x	y	z	Uiso*/Ueq	Occ. (<1)
O2b	0.8418 (3)	0.56169 (11)	0.78950 (14)	0.0440 (8)	0.727 (4)
H61b	0.852107	0.560819	0.76707	0.0359*	0.273 (4)
O21b	0.7735 (8)	0.6569 (3)	0.4912 (4)	0.048 (2)	0.273 (4)
H6b	0.805712	0.644967	0.507207	0.0328*	0.727 (4)
O11b	0.5083 (2)	0.68884 (8)	0.59278 (11)	0.0444 (6)
O12b	0.5447 (2)	0.64534 (8)	0.73586 (12)	0.0524 (7)
O31b	1.1108 (3)	0.45706 (10)	0.81717 (14)	0.0829 (9)
O32b	1.4073 (3)	0.47245 (10)	0.75770 (13)	0.0775 (8)
O51b	1.3288 (3)	0.55869 (9)	0.44602 (12)	0.0603 (7)
O52b	1.0707 (3)	0.63212 (10)	0.39870 (12)	0.0680 (8)
N3b	1.2111 (3)	0.48284 (10)	0.76049 (14)	0.0472 (8)
N5b	1.1654 (3)	0.59180 (10)	0.45701 (14)	0.0418 (7)
C1b	0.8002 (3)	0.60956 (10)	0.63903 (15)	0.0264 (7)
C2b	0.9062 (3)	0.56604 (11)	0.70954 (15)	0.0299 (7)
C3b	1.0952 (3)	0.53063 (10)	0.69140 (15)	0.0309 (7)
C4b	1.1814 (3)	0.53946 (10)	0.61042 (15)	0.0309 (7)
C5b	1.0736 (3)	0.58234 (10)	0.54290 (14)	0.0271 (7)
C6b	0.8810 (3)	0.61681 (10)	0.55538 (15)	0.0273 (7)
C11b	0.6030 (3)	0.65080 (11)	0.65583 (18)	0.0351 (8)
N1a	−0.1521 (2)	0.82026 (8)	0.63826 (12)	0.0293 (6)
N8a	0.1721 (2)	0.76019 (9)	0.67283 (12)	0.0373 (7)
C2a	−0.3261 (3)	0.85089 (11)	0.57022 (15)	0.0370 (8)
C3a	−0.2602 (3)	0.91805 (11)	0.52679 (15)	0.0401 (8)
C4a	−0.1188 (3)	0.90791 (11)	0.45061 (16)	0.0417 (8)
C5a	0.0933 (3)	0.86805 (11)	0.48032 (14)	0.0401 (8)
C6a	0.0611 (3)	0.79367 (11)	0.51423 (14)	0.0344 (8)
C7a	0.0226 (3)	0.79087 (10)	0.61288 (14)	0.0268 (7)
C9a	0.1394 (8)	0.7480 (3)	0.7694 (4)	0.0377 (17)	0.687 (4)
C10a	0.0234 (5)	0.8112 (2)	0.8006 (2)	0.0388 (12)	0.687 (4)
C11a	−0.1865 (3)	0.82334 (13)	0.73606 (16)	0.0375 (8)
C13a	0.192 (2)	0.7733 (6)	0.7752 (10)	0.0377 (17)	0.313 (4)
C12a	−0.0453 (12)	0.7700 (5)	0.7962 (6)	0.0388 (12)	0.313 (4)
H4b	1.313123	0.516393	0.601144	0.0371*
H8a	0.304017	0.743029	0.652706	0.073 (8)*
H10a	0.119515	0.852593	0.800333	0.0466*	0.686
H21a	−0.458393	0.859249	0.600103	0.0444*
H22a	−0.373911	0.816372	0.520773	0.0444*
H31a	−0.393523	0.944805	0.502041	0.0481*
H32a	−0.182575	0.948658	0.575716	0.0481*
H41a	−0.084564	0.95395	0.425285	0.0501*
H42a	−0.20539	0.883982	0.397103	0.0501*
H51a	0.180506	0.866759	0.428286	0.0482*
H52a	0.186838	0.894538	0.52943	0.0482*
H61a	0.191356	0.765112	0.506561	0.0413*
H62a	−0.063947	0.77162	0.474177	0.0413*
H91a	0.046176	0.706149	0.772504	0.0452*	0.687 (4)
H92a	0.283833	0.74265	0.808712	0.0452*	0.687 (4)
H11a	−0.009873	0.803439	0.864351	0.0466*	0.686
H12a	−0.318 (2)	0.7965 (9)	0.7425 (13)	0.045*
H13a	−0.230 (3)	0.8711 (6)	0.7485 (13)	0.045*
H14a	−0.105082	0.7226	0.782436	0.0466*	0.313 (4)
H15a	−0.047311	0.780768	0.862598	0.0466*	0.313 (4)
H16a	0.27893	0.735519	0.809131	0.0452*	0.313 (4)
H17a	0.251697	0.820686	0.789237	0.0452*	0.313 (4)
H21b	0.621837	0.678052	0.538628	0.082 (11)*	0.273 (4)
H2b	0.702896	0.598291	0.774475	0.082 (11)*	0.727 (4)