# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.036093 1.305160 36.598039 2 2.892064 1.669734 0.000000 11.057587 1.305161 36.592622 3 5.784136 1.669734 0.000000 11.039691 1.305158 36.298028 4 10.122236 4.174342 0.000000 10.991408 1.305156 36.012915 5 4.338100 4.174342 0.000000 11.019512 1.305158 36.041359 6 7.230172 4.174342 0.000000 11.011313 1.305155 35.879501 7 11.568268 6.678943 0.000000 10.986983 1.305158 36.430087 8 5.784132 6.678943 0.000000 11.027358 1.305160 36.511354 9 8.676204 6.678943 0.000000 11.013314 1.305156 36.352206 10 0.000000 0.000000 2.361358 11.018173 1.280316 17.356658 11 2.892064 0.000000 2.361358 10.981802 1.261627 17.108116 12 5.784136 0.000000 2.361358 10.969788 1.280318 17.121660 13 1.446032 2.504601 2.361358 10.997456 1.280315 17.208345 14 4.338096 2.504601 2.361358 11.007228 1.261628 17.221890 15 7.230168 2.504601 2.361358 10.964288 1.280316 17.051228 16 2.892068 5.009209 2.361358 10.959840 1.280318 17.080349 17 5.784132 5.009209 2.361358 10.948189 1.280316 16.973347 18 8.676204 5.009209 2.361358 10.946284 1.280319 17.058678 19 1.427443 0.761450 4.739552 11.013709 1.271710 17.295707 20 4.333263 0.755731 4.712337 11.006300 1.259754 17.150781 21 7.237582 0.753440 4.754585 11.003261 1.286887 17.504293 22 2.871610 3.278418 4.719972 11.008353 1.256586 17.190737 23 5.774393 3.272400 4.709206 11.012209 1.261614 17.171775 24 8.679432 3.264818 4.751668 10.998053 1.294698 17.336341 25 4.318978 5.795026 4.770926 10.997338 1.289921 17.515806 26 7.218334 5.785942 4.757566 11.001845 1.280687 17.374266 27 10.123924 5.779961 4.815254 11.001477 1.310763 17.748773 28 8.660765 1.489357 7.197157 11.035172 1.248667 17.461628 29 2.889383 1.536409 7.044680 11.019295 1.211612 16.705165 30 5.770823 1.518083 7.044251 11.017610 1.247214 16.838579 31 10.104090 3.995641 7.192161 11.025364 1.257114 17.403387 32 4.312679 4.040161 7.045409 11.013249 1.247162 16.778306 33 7.203944 4.025268 7.059713 11.006746 1.265662 16.850092 34 11.512003 6.504698 7.459928 11.054862 1.313796 19.106613 35 5.740547 6.554672 7.196793 11.036169 1.251590 17.437248 36 8.625045 6.555754 7.179551 11.028844 1.265061 17.344468 37 1.668316 0.815000 9.229178 10.968400 1.067434 35.576103 38 4.366207 0.846664 9.229650 10.963210 1.109387 31.887246 39 7.047604 1.005205 9.276551 10.978246 1.102521 35.701390 40 3.063610 3.114219 9.229543 10.977851 1.106018 32.343698 41 5.743106 3.162082 9.251117 10.961137 1.152559 28.858686 42 8.457469 3.205865 9.273270 10.974311 1.140636 32.162878 43 4.540099 5.374192 9.279489 10.978442 1.096611 35.862571 44 7.133450 5.492249 9.274278 10.963571 1.141124 31.816815 45 9.714190 5.492242 9.313416 10.973295 1.114963 36.878411 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0054 VACUUM VOLUME: 303.8590 NUMBER OF ELECTRONS: 495.0000