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. 2009 May 14;65(Pt 6):o1280. doi: 10.1107/S1600536809016754
x y z Uiso*/Ueq
O1 0.3753 (2) 0.28357 (6) 0.50789 (6) 0.0563 (4)
O2 0.36921 (18) 0.62946 (6) 0.31330 (6) 0.0438 (3)
C1 0.4030 (2) 0.27970 (9) 0.45038 (8) 0.0374 (4)
C2 0.4045 (2) 0.33580 (9) 0.40938 (8) 0.0377 (4)
H2 0.4199 0.3314 0.3647 0.045*
C3 0.3843 (2) 0.39303 (9) 0.43424 (9) 0.0391 (4)
H3 0.3695 0.3943 0.4791 0.047*
C4 0.3530 (3) 0.68540 (8) 0.35105 (8) 0.0404 (5)
H4A 0.4567 0.6891 0.3830 0.049*
H4B 0.2425 0.6836 0.3745 0.049*
C5 0.3465 (3) 0.74114 (9) 0.30660 (8) 0.0410 (5)
H5A 0.2375 0.7387 0.2769 0.049*
H5B 0.4519 0.7403 0.2804 0.049*
C6 0.3451 (3) 0.80230 (9) 0.34415 (8) 0.0407 (5)
H6A 0.2424 0.8018 0.3716 0.049*
H6B 0.4558 0.8048 0.3729 0.049*
C7 0.3323 (3) 0.86063 (9) 0.30226 (9) 0.0485 (5)
H7A 0.4293 0.8596 0.2723 0.058*
H7B 0.2168 0.8600 0.2761 0.058*
C8 0.3457 (3) 0.92128 (10) 0.34037 (12) 0.0625 (6)
H8A 0.3372 0.9570 0.3107 0.094*
H8B 0.4608 0.9227 0.3658 0.094*
H8C 0.2480 0.9233 0.3692 0.094*
C11 0.4342 (2) 0.21639 (9) 0.42220 (8) 0.0344 (4)
C12 0.4295 (2) 0.20512 (9) 0.35622 (8) 0.0400 (4)
H12 0.4078 0.2388 0.3269 0.048*
C13 0.4562 (3) 0.14507 (9) 0.33307 (9) 0.0481 (5)
H13 0.4541 0.1379 0.2880 0.058*
C14 0.4859 (3) 0.09584 (10) 0.37528 (10) 0.0527 (5)
H14 0.5021 0.0546 0.3593 0.063*
C15 0.4920 (3) 0.10636 (10) 0.44094 (10) 0.0544 (6)
H15 0.5140 0.0725 0.4701 0.065*
C16 0.4661 (3) 0.16618 (9) 0.46385 (9) 0.0463 (5)
H16 0.4701 0.1731 0.5090 0.056*
C21 0.3818 (2) 0.45381 (9) 0.40194 (8) 0.0366 (4)
C22 0.4064 (2) 0.46178 (9) 0.33614 (8) 0.0419 (5)
H22 0.4264 0.4261 0.3103 0.050*
C23 0.4021 (3) 0.52028 (9) 0.30860 (9) 0.0438 (5)
H23 0.4190 0.5246 0.2640 0.053*
C24 0.3730 (2) 0.57350 (9) 0.34540 (8) 0.0373 (4)
C25 0.3491 (3) 0.56698 (9) 0.41056 (8) 0.0422 (5)
H25 0.3308 0.6029 0.4363 0.051*
C26 0.3522 (3) 0.50777 (9) 0.43742 (9) 0.0431 (5)
H26 0.3334 0.5036 0.4818 0.052*
O1A 0.8034 (2) 0.81245 (6) 0.24815 (6) 0.0549 (4)
O2A 0.90510 (18) 0.45190 (6) 0.41506 (5) 0.0432 (3)
C1A 0.8272 (2) 0.80873 (9) 0.30728 (8) 0.0386 (4)
C2A 0.8414 (2) 0.74769 (9) 0.33972 (8) 0.0383 (4)
H2A 0.8414 0.7464 0.3853 0.046*
C3A 0.8545 (2) 0.69393 (9) 0.30771 (8) 0.0386 (4)
H3A 0.8536 0.6969 0.2622 0.046*
C4A 0.9039 (3) 0.39658 (8) 0.37602 (8) 0.0407 (4)
H4A1 1.0081 0.3967 0.3493 0.049*
H4A2 0.7933 0.3951 0.3471 0.049*
C5A 0.9124 (3) 0.34046 (9) 0.42018 (9) 0.0422 (5)
H5A1 0.8057 0.3402 0.4457 0.051*
H5A2 1.0198 0.3438 0.4505 0.051*
C6A 0.9201 (3) 0.27920 (8) 0.38292 (9) 0.0448 (5)
H6A1 0.8104 0.2755 0.3538 0.054*
H6A2 1.0237 0.2806 0.3559 0.054*
C7A 0.9362 (3) 0.22144 (10) 0.42529 (11) 0.0575 (6)
H7A1 0.8292 0.2185 0.4505 0.069*
H7A2 1.0424 0.2259 0.4560 0.069*
C8A 0.9535 (3) 0.16114 (10) 0.38681 (14) 0.0798 (8)
H8A1 0.9630 0.1253 0.4163 0.120*
H8A2 1.0609 0.1633 0.3626 0.120*
H8A3 0.8477 0.1561 0.3568 0.120*
C11A 0.8432 (2) 0.86778 (9) 0.34646 (8) 0.0364 (4)
C12A 0.8455 (3) 0.86841 (9) 0.41317 (8) 0.0441 (5)
H12A 0.8404 0.8300 0.4361 0.053*
C13A 0.8553 (3) 0.92462 (10) 0.44644 (10) 0.0533 (5)
H13A 0.8548 0.9246 0.4920 0.064*
C14A 0.8656 (3) 0.98053 (10) 0.41389 (10) 0.0525 (5)
H14A 0.8725 1.0190 0.4370 0.063*
C15A 0.8661 (3) 0.98060 (9) 0.34781 (10) 0.0512 (5)
H15A 0.8751 1.0192 0.3254 0.061*
C16A 0.8533 (3) 0.92468 (9) 0.31398 (9) 0.0437 (5)
H16A 0.8514 0.9251 0.2683 0.052*
C21A 0.8699 (2) 0.63097 (9) 0.33500 (8) 0.0367 (4)
C22A 0.8770 (3) 0.62003 (9) 0.40134 (8) 0.0412 (5)
H22A 0.8715 0.6546 0.4299 0.049*
C23A 0.8918 (3) 0.56028 (9) 0.42609 (9) 0.0431 (5)
H23A 0.8994 0.5542 0.4714 0.052*
C24A 0.8957 (2) 0.50891 (8) 0.38534 (8) 0.0361 (4)
C25A 0.8902 (2) 0.51804 (9) 0.31898 (8) 0.0405 (5)
H25A 0.8943 0.4833 0.2906 0.049*
C26A 0.8787 (3) 0.57867 (9) 0.29517 (8) 0.0420 (5)
H26A 0.8766 0.5849 0.2500 0.050*