---------------- ATOM 1 SHELL: 1 4.52170146114694 4 1001.00000000000 SHELL: 2 5.13115642012602 4 1000.00000000000 SHELL: 3 7.25655100000000 4 1000.00000000000 SHELL: 4 7.48181647740245 4 1002.00000000000 SHELL: 5 8.55004774953563 8 1001.00000000000 SHELL: 6 10.2623128402520 4 1000.00000000000 SHELL: 7 10.4228168081921 8 1002.00000000000 SHELL: 8 11.0033593470835 4 1001.00000000000 SHELL: 9 11.2143144656702 4 1001.00000000000 SHELL: 10 11.4736145585863 8 1000.00000000000 SHELL: 11 12.7001040402326 4 1002.00000000000 SHELL: 12 13.0863585000000 2 1000.00000000000 SHELL: 13 13.1807226409120 8 1001.00000000000 SHELL: 14 13.3573343654541 8 1001.00000000000 SHELL: 15 14.0563702639879 8 1000.00000000000 SHELL: 16 14.5131020000000 4 1000.00000000000 SHELL: 17 14.6270357574026 8 1002.00000000000 SHELL: 18 14.9636329548049 8 1000.00000000000 SHELL: 19 15.0462281569917 4 1001.00000000000 SHELL: 20 15.2011813279805 8 1001.00000000000 SHELL: 21 15.3934692603781 4 1000.00000000000 ---------------- ATOM 2 SHELL: 1 4.52170146114694 4 1001.00000000000 SHELL: 2 5.13115642012602 4 1000.00000000000 SHELL: 3 7.25655100000000 4 1000.00000000000 SHELL: 4 7.48181647740245 4 1002.00000000000 SHELL: 5 8.55004774953563 8 1001.00000000000 SHELL: 6 10.2623128402520 4 1000.00000000000 SHELL: 7 10.4228168081921 8 1002.00000000000 SHELL: 8 11.0033593470835 4 1001.00000000000 SHELL: 9 11.2143144656702 4 1001.00000000000 SHELL: 10 11.4736145585863 8 1000.00000000000 SHELL: 11 12.7001040402326 4 1002.00000000000 SHELL: 12 13.0863585000000 2 1000.00000000000 SHELL: 13 13.1807226409120 8 1001.00000000000 SHELL: 14 13.3573343654541 8 1001.00000000000 SHELL: 15 14.0563702639879 8 1000.00000000000 SHELL: 16 14.5131020000000 4 1000.00000000000 SHELL: 17 14.6270357574026 8 1002.00000000000 SHELL: 18 14.9636329548049 8 1000.00000000000 SHELL: 19 15.0462281569917 4 1001.00000000000 SHELL: 20 15.2011813279805 8 1001.00000000000 SHELL: 21 15.3934692603781 4 1000.00000000000 ---------------- ATOM 3 SHELL: 1 4.52170146114694 4 1000.00000000000 SHELL: 2 6.41178905756135 4 1002.00000000000 SHELL: 3 7.25655100000000 4 1001.00000000000 SHELL: 4 7.44676911198090 4 1001.00000000000 SHELL: 5 7.68954425460000 1 1001.00000000000 SHELL: 6 8.55004774953563 8 1000.00000000000 SHELL: 7 9.24158637270000 1 1002.00000000000 SHELL: 8 10.2623128402520 4 1001.00000000000 SHELL: 9 10.5729193347463 4 1001.00000000000 SHELL: 10 11.0033593470835 4 1000.00000000000 SHELL: 11 11.2143144656702 4 1000.00000000000 SHELL: 12 11.7500830252248 4 1002.00000000000 SHELL: 13 12.1006654259121 8 1002.00000000000 SHELL: 14 12.6794887530355 8 1001.00000000000 SHELL: 15 12.8235781151227 4 1001.00000000000 SHELL: 16 13.1807226409120 8 1000.00000000000 SHELL: 17 13.3573343654541 8 1000.00000000000 SHELL: 18 13.8102130148407 4 1002.00000000000 SHELL: 19 14.0563702639879 8 1001.00000000000 SHELL: 20 14.5131020000000 4 1001.00000000000 SHELL: 21 15.0462281569917 4 1000.00000000000 SHELL: 22 15.2011813279805 8 1000.00000000000 SHELL: 23 15.8663533485507 4 1002.00000000000 ---------------- ATOM 4 SHELL: 1 4.52170146114694 4 1000.00000000000 SHELL: 2 6.41178905756135 4 1002.00000000000 SHELL: 3 7.25655100000000 4 1001.00000000000 SHELL: 4 7.44676911198090 4 1001.00000000000 SHELL: 5 7.68954425460000 1 1001.00000000000 SHELL: 6 8.55004774953563 8 1000.00000000000 SHELL: 7 9.24158637270000 1 1002.00000000000 SHELL: 8 10.2623128402520 4 1001.00000000000 SHELL: 9 10.5729193347463 4 1001.00000000000 SHELL: 10 11.0033593470835 4 1000.00000000000 SHELL: 11 11.2143144656702 4 1000.00000000000 SHELL: 12 11.7500830252248 4 1002.00000000000 SHELL: 13 12.1006654259121 8 1002.00000000000 SHELL: 14 12.6794887530355 8 1001.00000000000 SHELL: 15 12.8235781151227 4 1001.00000000000 SHELL: 16 13.1807226409120 8 1000.00000000000 SHELL: 17 13.3573343654541 8 1000.00000000000 SHELL: 18 13.8102130148407 4 1002.00000000000 SHELL: 19 14.0563702639879 8 1001.00000000000 SHELL: 20 14.5131020000000 4 1001.00000000000 SHELL: 21 15.0462281569917 4 1000.00000000000 SHELL: 22 15.2011813279805 8 1000.00000000000 SHELL: 23 15.8663533485507 4 1002.00000000000 ---------------- ATOM 5 SHELL: 1 6.41178905756135 8 1001.00000000000 SHELL: 2 7.25655100000000 4 1002.00000000000 SHELL: 3 7.48181647740245 8 1000.00000000000 SHELL: 4 9.24158637270000 2 1001.00000000000 SHELL: 5 10.2623128402520 4 1002.00000000000 SHELL: 6 10.4228168081921 16 1000.00000000000 SHELL: 7 11.7500830252248 8 1001.00000000000 SHELL: 8 12.1006654259121 16 1001.00000000000 SHELL: 9 12.7001040402326 8 1000.00000000000 SHELL: 10 13.8102130148407 8 1001.00000000000 SHELL: 11 14.0563702639879 8 1002.00000000000 SHELL: 12 14.5131020000000 4 1002.00000000000 SHELL: 13 14.6270357574026 16 1000.00000000000 SHELL: 14 15.8663533485507 8 1001.00000000000