x	y	z	Uiso*/Ueq	Occ. (<1)
O1	1.26119 (18)	−0.00858 (10)	0.39744 (5)	0.0464 (3)
O2	−0.234 (5)	0.8701 (17)	−0.0212 (8)	0.068 (3)	0.50
O3	−0.424 (5)	0.940 (2)	0.1072 (12)	0.0525 (17)	0.50
H3	−0.5052	1.0045	0.0769	0.079*	0.50
O2X	−0.392 (5)	0.943 (2)	0.0945 (13)	0.062 (3)	0.50
O3X	−0.267 (5)	0.8749 (16)	−0.0231 (8)	0.065 (3)	0.50
H3X	−0.3393	0.9554	−0.0404	0.098*	0.50
N1	0.6027 (2)	0.37818 (12)	0.20184 (7)	0.0442 (3)
N2	0.4446 (2)	0.45802 (12)	0.24161 (7)	0.0444 (3)
C1	1.6508 (4)	−0.33243 (19)	0.43299 (12)	0.0807 (6)
H1A	1.5953	−0.3863	0.3931	0.097*
H1B	1.7412	−0.3818	0.4775	0.097*
C2	1.6019 (3)	−0.18848 (16)	0.42651 (9)	0.0538 (4)
H2A	1.6599	−0.1378	0.4674	0.065*
C3	1.4597 (3)	−0.09989 (14)	0.35815 (8)	0.0437 (3)
H3A	1.5844	−0.0364	0.3182	0.052*
H3B	1.3758	−0.1671	0.3273	0.052*
C4	1.1092 (2)	0.08615 (13)	0.34590 (7)	0.0373 (3)
C5	1.1259 (3)	0.09639 (14)	0.25801 (7)	0.0421 (3)
H5A	1.2504	0.0384	0.2297	0.051*
C6	0.9539 (3)	0.19454 (14)	0.21297 (8)	0.0438 (3)
H6A	0.9626	0.2013	0.1541	0.053*
C7	0.7698 (3)	0.28242 (13)	0.25406 (8)	0.0395 (3)
C8	0.7558 (3)	0.27159 (14)	0.34268 (8)	0.0434 (3)
H8A	0.6323	0.3302	0.3709	0.052*
C9	0.9240 (3)	0.17465 (14)	0.38793 (8)	0.0436 (3)
H9A	0.9147	0.1678	0.4468	0.052*
C10	0.2754 (3)	0.55478 (13)	0.18998 (8)	0.0412 (3)
C11	0.2795 (3)	0.56604 (17)	0.10240 (9)	0.0572 (4)
H11A	0.3976	0.5065	0.0729	0.069*
C12	0.1078 (3)	0.66589 (17)	0.05898 (9)	0.0579 (4)
H12A	0.1103	0.6733	0.0002	0.069*
C13	−0.0685 (3)	0.75530 (14)	0.10282 (8)	0.0427 (3)
C14	−0.0730 (3)	0.74195 (15)	0.19032 (8)	0.0463 (3)
H14A	−0.1914	0.8010	0.2201	0.056*
C15	0.0973 (3)	0.64144 (15)	0.23369 (8)	0.0455 (3)
H15A	0.0919	0.6322	0.2926	0.055*
C16	−0.2538 (3)	0.86292 (15)	0.05719 (8)	0.0461 (3)