# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.020531 1.305160 35.828709 2 2.892064 1.669734 0.000000 11.002529 1.305161 36.679307 3 5.784136 1.669734 0.000000 11.024480 1.305158 36.791049 4 10.122236 4.174342 0.000000 11.039062 1.305156 36.340016 5 4.338100 4.174342 0.000000 10.993921 1.305158 36.490360 6 7.230172 4.174342 0.000000 11.004020 1.305155 35.960768 7 11.568268 6.678943 0.000000 11.040415 1.305158 35.991921 8 5.784132 6.678943 0.000000 11.053718 1.305160 36.287192 9 8.676204 6.678943 0.000000 11.008256 1.305156 35.844963 10 0.000000 0.000000 2.361358 10.953840 1.280316 16.984183 11 2.892064 0.000000 2.361358 10.969045 1.280315 17.053937 12 5.784136 0.000000 2.361358 10.953950 1.280318 16.952353 13 1.446032 2.504601 2.361358 11.000137 1.280315 17.251010 14 4.338096 2.504601 2.361358 11.018147 1.280314 17.310606 15 7.230168 2.504601 2.361358 10.979474 1.280316 17.118274 16 2.892068 5.009209 2.361358 10.989580 1.280318 17.171098 17 5.784132 5.009209 2.361358 11.000359 1.280316 17.249656 18 8.676204 5.009209 2.361358 10.930114 1.280319 16.858896 19 1.448427 0.836340 4.746178 10.976295 1.298309 17.083058 20 4.338438 0.831734 4.730459 11.029190 1.283421 17.376298 21 7.228420 0.836768 4.746993 11.002489 1.296758 17.255751 22 2.888871 3.341256 4.730223 11.006795 1.282851 17.226630 23 5.787451 3.341076 4.730094 11.007162 1.286347 17.231371 24 8.676473 3.338093 4.749717 11.019889 1.298842 17.391874 25 4.338278 5.845571 4.743948 10.998766 1.288550 17.228662 26 7.227852 5.845511 4.748494 10.994375 1.297484 17.221212 27 10.123937 5.845083 4.749417 10.995429 1.297509 17.229339 28 8.678911 1.669756 7.130912 10.990120 1.293048 17.441989 29 2.898875 1.670245 7.116115 10.990933 1.282513 17.346500 30 5.779690 1.671830 7.118217 10.987152 1.296828 17.332278 31 10.131346 4.169188 7.130634 10.970619 1.294402 17.328214 32 4.340230 4.167332 7.108266 10.990350 1.308690 17.350563 33 7.225379 4.170187 7.128275 10.981269 1.302541 17.390519 34 11.570442 6.675058 7.131041 10.978925 1.291894 17.372911 35 5.785091 6.675374 7.131384 10.977499 1.292377 17.347854 36 8.677107 6.683557 7.126966 10.989123 1.290087 17.441989 37 4.342308 7.506882 9.555535 11.017635 1.316416 36.275002 38 7.231357 7.500007 9.548265 10.993770 1.313490 33.742849 39 10.130630 7.497873 9.545691 10.997880 1.320637 34.021190 40 1.446279 2.497245 9.553691 10.976563 1.312294 33.362247 41 4.343453 2.495502 9.520922 11.039062 1.106115 21.227689 42 7.242115 2.497778 9.550474 10.994306 1.312199 33.702216 43 2.896623 5.002146 9.555127 10.986018 1.316343 33.132667 44 5.791346 5.003506 9.553927 10.976406 1.311115 33.274208 45 8.681033 5.002680 9.553219 11.015386 1.315773 36.184253 46 4.291691 2.620396 11.172651 1.129808 0.451489 36.478847 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0052 VACUUM VOLUME: 274.8947 NUMBER OF ELECTRONS: 496.0000