x	y	z	Uiso*/Ueq
S1	1.06212 (3)	0.49379 (4)	0.36297 (2)	0.02864 (14)
N1	0.52909 (11)	0.54447 (14)	0.29113 (8)	0.0249 (3)
N2	0.60148 (11)	0.41615 (13)	0.33081 (8)	0.0235 (3)
N3	0.86566 (11)	0.29657 (15)	0.28254 (8)	0.0263 (3)
H3A	0.9039	0.2256	0.2559	0.032*
N4	0.74091 (11)	0.27516 (15)	0.27154 (9)	0.0273 (3)
N5	0.81912 (11)	0.48358 (13)	0.35855 (8)	0.0205 (3)
N6	0.81859 (11)	0.61690 (14)	0.41236 (8)	0.0262 (3)
H6A	0.8704	0.5948	0.4699	0.031*
H6B	0.8512	0.6973	0.3878	0.031*
C1	0.60875 (14)	0.17810 (17)	0.42641 (9)	0.0251 (3)
C2	0.72215 (17)	0.1972 (2)	0.49645 (11)	0.0399 (4)
H2	0.7559	0.3009	0.5120	0.048*
C3	0.78631 (19)	0.0666 (2)	0.54370 (13)	0.0469 (5)
H3	0.8636	0.0807	0.5914	0.056*
C4	0.73738 (18)	−0.0845 (2)	0.52122 (12)	0.0392 (4)
H4	0.7808	−0.1744	0.5538	0.047*
C5	0.62567 (16)	−0.10472 (18)	0.45161 (11)	0.0344 (4)
H5	0.5927	−0.2088	0.4362	0.041*
C6	0.56078 (15)	0.02533 (18)	0.40384 (11)	0.0292 (3)
H6	0.4839	0.0102	0.3559	0.035*
C7	0.54349 (13)	0.31865 (17)	0.37531 (9)	0.0239 (3)
C8	0.43020 (14)	0.38690 (19)	0.36366 (10)	0.0287 (3)
H8	0.3670	0.3482	0.3862	0.034*
C9	0.42509 (14)	0.52643 (18)	0.31143 (10)	0.0262 (3)
C10	0.71675 (13)	0.39120 (16)	0.31857 (9)	0.0218 (3)
C11	0.91672 (13)	0.42285 (16)	0.33429 (9)	0.0222 (3)
C12	0.32313 (15)	0.6470 (2)	0.28071 (13)	0.0386 (4)
H12A	0.3481	0.7316	0.2466	0.058*
H12B	0.3074	0.6928	0.3343	0.058*
H12C	0.2469	0.5957	0.2411	0.058*