---------------- ATOM 1 SHELL: 1 4.74321450000000 6 6.00000000000000 SHELL: 2 6.70791827514472 12 95.0000000000000 SHELL: 3 8.21548850519741 8 6.00000000000000 SHELL: 4 9.48642900000000 6 95.0000000000000 SHELL: 5 10.6061500538627 24 6.00000000000000 SHELL: 6 11.6184552655704 24 95.0000000000000 SHELL: 7 13.4158365502894 12 95.0000000000000 SHELL: 8 14.2296435000000 30 6.00000000000000 SHELL: 9 14.9993612507367 24 95.0000000000000 SHELL: 10 15.7314627966732 24 6.00000000000000 ---------------- ATOM 2 SHELL: 1 4.74321450000000 6 95.0000000000000 SHELL: 2 6.70791827514472 12 6.00000000000000 SHELL: 3 8.21548850519741 8 95.0000000000000 SHELL: 4 9.48642900000000 6 6.00000000000000 SHELL: 5 10.6061500538627 24 95.0000000000000 SHELL: 6 11.6184552655704 24 6.00000000000000 SHELL: 7 13.4158365502894 12 6.00000000000000 SHELL: 8 14.2296435000000 30 95.0000000000000 SHELL: 9 14.9993612507367 24 6.00000000000000 SHELL: 10 15.7314627966732 24 95.0000000000000