| x | y | z | Uiso*/Ueq | ||
| N1 | 0.72741 (16) | 0.34999 (14) | 0.68693 (8) | 0.0383 (3) | |
| N2 | 0.66107 (16) | 0.19639 (15) | 0.71630 (8) | 0.0393 (3) | |
| H2N | 0.669 (2) | 0.164 (2) | 0.7817 (14) | 0.052 (5)* | |
| N3 | 0.61324 (14) | 0.20352 (14) | 0.55193 (8) | 0.0345 (3) | |
| N4 | 0.51489 (16) | −0.04181 (15) | 0.64256 (9) | 0.0398 (3) | |
| H4A | 0.488 (2) | −0.095 (2) | 0.5842 (13) | 0.049 (4)* | |
| H4B | 0.564 (2) | −0.106 (2) | 0.6948 (13) | 0.050 (4)* | |
| N5 | 0.80901 (15) | 0.62905 (15) | 0.56803 (8) | 0.0388 (3) | |
| C1 | 0.69411 (16) | 0.34759 (16) | 0.58805 (9) | 0.0331 (3) | |
| C2 | 0.59494 (16) | 0.11150 (17) | 0.63532 (9) | 0.0343 (3) | |
| C3 | 0.74353 (16) | 0.48955 (17) | 0.52229 (9) | 0.0343 (3) | |
| C4 | 0.72299 (19) | 0.47748 (19) | 0.41755 (10) | 0.0425 (3) | |
| H4 | 0.6758 | 0.3786 | 0.3873 | 0.051* | |
| C5 | 0.77288 (19) | 0.6128 (2) | 0.35870 (11) | 0.0491 (4) | |
| H5 | 0.7598 | 0.6076 | 0.2878 | 0.059* | |
| C6 | 0.8419 (2) | 0.7554 (2) | 0.40516 (12) | 0.0486 (4) | |
| H6 | 0.8781 | 0.8489 | 0.3668 | 0.058* | |
| C7 | 0.85663 (19) | 0.75796 (19) | 0.50930 (12) | 0.0455 (4) | |
| H7 | 0.9029 | 0.8561 | 0.5408 | 0.055* |