x	y	z	Uiso*/Ueq	Occ. (<1)
S1A	0.93115 (11)	0.05062 (5)	0.82595 (2)	0.01751 (15)
S2A	0.13864 (11)	−0.19901 (5)	0.99817 (3)	0.02041 (15)
N1A	0.5271 (3)	0.01724 (17)	0.90359 (8)	0.0153 (4)
N2A	0.3543 (3)	−0.02135 (17)	0.94186 (8)	0.0163 (4)
H2NA	0.225 (3)	0.0337 (19)	0.9488 (10)	0.028 (7)*
N3A	0.5742 (4)	−0.22703 (18)	0.94436 (8)	0.0170 (4)
H3NA	0.691 (3)	−0.195 (2)	0.9300 (10)	0.022 (7)*
C1A	0.6844 (4)	0.1718 (2)	0.84181 (9)	0.0150 (5)
C2A	0.6914 (4)	0.2885 (2)	0.80979 (9)	0.0182 (5)
H2A	0.5730	0.3648	0.8132	0.022*
C3A	0.8956 (4)	0.2843 (2)	0.77044 (9)	0.0175 (5)
C4A	0.9572 (5)	0.3831 (2)	0.72958 (10)	0.0238 (6)
H4A	0.8591	0.4678	0.7260	0.029*
C5A	1.1606 (5)	0.3570 (2)	0.69452 (10)	0.0253 (6)
H5A	1.2001	0.4241	0.6665	0.030*
C6A	1.3095 (5)	0.2332 (2)	0.69971 (10)	0.0241 (6)
H6A	1.4497	0.2169	0.6755	0.029*
C7A	1.2534 (4)	0.1345 (2)	0.73997 (10)	0.0222 (5)
H7A	1.3555	0.0506	0.7440	0.027*
C8A	1.0452 (4)	0.1596 (2)	0.77463 (9)	0.0162 (5)
C9A	0.4991 (4)	0.1378 (2)	0.88361 (9)	0.0148 (5)
C10A	0.2935 (4)	0.2411 (2)	0.89979 (10)	0.0203 (5)
H10A	0.2988	0.2372	0.9419	0.030*
H10B	0.1328	0.2289	0.8887	0.030*
H10C	0.3146	0.3244	0.8793	0.030*
C11A	0.3697 (4)	−0.1483 (2)	0.95961 (9)	0.0154 (5)
C12A	0.6216 (4)	−0.3666 (2)	0.95906 (10)	0.0194 (5)
H12A	0.4719	−0.3938	0.9496	0.023*
H12B	0.6555	−0.3954	1.0013	0.023*
C13A	0.8407 (4)	−0.4280 (2)	0.92596 (11)	0.0253 (6)
H13A	0.8674	−0.5210	0.9362	0.038*
H13B	0.9899	−0.4029	0.9361	0.038*
H13C	0.8068	−0.4000	0.8841	0.038*
S1B	0.67836 (11)	0.71828 (5)	0.64398 (3)	0.01964 (15)
S2B	1.51802 (11)	0.85218 (6)	0.44850 (3)	0.02281 (16)
N1B	1.0500 (3)	0.82960 (18)	0.57598 (8)	0.0180 (4)
N2B	1.2186 (4)	0.87090 (19)	0.53790 (8)	0.0187 (4)
H2NB	1.300 (4)	0.9225 (19)	0.5457 (11)	0.028 (8)*
N3B	1.1624 (4)	0.72808 (19)	0.48311 (9)	0.0205 (5)
H3NB	1.040 (3)	0.721 (2)	0.5042 (9)	0.022 (7)*
C1B	0.8201 (4)	0.8337 (2)	0.66072 (10)	0.0159 (5)
C2B	0.7499 (4)	0.8626 (2)	0.71398 (9)	0.0163 (5)
H2B	0.8087	0.9234	0.7301	0.020*
C3B	0.5797 (4)	0.7926 (2)	0.74310 (9)	0.0161 (5)
C4B	0.4694 (4)	0.7975 (2)	0.79772 (10)	0.0207 (5)
H4B	0.5074	0.8524	0.8210	0.025*
C5B	0.3050 (4)	0.7218 (2)	0.81723 (11)	0.0241 (6)
H5B	0.2285	0.7258	0.8539	0.029*
C6B	0.2499 (4)	0.6392 (2)	0.78363 (11)	0.0256 (6)
H6B	0.1380	0.5872	0.7979	0.031*
C7B	0.3576 (4)	0.6328 (2)	0.72976 (11)	0.0234 (6)
H7B	0.3197	0.5771	0.7069	0.028*
C8B	0.5215 (4)	0.7090 (2)	0.70985 (10)	0.0179 (5)
C9B	0.9933 (4)	0.8839 (2)	0.62066 (9)	0.0156 (5)
C10B	1.0962 (4)	0.9905 (2)	0.63256 (10)	0.0204 (5)
H10D	1.0649	1.0607	0.5988	0.031*
H10E	1.2757	0.9602	0.6400	0.031*
H10F	1.0154	1.0207	0.6667	0.031*
C11B	1.2880 (4)	0.8130 (2)	0.49148 (9)	0.0163 (5)
C12B	1.1924 (5)	0.6655 (2)	0.43327 (12)	0.0370 (7)
H12C	1.3697	0.6441	0.4224	0.044*	0.50
H12D	1.0953	0.7219	0.3995	0.044*	0.50
H12E	1.2155	0.7286	0.4004	0.044*	0.50
H12F	1.0372	0.6450	0.4271	0.044*	0.50
C131	1.0968 (10)	0.5437 (4)	0.4516 (2)	0.0281 (12)	0.50
H13D	0.9176	0.5667	0.4586	0.042*	0.50
H13E	1.1834	0.4928	0.4873	0.042*	0.50
H13F	1.1282	0.4939	0.4205	0.042*	0.50
C132	1.3847 (8)	0.5534 (4)	0.4312 (2)	0.0265 (12)	0.50
H13G	1.5473	0.5719	0.4354	0.040*	0.50
H13H	1.3754	0.5271	0.3939	0.040*	0.50
H13I	1.3629	0.4846	0.4630	0.040*	0.50