# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.043008 1.305160 36.170032 2 2.892064 1.669734 0.000000 11.009860 1.305161 36.384036 3 5.784136 1.669734 0.000000 11.016267 1.305158 36.268230 4 10.122236 4.174342 0.000000 11.038528 1.305156 36.082669 5 4.338100 4.174342 0.000000 11.036061 1.305158 36.409093 6 7.230172 4.174342 0.000000 11.018311 1.305155 36.010883 7 11.568268 6.678943 0.000000 11.002667 1.305158 35.719676 8 5.784132 6.678943 0.000000 11.019988 1.305160 35.821937 9 8.676204 6.678943 0.000000 11.016403 1.305156 35.923521 10 0.000000 0.000000 2.361358 10.927049 1.280316 16.822326 11 2.892064 0.000000 2.361358 10.996200 1.280315 17.205636 12 5.784136 0.000000 2.361358 10.972258 1.280318 17.042424 13 1.446032 2.504601 2.361358 10.977962 1.280315 17.088476 14 4.338096 2.504601 2.361358 11.024085 1.280314 17.343791 15 7.230168 2.504601 2.361358 10.960404 1.280316 16.980120 16 2.892068 5.009209 2.361358 10.990321 1.280318 17.163648 17 5.784132 5.009209 2.361358 10.987315 1.280316 17.155521 18 8.676204 5.009209 2.361358 10.934574 1.280319 16.857541 19 1.453654 0.839638 4.733225 10.997819 1.292125 17.133850 20 4.338595 0.834965 4.730931 11.016845 1.284982 17.225953 21 7.222793 0.839841 4.733890 11.028547 1.284283 17.330246 22 2.892320 3.340031 4.732475 10.997979 1.286188 17.113533 23 5.784071 3.340212 4.732582 10.983480 1.286145 17.018044 24 8.676421 3.336350 4.735670 10.992997 1.287415 17.093894 25 4.338139 5.832888 4.736807 11.002244 1.285469 17.169743 26 7.228849 5.844670 4.735498 11.015217 1.287666 17.240175 27 10.123750 5.844474 4.735477 10.979677 1.289156 17.009240 28 8.676803 1.669020 7.088987 10.982533 1.300801 17.207668 29 2.900679 1.675595 7.114335 10.974710 1.298786 17.183288 30 5.776362 1.675775 7.115450 10.960865 1.293802 17.097957 31 10.124917 4.175304 7.100546 10.984477 1.294820 17.251010 32 4.338490 4.162816 7.124050 10.979272 1.290222 17.197510 33 7.229730 4.175319 7.100653 10.991217 1.307902 17.299771 34 11.570580 6.680528 7.087421 10.996719 1.300655 17.303834 35 5.782553 6.680701 7.086906 10.986037 1.298608 17.237466 36 8.677055 6.682745 7.099452 10.976750 1.295496 17.179224 37 0.005882 0.006447 9.509427 11.005023 1.306936 36.371845 38 2.901252 0.017116 9.484894 11.044281 1.293404 30.351972 39 5.815674 0.015779 9.486481 11.032139 1.308936 30.492158 40 1.472260 2.512175 9.490920 11.016036 1.286249 31.870993 41 4.340868 2.520643 9.538958 10.911179 1.024384 18.776804 42 7.249035 2.511731 9.491670 11.035201 1.311635 32.724977 43 2.919658 5.026626 9.496624 11.021350 1.295914 33.564738 44 5.794166 5.026258 9.496474 11.016345 1.293176 33.658873 45 8.678000 5.014965 9.517105 11.007439 1.307430 36.504582 46 4.300051 2.197496 11.628474 2.709338 0.099062 15.811225 47 4.268595 1.970196 12.757770 7.377838 0.708506 58.434556 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0052 VACUUM VOLUME: 251.7525 NUMBER OF ELECTRONS: 505.0000