| x | y | z | Uiso*/Ueq | ||
| P1 | 0.18196 (9) | 0.21056 (9) | 0.45935 (4) | 0.02233 (18) | |
| O1 | 0.3253 (2) | 0.3074 (2) | 0.53572 (11) | 0.0272 (4) | |
| C111 | 0.2511 (3) | 0.0876 (3) | 0.37091 (16) | 0.0217 (6) | |
| N112 | 0.1239 (3) | −0.0366 (3) | 0.30732 (14) | 0.0267 (5) | |
| C113 | 0.1759 (4) | −0.1218 (4) | 0.24034 (17) | 0.0320 (7) | |
| H113 | 0.0879 | −0.2109 | 0.195 | 0.038* | |
| C114 | 0.3487 (4) | −0.0891 (4) | 0.23254 (18) | 0.0320 (7) | |
| H114 | 0.3782 | −0.1528 | 0.1831 | 0.038* | |
| C115 | 0.4767 (4) | 0.0385 (4) | 0.29857 (19) | 0.0372 (8) | |
| H115 | 0.5969 | 0.0641 | 0.2957 | 0.045* | |
| C116 | 0.4284 (3) | 0.1287 (4) | 0.36902 (18) | 0.0313 (7) | |
| H116 | 0.5146 | 0.2172 | 0.4153 | 0.038* | |
| C121 | 0.1197 (3) | 0.3509 (3) | 0.41523 (15) | 0.0227 (6) | |
| N122 | −0.0518 (3) | 0.2959 (3) | 0.38395 (15) | 0.0300 (6) | |
| C123 | −0.0959 (4) | 0.4009 (4) | 0.35135 (19) | 0.0352 (7) | |
| H123 | −0.216 | 0.3661 | 0.3298 | 0.042* | |
| C124 | 0.0236 (4) | 0.5571 (4) | 0.34727 (17) | 0.0310 (7) | |
| H124 | −0.0142 | 0.6263 | 0.3228 | 0.037* | |
| C125 | 0.1972 (4) | 0.6111 (4) | 0.37892 (17) | 0.0316 (7) | |
| H125 | 0.2816 | 0.7184 | 0.3773 | 0.038* | |
| C126 | 0.2464 (3) | 0.5055 (3) | 0.41316 (16) | 0.0256 (6) | |
| H126 | 0.3659 | 0.5388 | 0.4351 | 0.031* | |
| C10 | −0.0180 (3) | 0.0583 (3) | 0.47773 (16) | 0.0242 (6) | |
| H10A | −0.0786 | 0.121 | 0.5142 | 0.029* | |
| H10B | −0.0962 | −0.0124 | 0.4216 | 0.029* | |
| P2 | 0.68020 (8) | 0.27338 (9) | 0.04404 (4) | 0.02132 (18) | |
| O2 | 0.7095 (2) | 0.3187 (2) | −0.03767 (11) | 0.0278 (4) | |
| C211 | 0.6499 (3) | 0.4398 (3) | 0.12649 (16) | 0.0213 (6) | |
| N212 | 0.6135 (3) | 0.4071 (3) | 0.20118 (14) | 0.0279 (5) | |
| C213 | 0.6005 (4) | 0.5335 (4) | 0.26420 (18) | 0.0327 (7) | |
| H213 | 0.5758 | 0.5138 | 0.3179 | 0.039* | |
| C214 | 0.6210 (3) | 0.6903 (4) | 0.2556 (2) | 0.0358 (7) | |
| H214 | 0.6111 | 0.7759 | 0.3025 | 0.043* | |
| C215 | 0.6559 (3) | 0.7211 (4) | 0.1781 (2) | 0.0347 (7) | |
| H215 | 0.6695 | 0.8277 | 0.1702 | 0.042* | |
| C216 | 0.6707 (3) | 0.5931 (4) | 0.11223 (19) | 0.0299 (7) | |
| H216 | 0.6949 | 0.61 | 0.058 | 0.036* | |
| C221 | 0.8672 (3) | 0.2545 (3) | 0.09411 (16) | 0.0218 (6) | |
| N222 | 0.8365 (3) | 0.1354 (3) | 0.13511 (14) | 0.0285 (5) | |
| C223 | 0.9776 (4) | 0.1286 (4) | 0.17259 (18) | 0.0335 (7) | |
| H223 | 0.9594 | 0.0457 | 0.2022 | 0.04* | |
| C224 | 1.1484 (4) | 0.2342 (4) | 0.17114 (18) | 0.0330 (7) | |
| H224 | 1.2439 | 0.2227 | 0.1984 | 0.04* | |
| C225 | 1.1771 (3) | 0.3559 (4) | 0.12949 (18) | 0.0342 (7) | |
| H225 | 1.2929 | 0.4316 | 0.1281 | 0.041* | |
| C226 | 1.0340 (3) | 0.3661 (4) | 0.08959 (17) | 0.0278 (6) | |
| H226 | 1.0498 | 0.4481 | 0.0596 | 0.033* | |
| C20 | 0.4938 (3) | 0.0766 (3) | 0.03363 (16) | 0.0212 (6) | |
| H20A | 0.4874 | 0.0554 | 0.0905 | 0.025* | |
| H20B | 0.3853 | 0.0876 | 0.0159 | 0.025* |