.892632 3.346193 4.734662 11.016639 1.289813 17.299771 23 5.789763 3.336440 4.722931 11.014815 1.280436 17.260492 24 8.678772 3.337251 4.736785 10.991870 1.289830 17.120983 25 4.337323 5.847991 4.731724 11.017711 1.285985 17.277422 26 7.237868 5.849170 4.724690 11.019639 1.285675 17.261846 27 10.121985 5.844948 4.746264 10.984574 1.286939 17.084413 28 8.663845 1.688038 7.137303 10.981027 1.278144 17.352595 29 2.896688 1.673250 7.094305 10.991762 1.284463 17.268618 30 5.782661 1.682673 7.122956 10.982321 1.305084 17.348531 31 10.132999 4.178257 7.117359 10.981991 1.305395 17.313993 32 4.349058 4.173050 7.102540 10.977363 1.292293 17.290967 33 7.230901 4.179542 7.095613 10.989675 1.307989 17.299771 34 11.577192 6.673450 7.126259 10.988029 1.292501 17.389165 35 5.790158 6.681716 7.099838 11.000971 1.305401 17.231371 36 8.677471 6.684443 7.117938 10.970653 1.297863 17.159585 37 8.664435 0.054039 9.512987 10.990318 1.299397 32.895638 38 7.240718 7.539936 9.490727 10.987289 1.284781 29.825767 39 10.141584 7.511210 9.512708 11.015893 1.304777 33.608081 40 10.097912 2.521372 9.522466 10.989025 1.297414 30.346554 41 4.289544 2.456227 9.527999 10.957830 1.090752 19.530557 42 7.199094 2.553839 9.602779 10.952667 1.325814 29.224389 43 11.597680 5.010126 9.567480 10.960995 1.326258 27.783926 44 5.834337 5.115477 9.457079 10.929900 1.012863 18.797798 45 8.720904 5.031540 9.495895 10.982437 1.310294 30.654016 46 5.516193 4.314708 11.374388 3.668234 0.355240 11.502028 47 4.486632 3.307286 11.534993 2.773317 0.078868 8.755871 48 6.081964 4.777506 12.514256 7.064838 0.648099 44.919131 49 5.643786 4.366388 13.295922 0.357976 0.053971 10.387989 50 3.936995 2.917455 12.558520 7.502159 0.837447 52.938856 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0054 VACUUM VOLUME: 227.0201 NUMBER OF ELECTRONS: 516.0000