| x | y | z | Uiso*/Ueq | ||
| O1 | 0.3153 (3) | 0.69488 (10) | 0.54542 (9) | 0.0262 (4) | |
| N1 | 0.5641 (4) | 0.50248 (12) | 0.70174 (11) | 0.0233 (5) | |
| N2 | 0.7432 (4) | 0.49329 (13) | 0.65250 (12) | 0.0294 (5) | |
| N3 | 0.6509 (4) | 0.52816 (13) | 0.59396 (11) | 0.0279 (5) | |
| N4 | 0.7655 (4) | 1.01212 (13) | 0.44279 (12) | 0.0312 (5) | |
| N5 | 1.2066 (4) | 0.86108 (14) | 0.33358 (13) | 0.0342 (6) | |
| C1 | 0.3561 (4) | 0.54262 (15) | 0.67500 (14) | 0.0251 (6) | |
| H1 | 0.2032 | 0.5564 | 0.6987 | 0.030* | |
| C2 | 0.4125 (4) | 0.55919 (14) | 0.60643 (13) | 0.0216 (5) | |
| C3 | 0.6072 (5) | 0.46954 (16) | 0.77327 (14) | 0.0282 (6) | |
| H3A | 0.5691 | 0.5162 | 0.8073 | 0.034* | |
| H3B | 0.7892 | 0.4537 | 0.7794 | 0.034* | |
| C4 | 0.4444 (4) | 0.39128 (15) | 0.78895 (13) | 0.0234 (5) | |
| C5 | 0.4866 (4) | 0.31288 (15) | 0.75402 (14) | 0.0294 (6) | |
| H5 | 0.6186 | 0.3087 | 0.7206 | 0.035* | |
| C6 | 0.3363 (5) | 0.24131 (16) | 0.76800 (15) | 0.0330 (7) | |
| H6 | 0.3662 | 0.1880 | 0.7444 | 0.040* | |
| C7 | 0.1427 (5) | 0.24702 (17) | 0.81622 (15) | 0.0329 (7) | |
| H7 | 0.0388 | 0.1979 | 0.8254 | 0.040* | |
| C8 | 0.1008 (5) | 0.32439 (16) | 0.85111 (14) | 0.0312 (6) | |
| H8 | −0.0313 | 0.3282 | 0.8845 | 0.037* | |
| C9 | 0.2511 (4) | 0.39631 (16) | 0.83744 (14) | 0.0273 (6) | |
| H9 | 0.2213 | 0.4494 | 0.8615 | 0.033* | |
| C10 | 0.2539 (4) | 0.60336 (14) | 0.55118 (13) | 0.0240 (6) | |
| H10A | 0.2818 | 0.5747 | 0.5054 | 0.029* | |
| H10B | 0.0714 | 0.5970 | 0.5626 | 0.029* | |
| C11 | 0.5055 (4) | 0.72062 (15) | 0.50218 (13) | 0.0224 (5) | |
| C12 | 0.5349 (4) | 0.81069 (15) | 0.49807 (13) | 0.0227 (5) | |
| H12 | 0.4294 | 0.8480 | 0.5248 | 0.027* | |
| C13 | 0.7180 (4) | 0.84514 (14) | 0.45502 (13) | 0.0224 (5) | |
| C14 | 0.8748 (4) | 0.79094 (15) | 0.41502 (13) | 0.0227 (5) | |
| C15 | 0.8425 (4) | 0.70107 (15) | 0.41989 (13) | 0.0254 (6) | |
| H15 | 0.9464 | 0.6635 | 0.3929 | 0.031* | |
| C16 | 0.6609 (4) | 0.66612 (15) | 0.46354 (13) | 0.0236 (5) | |
| H16 | 0.6425 | 0.6049 | 0.4671 | 0.028* | |
| C17 | 0.7433 (4) | 0.93813 (16) | 0.44910 (13) | 0.0240 (6) | |
| C18 | 1.0608 (4) | 0.82840 (15) | 0.36943 (14) | 0.0256 (6) |