| x | y | z | Uiso*/Ueq | ||
| N1 | 0.86142 (15) | 0.8016 (3) | 0.90992 (6) | 0.0173 (3) | |
| H1A | 0.8733 | 0.8741 | 0.8736 | 0.021* | |
| H1B | 0.9191 | 0.8645 | 0.9425 | 0.021* | |
| C2 | 0.75718 (17) | 0.5988 (3) | 0.91547 (6) | 0.0137 (3) | |
| N3 | 0.66953 (15) | 0.5047 (3) | 0.86483 (5) | 0.0149 (3) | |
| H3 | 0.6834 | 0.583 | 0.8293 | 0.018* | |
| C4 | 0.56229 (17) | 0.2967 (3) | 0.86666 (7) | 0.0165 (3) | |
| H4 | 0.5045 | 0.2339 | 0.83 | 0.02* | |
| C5 | 0.53675 (17) | 0.1756 (3) | 0.92166 (7) | 0.0171 (3) | |
| H5 | 0.4608 | 0.0288 | 0.923 | 0.02* | |
| N6 | 0.61838 (15) | 0.2626 (3) | 0.97404 (6) | 0.0166 (3) | |
| C7 | 0.72487 (17) | 0.4646 (3) | 0.97204 (6) | 0.0142 (3) | |
| C8 | 0.81279 (17) | 0.5559 (3) | 1.03115 (7) | 0.0155 (3) | |
| O9 | 0.91059 (13) | 0.7446 (2) | 1.03400 (5) | 0.0214 (3) | |
| O10 | 0.77252 (13) | 0.4096 (3) | 1.07821 (5) | 0.0212 (3) | |
| H10 | 0.8219 | 0.4712 | 1.1104 | 0.032* | |
| P1 | 0.79097 (4) | 0.97152 (8) | 0.740127 (16) | 0.01125 (11) | |
| O11 | 0.70388 (12) | 0.7004 (2) | 0.75265 (5) | 0.0161 (2) | |
| O12 | 0.66950 (12) | 1.1937 (2) | 0.71167 (5) | 0.0162 (2) | |
| H12 | 0.696 | 1.3588 | 0.7238 | 0.024* | |
| O13 | 0.89962 (12) | 0.9251 (2) | 0.68787 (5) | 0.0183 (2) | |
| H13 | 0.9697 | 0.8065 | 0.6994 | 0.027* | |
| O14 | 0.88101 (12) | 1.0854 (2) | 0.79764 (5) | 0.0158 (2) |