| x | y | z | Uiso*/Ueq | ||
| Co1 | 0.97214 (3) | 0.479038 (15) | 0.21508 (2) | 0.0178 | |
| O2 | 1.10949 (15) | 0.41005 (8) | 0.18293 (11) | 0.0221 | |
| C3 | 1.1436 (2) | 0.35913 (12) | 0.24402 (16) | 0.0197 | |
| N4 | 1.22358 (19) | 0.30776 (11) | 0.23500 (15) | 0.0266 | |
| N5 | 1.09857 (18) | 0.35397 (10) | 0.32629 (14) | 0.0237 | |
| N6 | 1.01658 (17) | 0.40702 (10) | 0.33633 (13) | 0.0189 | |
| C7 | 0.9609 (2) | 0.39890 (12) | 0.40564 (16) | 0.0191 | |
| C8 | 0.8744 (2) | 0.45254 (11) | 0.42558 (16) | 0.0183 | |
| C9 | 0.8127 (2) | 0.43675 (12) | 0.50011 (16) | 0.0200 | |
| C10 | 0.8221 (2) | 0.36423 (12) | 0.55277 (17) | 0.0232 | |
| O11 | 0.94816 (15) | 0.34273 (8) | 0.60528 (11) | 0.0235 | |
| C12 | 0.7357 (2) | 0.48771 (12) | 0.52394 (17) | 0.0229 | |
| N13 | 0.71667 (17) | 0.55170 (10) | 0.47433 (14) | 0.0226 | |
| C14 | 0.7688 (2) | 0.56970 (12) | 0.40180 (16) | 0.0201 | |
| C15 | 0.85115 (19) | 0.52005 (12) | 0.37386 (15) | 0.0186 | |
| O16 | 0.90135 (15) | 0.54119 (8) | 0.30417 (12) | 0.0230 | |
| C17 | 0.7403 (2) | 0.64164 (12) | 0.35176 (18) | 0.0256 | |
| O18 | 1.11612 (15) | 0.55823 (9) | 0.23239 (11) | 0.0246 | |
| C19 | 1.1000 (2) | 0.59940 (12) | 0.15863 (16) | 0.0195 | |
| N20 | 0.99748 (17) | 0.59111 (10) | 0.07567 (14) | 0.0211 | |
| N21 | 0.91416 (17) | 0.53710 (9) | 0.08134 (13) | 0.0187 | |
| C22 | 0.8162 (2) | 0.52824 (12) | 0.00484 (16) | 0.0191 | |
| C23 | 0.7192 (2) | 0.47389 (12) | 0.00103 (16) | 0.0197 | |
| C24 | 0.7303 (2) | 0.42092 (12) | 0.07771 (17) | 0.0212 | |
| O25 | 0.82772 (15) | 0.41181 (8) | 0.15522 (12) | 0.0231 | |
| C26 | 0.6286 (2) | 0.37144 (13) | 0.06785 (18) | 0.0271 | |
| N27 | 0.52905 (19) | 0.37585 (12) | −0.01369 (16) | 0.0308 | |
| C28 | 0.5171 (2) | 0.42374 (14) | −0.08929 (18) | 0.0288 | |
| C29 | 0.6111 (2) | 0.47329 (13) | −0.08471 (16) | 0.0225 | |
| C30 | 0.5993 (2) | 0.52333 (13) | −0.17260 (16) | 0.0253 | |
| O31 | 0.49006 (17) | 0.50463 (10) | −0.25181 (14) | 0.0361 | |
| C32 | 0.6314 (3) | 0.31578 (15) | 0.1459 (2) | 0.0380 | |
| N33 | 1.17911 (19) | 0.65324 (11) | 0.15436 (15) | 0.0266 | |
| O34 | 0.92284 (17) | 0.30192 (9) | 0.05176 (13) | 0.0298 | |
| O35 | 0.71622 (18) | 0.80490 (10) | 0.60566 (13) | 0.0335 | |
| N36 | 0.75110 (18) | 0.79336 (10) | 0.52883 (14) | 0.0225 | |
| O37 | 0.68648 (16) | 0.81769 (9) | 0.44575 (12) | 0.0291 | |
| O38 | 0.85047 (15) | 0.75880 (9) | 0.53404 (13) | 0.0298 | |
| O39 | 0.41254 (18) | 0.62823 (12) | 0.31113 (15) | 0.0467 | |
| O40 | 0.5576 (2) | 0.67311 (12) | 0.50711 (15) | 0.0484 | |
| N41 | 0.51580 (19) | 0.64733 (13) | 0.57582 (15) | 0.0311 | |
| O42 | 0.5441 (2) | 0.58280 (11) | 0.59929 (16) | 0.0453 | |
| O43 | 0.4521 (2) | 0.68264 (14) | 0.61762 (18) | 0.0566 | |
| H71 | 0.9774 | 0.3573 | 0.4460 | 0.0228* | |
| H101 | 0.7720 | 0.3664 | 0.6016 | 0.0279* | |
| H102 | 0.7876 | 0.3265 | 0.5016 | 0.0267* | |
| H121 | 0.6942 | 0.4791 | 0.5765 | 0.0442* | |
| H172 | 0.8136 | 0.6724 | 0.3747 | 0.0384* | |
| H173 | 0.7197 | 0.6360 | 0.2794 | 0.0387* | |
| H221 | 0.8066 | 0.5589 | −0.0502 | 0.0232* | |
| H271 | 0.4677 | 0.3462 | −0.0184 | 0.0362* | |
| H301 | 0.5918 | 0.5725 | −0.1507 | 0.0287* | |
| H302 | 0.6725 | 0.5194 | −0.1970 | 0.0290* | |
| H321 | 0.5552 | 0.2872 | 0.1270 | 0.0565* | |
| H322 | 0.6385 | 0.3400 | 0.2085 | 0.0563* | |
| H323 | 0.7039 | 0.2852 | 0.1537 | 0.0561* | |
| H325 | 0.9802 | 0.3770 | 0.6409 | 0.0357* | |
| H11 | 0.4517 | 0.6415 | 0.3701 | 0.0682* | |
| H17 | 0.4888 | 0.5336 | −0.2964 | 0.0494* | |
| H23 | 0.6697 | 0.6643 | 0.3664 | 0.0389* | |
| H45 | 0.4494 | 0.5912 | 0.2972 | 0.0683* | |
| H7 | 0.9433 | 0.2609 | 0.0759 | 0.0456* | |
| H19 | 0.9005 | 0.3256 | 0.0950 | 0.0455* | |
| H324 | 0.4444 | 0.4228 | −0.1444 | 0.0326* | |
| H131 | 0.6742 | 0.5791 | 0.4884 | 0.0126* | |
| H2 | 1.1172 | 0.3178 | 0.3671 | 0.0294* | |
| H3 | 1.2527 | 0.3079 | 0.1833 | 0.0331* | |
| H4 | 1.2454 | 0.6582 | 0.2043 | 0.0307* | |
| H5 | 1.1634 | 0.6795 | 0.0993 | 0.0304* | |
| H6 | 1.2462 | 0.2740 | 0.2810 | 0.0331* | |
| H9 | 0.9850 | 0.6186 | 0.0235 | 0.0258* |