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. 2008 Nov 29;64(Pt 12):o2464. doi: 10.1107/S1600536808038865
x y z Uiso*/Ueq
S1A 0.37972 (11) 0.52517 (4) 0.22349 (11) 0.0182 (3)
O1A 0.4951 (3) 0.55663 (9) 0.2732 (3) 0.0189 (7)
O2A 0.3525 (3) 0.49236 (9) 0.3284 (3) 0.0162 (7)
O3A 0.2535 (3) 0.54799 (8) 0.2091 (3) 0.0228 (7)
O4A 0.4438 (3) 0.50234 (10) 0.1291 (3) 0.0219 (7)
Cl1A 0.32327 (13) 0.81401 (4) 0.83893 (12) 0.0332 (3)
Cl2A 0.34106 (12) 0.39176 (4) 0.28495 (11) 0.0249 (3)
Cl3A 0.55811 (11) 0.39177 (4) 0.46162 (11) 0.0250 (3)
Cl4A 0.28608 (11) 0.42787 (4) 0.51617 (10) 0.0251 (3)
C1A 0.4100 (4) 0.66199 (14) 0.5036 (4) 0.0185 (10)
C2A 0.4593 (5) 0.66887 (14) 0.3888 (4) 0.0253 (10)
H2A 0.4777 0.6981 0.3627 0.030*
C3A 0.4817 (4) 0.63383 (14) 0.3129 (4) 0.0255 (11)
H3A 0.5129 0.6390 0.2346 0.031*
C4A 0.4583 (4) 0.59162 (14) 0.3517 (4) 0.0169 (10)
C5A 0.4137 (4) 0.58287 (15) 0.4644 (4) 0.0192 (10)
H5A 0.4002 0.5534 0.4905 0.023*
C6A 0.3889 (4) 0.61848 (14) 0.5396 (4) 0.0203 (11)
H6A 0.3567 0.6129 0.6174 0.024*
C7A 0.4706 (4) 0.46577 (13) 0.3666 (4) 0.0171 (10)
H7A1 0.5192 0.4804 0.4329 0.021*
H7A2 0.5371 0.4619 0.3008 0.021*
C8A 0.4136 (4) 0.42113 (14) 0.4058 (4) 0.0174 (10)
C1'A 0.3849 (4) 0.69949 (14) 0.5865 (4) 0.0202 (10)
C2'A 0.3782 (4) 0.69245 (14) 0.7090 (4) 0.0229 (10)
H2'A 0.3882 0.6634 0.7393 0.028*
C3'A 0.3573 (5) 0.72738 (14) 0.7862 (4) 0.0278 (11)
H3'A 0.3519 0.7224 0.8689 0.033*
C4'A 0.3444 (5) 0.76930 (14) 0.7414 (4) 0.0215 (11)
C5'A 0.3477 (4) 0.77735 (13) 0.6205 (4) 0.0265 (11)
H5'A 0.3351 0.8064 0.5905 0.032*
C6'A 0.3696 (5) 0.74235 (14) 0.5456 (4) 0.0259 (11)
H6'A 0.3744 0.7477 0.4631 0.031*
S1B 0.36151 (11) 0.02678 (3) 0.20279 (10) 0.0170 (2)
O1B 0.4725 (3) 0.06109 (9) 0.1597 (3) 0.0197 (7)
O2B 0.3431 (3) −0.00442 (9) 0.0931 (3) 0.0180 (7)
O3B 0.2310 (3) 0.04755 (8) 0.2178 (3) 0.0214 (7)
O4B 0.4277 (3) 0.00352 (10) 0.2956 (3) 0.0210 (7)
Cl1B 0.29897 (13) 0.31088 (4) −0.42521 (12) 0.0308 (3)
Cl2B 0.30154 (11) −0.06864 (4) −0.10670 (11) 0.0226 (3)
Cl3B 0.55924 (11) −0.10661 (4) −0.02190 (12) 0.0258 (3)
Cl4B 0.31521 (12) −0.10380 (4) 0.12863 (11) 0.0249 (3)
C1B 0.3812 (5) 0.16175 (14) −0.0805 (4) 0.0198 (10)
C2B 0.4206 (4) 0.12024 (14) −0.1204 (4) 0.0201 (10)
H2B 0.4293 0.1149 −0.2027 0.024*
C3B 0.4471 (4) 0.08652 (15) −0.0409 (5) 0.0223 (11)
H3B 0.4745 0.0581 −0.0680 0.027*
C4B 0.4335 (4) 0.09461 (14) 0.0765 (5) 0.0183 (10)
C5B 0.3896 (4) 0.13457 (13) 0.1210 (4) 0.0225 (10)
H5B 0.3788 0.1390 0.2035 0.027*
C6B 0.3617 (5) 0.16827 (13) 0.0406 (4) 0.0218 (10)
H6B 0.3291 0.1960 0.0684 0.026*
C7B 0.4627 (4) −0.03186 (14) 0.0616 (4) 0.0182 (10)
H7B1 0.5231 −0.0362 0.1313 0.022*
H7B2 0.5177 −0.0173 −0.0011 0.022*
C8B 0.4097 (4) −0.07557 (14) 0.0186 (4) 0.0171 (10)
C1'B 0.3608 (4) 0.19884 (14) −0.1657 (4) 0.0189 (10)
C2'B 0.2482 (5) 0.22865 (12) −0.1553 (4) 0.0239 (10)
H2'B 0.1834 0.2250 −0.0928 0.029*
C3'B 0.2307 (5) 0.26276 (13) −0.2336 (4) 0.0236 (10)
H3'B 0.1553 0.2827 −0.2245 0.028*
C4'B 0.3228 (5) 0.26804 (14) −0.3252 (4) 0.0226 (11)
C5'B 0.4350 (5) 0.23942 (14) −0.3388 (4) 0.0247 (11)
H5'B 0.4992 0.2435 −0.4016 0.030*
C6'B 0.4515 (5) 0.20517 (14) −0.2599 (4) 0.0243 (10)
H6'B 0.5270 0.1853 −0.2700 0.029*