# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.654987 1.665651 0.000000 11.030734 1.302918 35.096386 2 2.884993 1.665651 0.000000 11.030734 1.302920 35.096386 3 5.769994 1.665651 0.000000 11.030734 1.302916 35.096386 4 10.097488 4.164136 0.000000 11.030734 1.302915 35.096386 5 4.327494 4.164136 0.000000 11.030734 1.302916 35.096386 6 7.212495 4.164136 0.000000 11.030734 1.302913 35.096386 7 11.539985 6.662613 0.000000 11.030734 1.302916 35.096386 8 5.769990 6.662613 0.000000 11.030734 1.302918 35.096386 9 8.654992 6.662613 0.000000 11.030734 1.302915 35.096386 10 0.000000 0.000000 2.355585 10.964054 1.275719 17.154045 11 2.884993 0.000000 2.355585 10.964054 1.275717 17.154045 12 5.769994 0.000000 2.355585 10.964054 1.275720 17.154045 13 10.097484 2.498477 2.355585 10.964054 1.275717 17.154045 14 4.327489 2.498477 2.355585 10.964054 1.275716 17.154045 15 7.212491 2.498477 2.355585 10.964054 1.275719 17.154045 16 11.539984 4.996962 2.355585 10.964054 1.275720 17.154045 17 5.769990 4.996962 2.355585 10.964054 1.275719 17.154045 18 8.654992 4.996962 2.355585 10.964054 1.275721 17.154045 19 1.442496 0.832826 4.779334 11.006704 1.297422 17.471114 20 4.327489 0.832826 4.779334 11.006704 1.297424 17.471114 21 7.212491 0.832826 4.779334 11.006704 1.297421 17.471114 22 2.884993 3.331303 4.779334 11.006704 1.297424 17.471114 23 5.769986 3.331303 4.779334 11.006704 1.297425 17.471114 24 8.654987 3.331303 4.779334 11.006704 1.297422 17.471114 25 4.327494 5.829788 4.779334 11.006704 1.297421 17.471114 26 7.212487 5.829788 4.779334 11.006704 1.297422 17.471114 27 10.097488 5.829788 4.779334 11.006704 1.297419 17.471114 28 8.654987 1.665651 7.207539 11.138275 1.298925 17.993504 29 2.884993 1.665651 7.207539 11.138275 1.298927 17.993504 30 5.769994 1.665651 7.207539 11.138275 1.298924 17.993504 31 10.097488 4.164136 7.207539 11.138275 1.298922 17.993504 32 4.327494 4.164136 7.207539 11.138275 1.298924 17.993504 33 7.212495 4.164136 7.207539 11.138275 1.298921 17.993504 34 11.539985 6.662613 7.207539 11.138275 1.298924 17.993504 35 5.769990 6.662613 7.207539 11.138275 1.298925 17.993504 36 8.654992 6.662613 7.207539 11.138275 1.298922 17.993504 37 0.000000 0.000000 9.283288 10.859703 1.044795 32.698509 38 2.884993 0.000000 9.283288 10.859703 1.044793 32.698509 39 5.769994 0.000000 9.283288 10.859703 1.044796 32.698509 40 10.097484 2.498477 9.283288 10.859703 1.044793 32.698509 41 4.327489 2.498477 9.283288 10.859703 1.044792 32.698509 42 7.212491 2.498477 9.283288 10.859703 1.044795 32.698509 43 11.539984 4.996962 9.283288 10.859703 1.044796 32.698509 44 5.769990 4.996962 9.283288 10.859703 1.044795 32.698509 45 8.654992 4.996962 9.283288 10.859703 1.044798 32.698509 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0047 VACUUM VOLUME: 305.9858 NUMBER OF ELECTRONS: 495.0000