N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3772 | 0.1260 | 0.4463 | 0.0000 | Co |
2 | 0.3815 | 0.0321 | 0.9533 | 0.0000 | Co |
3 | 0.3566 | 0.2217 | 0.9309 | 0.0000 | Co |
4 | 0.7496 | 0.9313 | 0.7671 | 0.0000 | Co |
5 | 0.5066 | 0.8219 | 0.0864 | 0.0000 | Co |
6 | 0.6801 | 0.1203 | 0.8106 | 0.0000 | P |
7 | 0.4293 | 0.8718 | 0.6250 | 0.0000 | P |
8 | 0.7422 | 0.8582 | 0.0679 | 0.0000 | O |
9 | 0.5076 | 0.1227 | 0.7788 | 0.0000 | O |
10 | 0.7277 | 0.1735 | 0.0213 | 0.0000 | O |
11 | 0.7273 | 0.0399 | 0.8966 | 0.0000 | O |
12 | 0.2557 | 0.8731 | 0.6203 | 0.0000 | O |
13 | 0.4972 | 0.9293 | 0.8110 | 0.0000 | O |
14 | 0.4843 | 0.8905 | 0.3711 | 0.0000 | O |
15 | 0.4815 | 0.7928 | 0.7220 | 0.0000 | O |
16 | 0.4666 | 0.2199 | 0.2531 | 0.0000 | OH |
17 | 0.2615 | 0.7972 | 0.1215 | 0.0000 | OH |
18 | 0.2576 | 0.0412 | 0.6385 | 0.0000 | OH |
19 | 0.5159 | 0.0512 | 0.2675 | 0.0000 | OH |