| x | y | z | Uiso*/Ueq | ||
| O1 | 0.16030 (11) | 0.52261 (8) | 0.61658 (5) | 0.0221 (3) | |
| O2 | 0.53747 (10) | 0.73649 (7) | 0.57927 (4) | 0.0173 (2) | |
| O3 | 0.62739 (12) | 0.58152 (8) | 0.55786 (5) | 0.0239 (3) | |
| O4 | 0.08299 (11) | 0.93078 (8) | 0.77211 (5) | 0.0222 (3) | |
| N1 | 0.43426 (13) | 0.59636 (9) | 0.61318 (5) | 0.0164 (3) | |
| N2 | 0.28810 (12) | 0.88225 (9) | 0.73211 (5) | 0.0146 (3) | |
| C1 | 0.40682 (16) | 0.48702 (11) | 0.61007 (7) | 0.0201 (3) | |
| H1A | 0.4110 | 0.4569 | 0.6493 | 0.024* | |
| H1B | 0.4775 | 0.4534 | 0.5857 | 0.024* | |
| C2 | 0.26528 (17) | 0.47066 (11) | 0.58444 (7) | 0.0212 (3) | |
| H2A | 0.2647 | 0.4954 | 0.5440 | 0.025* | |
| H2B | 0.2445 | 0.3969 | 0.5839 | 0.025* | |
| C3 | 0.19649 (15) | 0.61199 (11) | 0.64273 (6) | 0.0162 (3) | |
| C4 | 0.09200 (15) | 0.66258 (11) | 0.67188 (6) | 0.0178 (3) | |
| H4 | 0.0014 | 0.6348 | 0.6718 | 0.021* | |
| C5 | 0.11645 (15) | 0.75263 (11) | 0.70112 (6) | 0.0166 (3) | |
| H5 | 0.0431 | 0.7872 | 0.7200 | 0.020* | |
| C6 | 0.25037 (15) | 0.79196 (10) | 0.70245 (6) | 0.0140 (3) | |
| C7 | 0.35627 (14) | 0.74149 (10) | 0.67329 (6) | 0.0145 (3) | |
| H7 | 0.4475 | 0.7681 | 0.6745 | 0.017* | |
| C8 | 0.33000 (15) | 0.65256 (11) | 0.64237 (6) | 0.0145 (3) | |
| C9 | 0.54187 (15) | 0.63514 (11) | 0.58119 (6) | 0.0159 (3) | |
| C10 | 0.65864 (16) | 0.79588 (12) | 0.56032 (7) | 0.0200 (3) | |
| C11 | 0.60965 (17) | 0.90434 (11) | 0.56794 (7) | 0.0237 (3) | |
| H11A | 0.5321 | 0.9174 | 0.5417 | 0.028* | |
| H11B | 0.6855 | 0.9512 | 0.5591 | 0.028* | |
| H11C | 0.5796 | 0.9146 | 0.6080 | 0.028* | |
| C12 | 0.6938 (3) | 0.77433 (14) | 0.49806 (9) | 0.0433 (5) | |
| H12A | 0.7274 | 0.7043 | 0.4944 | 0.052* | |
| H12B | 0.7658 | 0.8216 | 0.4851 | 0.052* | |
| H12C | 0.6111 | 0.7831 | 0.4741 | 0.052* | |
| C13 | 0.7775 (2) | 0.77283 (15) | 0.60145 (11) | 0.0425 (5) | |
| H13A | 0.7467 | 0.7825 | 0.6414 | 0.051* | |
| H13B | 0.8548 | 0.8189 | 0.5933 | 0.051* | |
| H13C | 0.8077 | 0.7022 | 0.5961 | 0.051* | |
| C14 | 0.20747 (14) | 0.94428 (11) | 0.76449 (6) | 0.0155 (3) | |
| C15 | 0.28116 (15) | 1.03281 (11) | 0.79194 (6) | 0.0188 (3) | |
| H15A | 0.2406 | 1.0966 | 0.7780 | 0.023* | |
| H15B | 0.3793 | 1.0306 | 0.7816 | 0.023* | |
| H15C | 0.2715 | 1.0289 | 0.8341 | 0.023* | |
| H2N | 0.375 (2) | 0.9008 (13) | 0.7287 (8) | 0.022 (5)* |