N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.6472 | 0.2500 | 0.0000 | Ca |
2 | 0.5000 | 0.3055 | 0.2500 | 0.0000 | C |
3 | 0.5000 | 0.1515 | 0.2500 | 0.0000 | O |
4 | 0.5262 | 0.3852 | 0.1588 | 0.0000 | O |
5 | 0.6146 | 0.7222 | 0.0913 | 0.0000 | O |
6 | 0.7872 | 0.5581 | 0.3829 | 0.0000 | O |
7 | 0.6707 | 0.8849 | 0.3589 | 0.0000 | O |
8 | 0.5795 | 0.6897 | 0.0158 | 0.0000 | H |
9 | 0.6374 | 0.8063 | 0.0905 | 0.0000 | H |
10 | 0.8530 | 0.5959 | 0.3574 | 0.0000 | H |
11 | 0.8105 | 0.5848 | 0.4580 | 0.0000 | H |
12 | 0.7628 | 0.8838 | 0.3567 | 0.0000 | H |
13 | 0.6324 | 0.9668 | 0.3422 | 0.0000 | H |