---------------- ATOM 1 SHELL: 1 4.51160603897701 4 1001.00000000000 SHELL: 2 5.24380135879616 4 1000.00000000000 SHELL: 3 6.91880900204752 4 1002.00000000000 SHELL: 4 7.41585500000000 4 1000.00000000000 SHELL: 5 8.68040865581562 8 1001.00000000000 SHELL: 6 9.83799056580269 4 1001.00000000000 SHELL: 7 10.1422297049435 8 1002.00000000000 SHELL: 8 10.4876027175923 4 1000.00000000000 SHELL: 9 11.4168471923287 4 1001.00000000000 SHELL: 10 11.6826695000000 2 1000.00000000000 SHELL: 11 11.7254962987740 8 1000.00000000000 SHELL: 12 12.3199417106514 8 1001.00000000000 SHELL: 13 12.5642241610401 4 1002.00000000000 SHELL: 14 12.8055542377807 8 1000.00000000000 SHELL: 15 13.6139379017979 8 1001.00000000000 SHELL: 16 13.8376180040950 8 1000.00000000000 SHELL: 17 14.3797033743702 4 1001.00000000000 SHELL: 18 14.5895385173723 8 1002.00000000000 SHELL: 19 14.7272758180699 4 1001.00000000000 SHELL: 20 14.8317100000000 4 1000.00000000000 SHELL: 21 15.5027162321651 8 1001.00000000000 SHELL: 22 15.6995088269755 8 1000.00000000000 SHELL: 23 15.7314040763885 4 1000.00000000000 ---------------- ATOM 2 SHELL: 1 4.51160603897701 4 1001.00000000000 SHELL: 2 5.24380135879616 4 1000.00000000000 SHELL: 3 6.91880900204752 4 1002.00000000000 SHELL: 4 7.41585500000000 4 1000.00000000000 SHELL: 5 8.68040865581562 8 1001.00000000000 SHELL: 6 9.83799056580269 4 1001.00000000000 SHELL: 7 10.1422297049435 8 1002.00000000000 SHELL: 8 10.4876027175923 4 1000.00000000000 SHELL: 9 11.4168471923287 4 1001.00000000000 SHELL: 10 11.6826695000000 2 1000.00000000000 SHELL: 11 11.7254962987740 8 1000.00000000000 SHELL: 12 12.3199417106514 8 1001.00000000000 SHELL: 13 12.5642241610401 4 1002.00000000000 SHELL: 14 12.8055542377807 8 1000.00000000000 SHELL: 15 13.6139379017979 8 1001.00000000000 SHELL: 16 13.8376180040950 8 1000.00000000000 SHELL: 17 14.3797033743702 4 1001.00000000000 SHELL: 18 14.5895385173723 8 1002.00000000000 SHELL: 19 14.7272758180699 4 1001.00000000000 SHELL: 20 14.8317100000000 4 1000.00000000000 SHELL: 21 15.5027162321651 8 1001.00000000000 SHELL: 22 15.6995088269755 8 1000.00000000000 SHELL: 23 15.7314040763885 4 1000.00000000000 ---------------- ATOM 3 SHELL: 1 4.51160603897701 4 1000.00000000000 SHELL: 2 6.18044160198743 4 1002.00000000000 SHELL: 3 6.54229492000000 1 1001.00000000000 SHELL: 4 7.34308542189335 4 1001.00000000000 SHELL: 5 7.41585500000000 4 1001.00000000000 SHELL: 6 8.41152204000000 1 1002.00000000000 SHELL: 7 8.68040865581562 8 1000.00000000000 SHELL: 8 9.83799056580269 4 1000.00000000000 SHELL: 9 9.88921271898238 4 1001.00000000000 SHELL: 10 10.4876027175923 4 1001.00000000000 SHELL: 11 11.2137686979191 4 1002.00000000000 SHELL: 12 11.4168471923287 4 1000.00000000000 SHELL: 13 12.1732357718738 8 1002.00000000000 SHELL: 14 12.3199417106514 8 1000.00000000000 SHELL: 15 12.3608832039749 4 1001.00000000000 SHELL: 16 12.8027619783886 8 1001.00000000000 SHELL: 17 12.8055542377807 8 1001.00000000000 SHELL: 18 13.4440884328933 4 1002.00000000000 SHELL: 19 13.6139379017979 8 1000.00000000000 SHELL: 20 14.3797033743702 4 1000.00000000000 SHELL: 21 14.7272758180699 4 1000.00000000000 SHELL: 22 14.8317100000000 4 1001.00000000000 SHELL: 23 14.9538169600000 1 1002.00000000000 SHELL: 24 15.5027162321651 8 1000.00000000000 ---------------- ATOM 4 SHELL: 1 4.51160603897701 4 1000.00000000000 SHELL: 2 6.18044160198743 4 1002.00000000000 SHELL: 3 6.54229492000000 1 1001.00000000000 SHELL: 4 7.34308542189335 4 1001.00000000000 SHELL: 5 7.41585500000000 4 1001.00000000000 SHELL: 6 8.41152204000000 1 1002.00000000000 SHELL: 7 8.68040865581562 8 1000.00000000000 SHELL: 8 9.83799056580269 4 1000.00000000000 SHELL: 9 9.88921271898238 4 1001.00000000000 SHELL: 10 10.4876027175923 4 1001.00000000000 SHELL: 11 11.2137686979191 4 1002.00000000000 SHELL: 12 11.4168471923287 4 1000.00000000000 SHELL: 13 12.1732357718738 8 1002.00000000000 SHELL: 14 12.3199417106514 8 1000.00000000000 SHELL: 15 12.3608832039749 4 1001.00000000000 SHELL: 16 12.8027619783886 8 1001.00000000000 SHELL: 17 12.8055542377807 8 1001.00000000000 SHELL: 18 13.4440884328933 4 1002.00000000000 SHELL: 19 13.6139379017979 8 1000.00000000000 SHELL: 20 14.3797033743702 4 1000.00000000000 SHELL: 21 14.7272758180699 4 1000.00000000000 SHELL: 22 14.8317100000000 4 1001.00000000000 SHELL: 23 14.9538169600000 1 1002.00000000000 SHELL: 24 15.5027162321651 8 1000.00000000000 ---------------- ATOM 5 SHELL: 1 6.18044160198743 8 1001.00000000000 SHELL: 2 6.91880900204752 8 1000.00000000000 SHELL: 3 7.41585500000000 4 1002.00000000000 SHELL: 4 8.41152204000000 2 1001.00000000000 SHELL: 5 10.1422297049435 16 1000.00000000000 SHELL: 6 10.4876027175923 4 1002.00000000000 SHELL: 7 11.2137686979191 8 1001.00000000000 SHELL: 8 12.1732357718738 16 1001.00000000000 SHELL: 9 12.5642241610401 8 1000.00000000000 SHELL: 10 12.8055542377807 8 1002.00000000000 SHELL: 11 13.4440884328933 8 1001.00000000000 SHELL: 12 14.5895385173723 16 1000.00000000000 SHELL: 13 14.8317100000000 4 1002.00000000000 SHELL: 14 14.9538169600000 2 1001.00000000000