# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 10.999463 1.305160 36.539121 2 2.892064 1.669734 0.000000 11.004132 1.305161 36.562824 3 5.784136 1.669734 0.000000 11.007639 1.305158 36.541829 4 10.122236 4.174342 0.000000 11.013649 1.305156 35.797557 5 4.338100 4.174342 0.000000 10.982058 1.305158 36.163259 6 7.230172 4.174342 0.000000 11.047779 1.305155 36.713168 7 11.568268 6.678943 0.000000 11.035767 1.305158 36.868253 8 5.784132 6.678943 0.000000 11.021864 1.305160 36.881120 9 8.676204 6.678943 0.000000 11.043043 1.305156 36.207956 10 0.000000 0.000000 2.361358 11.005282 1.280316 17.305189 11 2.892064 0.000000 2.361358 11.007820 1.280315 17.256428 12 5.784136 0.000000 2.361358 10.955974 1.280318 16.980797 13 1.446032 2.504601 2.361358 10.983461 1.280315 17.093217 14 4.338096 2.504601 2.361358 11.024027 1.252916 17.265232 15 7.230168 2.504601 2.361358 10.975683 1.261625 17.035652 16 2.892068 5.009209 2.361358 10.978247 1.280318 17.120983 17 5.784132 5.009209 2.361358 10.959884 1.280316 16.950999 18 8.676204 5.009209 2.361358 10.941981 1.280319 16.822326 19 1.420350 0.785997 4.759989 10.993129 1.301172 17.406096 20 4.322374 0.794653 4.741053 10.996587 1.304918 17.243561 21 7.213662 0.780745 4.763656 10.992457 1.284357 17.452824 22 2.879301 3.295918 4.738351 11.008263 1.303211 17.301803 23 5.739367 3.282979 4.693487 10.993896 1.244822 17.152813 24 8.665628 3.289644 4.698998 11.002185 1.269660 17.187351 25 4.310197 5.808295 4.768868 10.987580 1.288414 17.444697 26 7.205502 5.811338 4.707298 11.006850 1.274149 17.227985 27 10.098403 5.799083 4.746564 10.996067 1.302522 17.333632 28 8.633526 1.556884 7.193190 11.040243 1.298529 25.182696 29 2.850340 1.581236 7.166898 10.967308 1.312280 27.943752 30 5.745215 1.579057 7.179015 11.000900 1.303403 22.492072 31 10.119464 4.038350 7.089630 11.028318 1.238655 19.445904 32 4.303191 4.082456 7.184033 11.009284 1.300253 22.713526 33 7.170320 4.073725 6.952358 11.040364 1.253122 16.726159 34 11.501913 6.573209 7.234901 11.040985 1.314968 26.363781 35 5.723672 6.596780 7.204363 11.028469 1.306602 25.219267 36 8.611332 6.645597 7.095785 11.033604 1.245605 19.563064 37 6.019057 3.384558 9.208912 10.893932 0.849686 28.188908 38 8.518371 3.420647 9.130593 10.897492 1.099450 42.643647 39 7.285045 5.544433 9.135140 10.902301 1.101670 42.793314 40 9.766490 5.565562 9.151202 10.931947 1.105481 52.801379 41 5.650523 3.151412 10.652963 1.214660 0.408318 50.846901 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0054 VACUUM VOLUME: 337.2761 NUMBER OF ELECTRONS: 441.0000