# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.043505 1.305160 36.147006 2 2.892064 1.669734 0.000000 11.058940 1.305161 36.527608 3 5.784136 1.669734 0.000000 11.049189 1.305158 36.215406 4 10.122236 4.174342 0.000000 11.020842 1.305156 35.937743 5 4.338100 4.174342 0.000000 10.988953 1.305158 35.916749 6 7.230172 4.174342 0.000000 10.981558 1.305155 36.474784 7 11.568268 6.678943 0.000000 11.032998 1.305158 36.454467 8 5.784132 6.678943 0.000000 11.016922 1.305160 36.303445 9 8.676204 6.678943 0.000000 11.005468 1.305156 36.569596 10 0.000000 0.000000 2.361358 10.962581 1.280316 17.024817 11 2.892064 0.000000 2.361358 10.983634 1.280315 17.070868 12 5.784136 0.000000 2.361358 10.982919 1.280318 17.087799 13 1.446032 2.504601 2.361358 10.967958 1.280315 17.045133 14 4.338096 2.504601 2.361358 10.938532 1.280314 16.921201 15 7.230168 2.504601 2.361358 10.944777 1.280316 16.993664 16 2.892068 5.009209 2.361358 10.996386 1.280318 17.265232 17 5.784132 5.009209 2.361358 11.006373 1.280316 17.343791 18 8.676204 5.009209 2.361358 10.996851 1.280319 17.252365 19 1.432297 0.795645 4.706912 11.004045 1.277406 17.089830 20 4.337510 0.790318 4.704810 11.012510 1.280733 17.144686 21 7.215943 0.763072 4.730051 11.013455 1.253954 17.415577 22 2.887682 3.297586 4.757244 11.006585 1.289289 17.358690 23 5.781867 3.314259 4.779054 10.995637 1.307316 17.498876 24 8.660544 3.301846 4.753770 11.010201 1.282011 17.454179 25 4.310184 5.782425 4.773822 10.997068 1.248447 17.494135 26 7.227617 5.795154 4.730523 11.009951 1.274311 17.351240 27 10.133121 5.801616 4.754156 10.995464 1.294718 17.363430 28 8.636554 1.574632 7.047747 11.026354 1.248807 16.854833 29 2.878945 1.558064 7.076419 10.998486 1.272823 16.785755 30 5.806391 1.580650 7.064539 11.041885 1.252071 16.980797 31 10.101248 4.088024 7.128382 11.028525 1.268222 17.074931 32 4.322240 4.055158 7.251221 11.051350 1.273036 17.630258 33 7.219587 4.141958 7.302347 11.003343 1.291500 18.115830 34 11.599568 6.523355 7.432199 11.037516 1.259678 18.882451 35 5.759695 6.608426 7.045388 11.024026 1.247041 16.828421 36 8.700081 6.615346 7.062094 11.037804 1.242981 16.892080 37 1.340408 0.811664 9.216740 10.962601 1.134942 28.283720 38 4.382592 0.827796 9.176701 10.960809 1.099408 25.621540 39 7.262721 0.950159 9.256585 10.949165 1.100466 30.770499 40 2.750230 3.067340 9.245605 10.929583 1.124322 27.972873 41 5.711512 2.963635 9.330894 10.869524 0.869859 15.643273 42 8.843785 3.019778 9.258923 10.925617 1.115432 24.007030 43 4.925097 5.629106 9.352768 10.797161 1.016075 23.499787 44 7.239170 6.328882 9.247836 10.820779 0.899892 15.393376 45 9.792354 5.635936 9.250173 10.865526 1.107845 26.526992 46 6.706303 5.065931 10.789613 3.345307 0.273255 15.213911 47 5.879097 3.812718 11.089249 3.170032 0.223715 9.813023 48 7.920416 5.126117 11.063407 7.078382 0.693450 35.293022 49 5.345350 3.482719 12.119789 7.048044 0.691937 54.076598 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0049 VACUUM VOLUME: 273.1738 NUMBER OF ELECTRONS: 515.0000