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. 2013 May 31;69(Pt 6):o988–o989. doi: 10.1107/S1600536813014104
x y z Uiso*/Ueq Occ. (<1)
N1 −0.08400 (18) 0.74686 (19) 0.49897 (9) 0.0410 (6)
N2A 0.1170 (5) 0.7384 (5) 0.5420 (2) 0.0353 (16) 0.615 (3)
C1 −0.0060 (2) 0.8077 (2) 0.45077 (12) 0.0403 (7)
C2A 0.1231 (6) 0.8099 (6) 0.4794 (3) 0.0360 (17) 0.615 (3)
C3 −0.0081 (2) 0.6952 (2) 0.54940 (11) 0.0402 (7)
C4 −0.0590 (2) 0.6243 (2) 0.61210 (11) 0.0394 (7)
C5 0.0089 (2) 0.5150 (2) 0.64866 (11) 0.0437 (7)
C6 −0.0425 (2) 0.4520 (3) 0.70782 (12) 0.0486 (8)
C7 −0.1627 (3) 0.4953 (3) 0.73117 (12) 0.0515 (8)
C8 −0.2316 (2) 0.6021 (3) 0.69493 (13) 0.0489 (8)
C9 −0.1804 (2) 0.6654 (3) 0.63597 (13) 0.0454 (8)
C10 −0.0566 (2) 0.8751 (2) 0.38715 (11) 0.0390 (7)
C11 −0.1781 (2) 0.8326 (3) 0.36242 (12) 0.0441 (8)
C12 −0.2281 (2) 0.8935 (3) 0.30231 (12) 0.0482 (8)
C13 −0.1588 (2) 0.9992 (3) 0.26605 (12) 0.0496 (8)
C14 −0.0392 (2) 1.0439 (3) 0.29035 (12) 0.0494 (8)
C15 0.0118 (2) 0.9824 (2) 0.35016 (11) 0.0429 (7)
C16A 0.2459 (4) 0.8604 (4) 0.44996 (18) 0.0334 (11) 0.615 (3)
C17A 0.2941 (6) 0.9947 (9) 0.4667 (4) 0.0396 (16) 0.615 (3)
C18A 0.4150 (3) 1.0459 (4) 0.43689 (18) 0.0403 (11) 0.615 (3)
C19A 0.4771 (4) 0.9553 (5) 0.39306 (19) 0.0470 (14) 0.615 (3)
C20A 0.4300 (4) 0.8172 (5) 0.3761 (2) 0.0543 (14) 0.615 (3)
C21A 0.3143 (5) 0.7684 (5) 0.4041 (2) 0.0500 (16) 0.615 (3)
C22A 0.2230 (4) 0.7339 (5) 0.5920 (2) 0.0505 (10) 0.615 (3)
C23A 0.3217 (4) 0.6142 (5) 0.5810 (2) 0.0505 (10) 0.615 (3)
C24A 0.3129 (6) 0.5098 (6) 0.5380 (2) 0.0505 (10) 0.615 (3)
C24B 0.3213 (17) 0.999 (2) 0.4606 (8) 0.060 (2) 0.385 (3)
C17B 0.2961 (4) 0.5016 (5) 0.5314 (2) 0.085 (4) 0.385 (3)
C18B 0.4132 (4) 0.4561 (4) 0.5598 (2) 0.0480 (19) 0.385 (3)
C19B 0.4774 (3) 0.5477 (5) 0.6067 (2) 0.058 (2) 0.385 (3)
C20B 0.4245 (4) 0.6848 (5) 0.6252 (2) 0.063 (3) 0.385 (3)
N2B 0.1125 (8) 0.7634 (8) 0.4574 (4) 0.039 (2) 0.385 (3)
C2B 0.1184 (10) 0.6892 (9) 0.5210 (5) 0.038 (3) 0.385 (3)
C16B 0.2432 (3) 0.6387 (5) 0.5499 (2) 0.0393 (19) 0.385 (3)
C23B 0.3136 (8) 0.8876 (10) 0.4214 (4) 0.060 (2) 0.385 (3)
C21B 0.3074 (4) 0.7303 (4) 0.5968 (2) 0.059 (3) 0.385 (3)
C22B 0.2197 (8) 0.7681 (9) 0.4076 (4) 0.060 (2) 0.385 (3)
H6 0.00520 0.37850 0.73250 0.0580*
H7 −0.19750 0.45210 0.77180 0.0620*
H8 −0.31430 0.63210 0.71050 0.0590*
H9 −0.22900 0.73820 0.61130 0.0540*
H5 0.09120 0.48350 0.63290 0.0530*
H22B 0.26730 0.83200 0.59130 0.0610* 0.615 (3)
H23A 0.39730 0.61750 0.60890 0.0610* 0.615 (3)
H24A 0.23890 0.50240 0.50900 0.0610* 0.615 (3)
H24B 0.38020 0.43820 0.53430 0.0610* 0.615 (3)
H11 −0.22710 0.76080 0.38720 0.0530*
H12 −0.31050 0.86250 0.28590 0.0580*
H13 −0.19300 1.04080 0.22470 0.0600*
H14 0.00840 1.11730 0.26590 0.0590*
H15 0.09440 1.01370 0.36610 0.0510*
H17A 0.24920 1.05690 0.49830 0.0480* 0.615 (3)
H18A 0.44920 1.14150 0.44820 0.0490* 0.615 (3)
H19A 0.55590 0.98800 0.37330 0.0560* 0.615 (3)
H20A 0.47620 0.75470 0.34530 0.0650* 0.615 (3)
H21A 0.28130 0.67260 0.39230 0.0600* 0.615 (3)
H22A 0.18590 0.72080 0.63850 0.0610* 0.615 (3)
H17B 0.25230 0.43900 0.49930 0.1020* 0.385 (3)
H18B 0.44940 0.36250 0.54720 0.0570* 0.385 (3)
H19B 0.55740 0.51670 0.62610 0.0700* 0.385 (3)
H20B 0.46830 0.74740 0.65720 0.0760* 0.385 (3)
H21B 0.27130 0.82390 0.60940 0.0710* 0.385 (3)
H22C 0.26510 0.67060 0.40850 0.0730* 0.385 (3)
H22D 0.18350 0.78200 0.36070 0.0730* 0.385 (3)
H23B 0.38800 0.87800 0.39330 0.0730* 0.385 (3)
H24C 0.25300 1.02150 0.49140 0.0730* 0.385 (3)
H24D 0.39560 1.06170 0.45950 0.0730* 0.385 (3)