# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.654987 1.665651 0.000000 11.051261 1.302918 35.177841 2 2.884993 1.665651 0.000000 11.035131 1.302920 35.711002 3 5.769994 1.665651 0.000000 11.023262 1.302916 35.097060 4 10.097488 4.164136 0.000000 11.002589 1.302915 34.798840 5 4.327494 4.164136 0.000000 10.996045 1.302916 34.735560 6 7.212495 4.164136 0.000000 11.019801 1.302913 35.119275 7 11.539985 6.662613 0.000000 11.071497 1.302916 35.433651 8 5.769990 6.662613 0.000000 11.035963 1.302918 35.041185 9 8.654992 6.662613 0.000000 11.040197 1.302915 35.145529 10 0.000000 0.000000 2.355585 11.005318 1.275719 17.316955 11 2.884993 0.000000 2.355585 10.973599 1.275717 17.195782 12 5.769994 0.000000 2.355585 10.958395 1.275720 17.135196 13 10.097484 2.498477 2.355585 10.933726 1.275717 16.986422 14 4.327489 2.498477 2.355585 10.945753 1.275716 17.106922 15 7.212491 2.498477 2.355585 10.951443 1.275719 17.097497 16 11.539984 4.996962 2.355585 10.979478 1.275720 17.245598 17 5.769990 4.996962 2.355585 10.926278 1.275719 16.972958 18 8.654992 4.996962 2.355585 11.015571 1.275721 17.364751 19 1.452181 0.840726 4.756070 11.036754 1.303933 17.579496 20 4.329536 0.838395 4.801698 10.985917 1.301855 17.498714 21 7.205203 0.839527 4.770015 11.038070 1.306428 17.636044 22 2.899919 3.329721 4.796450 11.021723 1.301317 17.672395 23 5.762417 3.328402 4.801613 10.989477 1.300164 17.531700 24 8.653659 3.335073 4.766781 10.997778 1.307091 17.358692 25 4.327325 5.817577 4.765645 11.016678 1.302636 17.535066 26 7.222457 5.826789 4.775628 11.020715 1.303525 17.518237 27 10.091304 5.832928 4.770315 11.013356 1.301334 17.455631 28 8.662859 1.657969 7.158954 11.107990 1.289282 17.469094 29 2.889242 1.673477 7.263558 11.129609 1.303465 17.901278 30 5.758310 1.680223 7.287015 11.149019 1.291233 18.077651 31 10.100846 4.167209 7.171786 11.114901 1.277818 17.555262 32 4.330069 4.160756 7.329152 11.137724 1.305346 18.311919 33 7.208029 4.156836 7.205268 11.131869 1.287180 17.750485 34 11.548267 6.665252 7.151735 11.113437 1.292129 17.471114 35 5.768748 6.671600 7.132562 11.091034 1.280401 17.298779 36 8.658969 6.677522 7.243721 11.126525 1.293866 17.891853 37 4.338153 7.475479 9.248220 10.875094 1.071419 31.033728 38 7.118957 7.409983 9.289008 10.809795 1.047873 23.355405 39 10.200599 7.426414 9.292071 10.837292 1.054328 27.123209 40 9.998302 2.557579 9.276561 10.835251 1.053733 25.840796 41 4.281817 2.428770 9.407728 10.761371 0.920774 15.663618 42 7.349720 2.489325 9.280739 10.856131 1.059374 28.508619 43 11.403945 5.091359 9.280653 10.856153 1.042123 28.218477 44 5.891281 5.151983 9.269171 10.859770 1.044126 27.114458 45 8.665633 4.961936 9.292521 10.881473 1.045182 31.431579 46 3.736367 1.657841 12.070633 7.039618 0.664316 52.335252 47 4.263728 2.469845 11.336458 3.274371 0.222118 14.144917 48 4.805236 3.347890 11.789383 0.921091 0.250136 22.941397 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0047 VACUUM VOLUME: 273.8010 NUMBER OF ELECTRONS: 506.0000