# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.654987 1.665651 0.000000 11.030617 1.302918 35.096386 2 2.884993 1.665651 0.000000 11.030617 1.302920 35.096386 3 5.769994 1.665651 0.000000 11.030617 1.302916 35.096386 4 10.097488 4.164136 0.000000 11.030617 1.302915 35.096386 5 4.327494 4.164136 0.000000 11.030617 1.302916 35.096386 6 7.212495 4.164136 0.000000 11.030617 1.302913 35.096386 7 11.539985 6.662613 0.000000 11.030617 1.302916 35.096386 8 5.769990 6.662613 0.000000 11.030617 1.302918 35.096386 9 8.654992 6.662613 0.000000 11.030617 1.302915 35.096386 10 0.000000 0.000000 2.355585 10.965567 1.275719 17.163469 11 2.884993 0.000000 2.355585 10.965567 1.275717 17.163469 12 5.769994 0.000000 2.355585 10.965567 1.275720 17.163469 13 10.097484 2.498477 2.355585 10.965567 1.275717 17.163469 14 4.327489 2.498477 2.355585 10.965567 1.275716 17.163469 15 7.212491 2.498477 2.355585 10.965567 1.275719 17.163469 16 11.539984 4.996962 2.355585 10.965567 1.275720 17.163469 17 5.769990 4.996962 2.355585 10.965567 1.275719 17.163469 18 8.654992 4.996962 2.355585 10.965567 1.275721 17.163469 19 1.442496 0.832826 4.779334 11.014975 1.307523 17.508812 20 4.327489 0.832826 4.779334 11.014975 1.307521 17.508812 21 7.212491 0.832826 4.779334 11.014975 1.307523 17.508812 22 2.884993 3.331303 4.779334 11.014975 1.307521 17.508812 23 5.769986 3.331303 4.779334 11.014975 1.307519 17.508812 24 8.654987 3.331303 4.779334 11.014975 1.307522 17.508812 25 4.327494 5.829788 4.779334 11.014975 1.307524 17.508812 26 7.212487 5.829788 4.779334 11.014975 1.307522 17.508812 27 10.097488 5.829788 4.779334 11.014975 1.307522 17.508812 28 8.654987 1.665651 7.207539 11.128467 1.298925 17.947054 29 2.884993 1.665651 7.207539 11.128467 1.298927 17.947054 30 5.769994 1.665651 7.207539 11.128467 1.298924 17.947054 31 10.097488 4.164136 7.207539 11.128467 1.298922 17.947054 32 4.327494 4.164136 7.207539 11.128467 1.298924 17.947054 33 7.212495 4.164136 7.207539 11.128467 1.298921 17.947054 34 11.539985 6.662613 7.207539 11.128467 1.298924 17.947054 35 5.769990 6.662613 7.207539 11.128467 1.298925 17.947054 36 8.654992 6.662613 7.207539 11.128467 1.298922 17.947054 37 0.000000 0.000000 9.283288 10.859824 1.044795 32.920659 38 2.884993 0.000000 9.283288 10.859824 1.044793 32.920659 39 5.769994 0.000000 9.283288 10.859824 1.044796 32.920659 40 10.097484 2.498477 9.283288 10.859824 1.044793 32.920659 41 4.327489 2.498477 9.283288 10.859824 1.044792 32.920659 42 7.212491 2.498477 9.283288 10.859824 1.044795 32.920659 43 11.539984 4.996962 9.283288 10.859824 1.044796 32.920659 44 5.769990 4.996962 9.283288 10.859824 1.044795 32.920659 45 8.654992 4.996962 9.283288 10.859824 1.044798 32.920659 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0049 VACUUM VOLUME: 303.9804 NUMBER OF ELECTRONS: 495.0000