| x | y | z | Uiso*/Ueq | ||
| C1 | 0.34900 (15) | 1.2727 (3) | 0.69677 (11) | 0.0644 (5) | |
| H1A | 0.3731 | 1.1717 | 0.6529 | 0.097* | |
| H1B | 0.4106 | 1.3657 | 0.7303 | 0.097* | |
| H1C | 0.2924 | 1.3843 | 0.6667 | 0.097* | |
| N1 | 0.45207 (12) | 0.7505 (3) | 1.07568 (10) | 0.0728 (4) | |
| O1 | 0.30584 (9) | 1.11902 (19) | 0.75662 (6) | 0.0581 (3) | |
| C2 | 0.22452 (11) | 0.9545 (3) | 0.72065 (9) | 0.0461 (3) | |
| N2 | 0.22425 (13) | 1.2438 (2) | 0.95010 (9) | 0.0660 (4) | |
| C3 | 0.17425 (13) | 0.9391 (3) | 0.63011 (10) | 0.0585 (4) | |
| H3 | 0.1945 | 1.0466 | 0.5889 | 0.070* | |
| C4 | 0.09351 (14) | 0.7621 (3) | 0.60142 (11) | 0.0642 (5) | |
| H4 | 0.0591 | 0.7523 | 0.5406 | 0.077* | |
| C5 | 0.06344 (13) | 0.6016 (3) | 0.66096 (11) | 0.0605 (4) | |
| H5 | 0.0102 | 0.4810 | 0.6406 | 0.073* | |
| C6 | 0.11252 (11) | 0.6197 (3) | 0.75120 (10) | 0.0500 (4) | |
| H6 | 0.0913 | 0.5117 | 0.7919 | 0.060* | |
| C7 | 0.19287 (11) | 0.7958 (2) | 0.78245 (8) | 0.0409 (3) | |
| C8 | 0.24600 (11) | 0.8102 (2) | 0.88203 (9) | 0.0422 (3) | |
| H8 | 0.2064 | 0.6939 | 0.9129 | 0.051* | |
| C9 | 0.36818 (12) | 0.7315 (3) | 0.90375 (10) | 0.0518 (4) | |
| H9A | 0.3741 | 0.5645 | 0.8819 | 0.062* | |
| H9B | 0.4096 | 0.8402 | 0.8727 | 0.062* | |
| C10 | 0.41624 (12) | 0.7404 (3) | 1.00039 (11) | 0.0547 (4) | |
| C11 | 0.23445 (11) | 1.0568 (3) | 0.91933 (9) | 0.0457 (3) |