| x | y | z | Uiso*/Ueq | ||
| Tm1 | 0.30232 (3) | 0.22523 (3) | 0.22714 (3) | 0.01768 (14) | |
| C1 | 0.1831 (5) | 0.4107 (6) | 0.1942 (6) | 0.0111 (18) | |
| C2 | 0.1327 (6) | 0.4765 (6) | 0.1551 (6) | 0.0164 (19) | |
| H2A | 0.1115 | 0.5229 | 0.1900 | 0.020* | |
| C3 | 0.1140 (6) | 0.4732 (6) | 0.0642 (6) | 0.0156 (18) | |
| H3A | 0.0816 | 0.5185 | 0.0376 | 0.019* | |
| C4 | 0.1428 (6) | 0.4034 (6) | 0.0126 (6) | 0.0132 (17) | |
| C5 | 0.1880 (6) | 0.3365 (6) | 0.0577 (7) | 0.0170 (19) | |
| H5A | 0.2041 | 0.2864 | 0.0253 | 0.020* | |
| C6 | 0.2156 (6) | 0.4129 (6) | 0.2916 (5) | 0.0115 (19) | |
| C7 | 0.1298 (6) | 0.3968 (6) | −0.0877 (7) | 0.017 (2) | |
| C8 | 0.1188 (6) | 0.1237 (6) | 0.1724 (6) | 0.0133 (18) | |
| C9 | 0.0969 (5) | 0.1481 (5) | 0.2698 (7) | 0.0091 (15) | |
| C10 | 0.0232 (6) | 0.1189 (6) | 0.3171 (7) | 0.0160 (18) | |
| H10A | −0.0196 | 0.0856 | 0.2876 | 0.019* | |
| C11 | 0.0128 (6) | 0.1380 (6) | 0.4051 (7) | 0.0160 (19) | |
| H11A | −0.0358 | 0.1162 | 0.4364 | 0.019* | |
| C12 | 0.0768 (6) | 0.1922 (6) | 0.4506 (6) | 0.0103 (16) | |
| C13 | 0.1453 (6) | 0.2202 (6) | 0.3982 (6) | 0.0136 (18) | |
| H13A | 0.1868 | 0.2571 | 0.4251 | 0.016* | |
| C14 | 0.0689 (6) | 0.2110 (7) | 0.5496 (6) | 0.016 (2) | |
| N1 | 0.1582 (5) | 0.1994 (5) | 0.3117 (6) | 0.0152 (16) | |
| N2 | 0.2099 (5) | 0.3404 (5) | 0.1464 (5) | 0.0117 (15) | |
| O1 | 0.2739 (4) | 0.3555 (4) | 0.3098 (5) | 0.0170 (14) | |
| H1 | 0.3059 | 0.3647 | 0.3559 | 0.025* | |
| O2 | 0.1850 (6) | 0.4687 (6) | 0.3432 (5) | 0.0315 (18) | |
| O3 | 0.1614 (5) | 0.3285 (4) | −0.1275 (5) | 0.0191 (14) | |
| O4 | 0.0916 (5) | 0.4563 (5) | −0.1268 (5) | 0.0221 (15) | |
| O5 | 0.1938 (4) | 0.1458 (4) | 0.1461 (5) | 0.0177 (14) | |
| O6 | 0.0627 (5) | 0.0860 (5) | 0.1274 (5) | 0.0221 (15) | |
| O7 | 0.0051 (5) | 0.1854 (6) | 0.5920 (5) | 0.0281 (17) | |
| O8 | 0.1335 (4) | 0.2552 (5) | 0.5835 (5) | 0.0215 (15) | |
| O9 | 0.3709 (5) | 0.0809 (4) | 0.2010 (4) | 0.0189 (14) | |
| H91 | 0.3827 | 0.0691 | 0.2556 | 0.028* | |
| H92 | 0.4227 | 0.0840 | 0.1790 | 0.028* | |
| O10 | 0.4516 (4) | 0.2745 (5) | 0.2619 (5) | 0.0217 (15) | |
| H101 | 0.4653 | 0.2877 | 0.2080 | 0.033* | |
| H102 | 0.4887 | 0.2336 | 0.2727 | 0.033* | |
| O11 | 0.2679 (7) | 0.0199 (6) | 0.0226 (6) | 0.042 (2) | |
| H111 | 0.2463 | 0.0571 | 0.0594 | 0.063* | |
| H112 | 0.2823 | 0.0234 | −0.0326 | 0.063* | |
| O12 | 0.1257 (6) | −0.0911 (6) | 0.0638 (6) | 0.041 (2) | |
| H121 | 0.0724 | −0.0900 | 0.0821 | 0.061* | |
| H122 | 0.1146 | −0.0831 | 0.0083 | 0.061* |