# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.654987 1.665651 0.000000 11.040456 1.302918 35.138124 2 2.884993 1.665651 0.000000 10.998572 1.302920 34.893758 3 5.769994 1.665651 0.000000 11.026795 1.302916 35.177168 4 10.097488 4.164136 0.000000 11.054919 1.302915 35.074845 5 4.327494 4.164136 0.000000 10.984061 1.302916 34.780664 6 7.212495 4.164136 0.000000 11.023713 1.302913 34.988677 7 11.539985 6.662613 0.000000 11.050139 1.302916 35.176495 8 5.769990 6.662613 0.000000 11.036891 1.302918 35.226984 9 8.654992 6.662613 0.000000 11.052138 1.302915 35.424226 10 0.000000 0.000000 2.355585 10.994758 1.275719 17.330419 11 2.884993 0.000000 2.355585 10.964879 1.275717 17.160776 12 5.769994 0.000000 2.355585 10.976356 1.275720 17.247617 13 10.097484 2.498477 2.355585 10.956888 1.275717 17.148659 14 4.327489 2.498477 2.355585 10.979665 1.275716 17.277237 15 7.212491 2.498477 2.355585 10.965823 1.275719 17.210592 16 11.539984 4.996962 2.355585 10.929054 1.275720 17.024794 17 5.769990 4.996962 2.355585 10.955428 1.275719 17.165489 18 8.654992 4.996962 2.355585 10.974267 1.275721 17.222036 19 1.441086 0.827054 4.773764 11.041893 1.310928 17.707401 20 4.335729 0.835359 4.775649 11.031871 1.313743 17.644795 21 7.211296 0.833950 4.795893 11.003149 1.306385 17.570745 22 2.894691 3.341774 4.790195 11.014123 1.317078 17.632004 23 5.776122 3.329249 4.811124 11.006938 1.306460 17.704035 24 8.653633 3.333709 4.787946 11.004516 1.306138 17.566033 25 4.328874 5.827052 4.798892 11.000106 1.305910 17.598345 26 7.213322 5.824968 4.785696 11.029844 1.306925 17.700669 27 10.098553 5.828139 4.786060 10.998160 1.308389 17.464382 28 8.632220 1.677532 7.194857 11.101231 1.269637 17.465728 29 2.875334 1.667046 7.189309 11.115373 1.298661 17.547183 30 5.743709 1.690072 7.274868 11.131300 1.280750 18.050724 31 10.124301 4.152218 7.224334 11.117865 1.306078 17.720865 32 4.360885 4.169998 7.304045 11.116339 1.320246 18.309226 33 7.231930 4.175402 7.290506 11.136963 1.322296 18.140931 34 11.557165 6.649196 7.229754 11.128832 1.277351 17.780778 35 5.774660 6.676008 7.243742 11.143387 1.300566 17.838672 36 8.672064 6.671660 7.187831 11.112023 1.302623 17.574111 37 8.581216 0.094345 9.313879 10.850049 1.047594 29.087557 38 2.974537 0.004093 9.289436 10.848905 1.050201 26.010438 39 10.125634 7.461545 9.318034 10.857938 1.062378 28.862040 40 10.015547 2.463144 9.298283 10.834766 1.036396 26.991265 41 4.102693 2.378340 9.376881 10.749144 0.857170 15.561967 42 7.237534 2.419063 9.346526 10.803199 1.046310 25.945812 43 11.490305 5.014741 9.356144 10.793930 1.058410 23.984831 44 5.927507 5.212643 9.367434 10.710945 0.808737 15.574085 45 8.793060 5.105009 9.309423 10.842919 1.063522 27.759367 46 5.466256 4.374908 10.981517 3.641086 0.322215 11.541046 47 4.439286 3.251514 11.060157 3.353701 0.278582 10.274116 48 5.892779 4.748638 12.183934 7.080780 0.643943 43.787850 49 5.385272 4.207939 12.853286 0.383265 0.046027 9.472355 50 4.010531 2.943054 12.179114 7.045743 0.672906 48.878458 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0049 VACUUM VOLUME: 256.2915 NUMBER OF ELECTRONS: 516.0000