---------------- ATOM 1 SHELL: 1 4.71959300000000 6 7.00000000000000 SHELL: 2 6.67451242948112 12 95.0000000000000 SHELL: 3 8.17457486704642 8 7.00000000000000 SHELL: 4 9.43918600000000 6 95.0000000000000 SHELL: 5 10.5533307741322 24 7.00000000000000 SHELL: 6 11.5605946436113 24 95.0000000000000 SHELL: 7 13.3490248589622 12 95.0000000000000 SHELL: 8 14.1587790000000 30 7.00000000000000 SHELL: 9 14.9246635089871 24 95.0000000000000 SHELL: 10 15.6531191441878 24 7.00000000000000 ---------------- ATOM 2 SHELL: 1 4.71959300000000 6 95.0000000000000 SHELL: 2 6.67451242948112 12 7.00000000000000 SHELL: 3 8.17457486704642 8 95.0000000000000 SHELL: 4 9.43918600000000 6 7.00000000000000 SHELL: 5 10.5533307741322 24 95.0000000000000 SHELL: 6 11.5605946436113 24 7.00000000000000 SHELL: 7 13.3490248589622 12 7.00000000000000 SHELL: 8 14.1587790000000 30 95.0000000000000 SHELL: 9 14.9246635089871 24 7.00000000000000 SHELL: 10 15.6531191441878 24 95.0000000000000