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. 2016 Jan 9;72(Pt 2):128–132. doi: 10.1107/S2056989016000025
x y z Uiso*/Ueq
C1 0.62591 (17) 0.45488 (15) 0.12493 (9) 0.0203 (4)
C2 0.59743 (18) 0.55211 (16) 0.09532 (9) 0.0229 (4)
H32 0.6114 0.6207 0.1110 0.027*
C3 0.54693 (19) 0.52918 (16) 0.04083 (10) 0.0239 (4)
H33 0.5204 0.5793 0.0117 0.029*
C4 0.54015 (17) 0.41647 (15) 0.03442 (9) 0.0204 (4)
C5 0.48857 (17) 0.35700 (16) −0.01260 (9) 0.0209 (4)
C6 0.45205 (17) 0.25105 (16) −0.00211 (9) 0.0196 (4)
C7 0.35626 (19) 0.19968 (16) −0.03491 (9) 0.0227 (4)
H7 0.3092 0.2299 −0.0662 0.027*
C8 0.34703 (18) 0.10171 (16) −0.01265 (9) 0.0228 (4)
H8 0.2923 0.0493 −0.0251 0.027*
C9 0.43661 (17) 0.09110 (15) 0.03413 (9) 0.0197 (4)
C10 0.45654 (18) −0.00410 (16) 0.06508 (9) 0.0212 (4)
C11 0.52777 (18) −0.01752 (16) 0.11669 (9) 0.0229 (4)
C12 0.5508 (2) −0.11397 (17) 0.14810 (10) 0.0289 (5)
H14 0.5230 −0.1817 0.1366 0.035*
C13 0.6196 (2) −0.09202 (17) 0.19738 (11) 0.0286 (5)
H15 0.6477 −0.1415 0.2264 0.034*
C14 0.64198 (18) 0.01871 (16) 0.19762 (9) 0.0220 (4)
C15 0.71165 (17) 0.07601 (16) 0.23872 (9) 0.0213 (4)
C16 0.73131 (18) 0.18453 (16) 0.23489 (9) 0.0220 (4)
C17 0.8031 (2) 0.24329 (18) 0.27767 (9) 0.0269 (4)
H17 0.8470 0.2152 0.3108 0.032*
C18 0.7955 (2) 0.34552 (17) 0.26138 (10) 0.0265 (4)
H16 0.8332 0.4034 0.2807 0.032*
C19 0.71826 (18) 0.34990 (17) 0.20853 (9) 0.0222 (4)
C20 0.68693 (17) 0.44495 (16) 0.17978 (9) 0.0207 (4)
C51 0.4682 (2) 0.40954 (17) −0.07592 (10) 0.0258 (4)
C52 0.5728 (3) 0.4822 (2) −0.09285 (11) 0.0416 (6)
H26 0.5619 0.5091 −0.1343 0.062*
H28 0.6466 0.4422 −0.0907 0.062*
H27 0.5762 0.5415 −0.0643 0.062*
C53 0.3523 (2) 0.4725 (2) −0.07555 (12) 0.0379 (6)
H25 0.3423 0.5081 −0.1148 0.057*
H23 0.3547 0.5251 −0.0429 0.057*
H24 0.2859 0.4245 −0.0687 0.057*
C54 0.4670 (2) 0.32888 (19) −0.12892 (10) 0.0328 (5)
H30 0.3922 0.2902 −0.1286 0.049*
H29 0.5325 0.2793 −0.1240 0.049*
H31 0.4754 0.3662 −0.1677 0.049*
C101 0.39426 (18) −0.10025 (16) 0.04186 (10) 0.0237 (4)
C102 0.3099 (2) −0.15159 (18) 0.07717 (11) 0.0309 (5)
H11 0.2940 −0.1273 0.1173 0.037*
C103 0.2487 (2) −0.2378 (2) 0.05445 (12) 0.0376 (5)
H12 0.1914 −0.2718 0.0792 0.045*
C104 0.2698 (2) −0.27463 (18) −0.00350 (12) 0.0355 (5)
H2 0.2257 −0.3321 −0.0194 0.043*
C105 0.3566 (2) −0.22658 (19) −0.03835 (12) 0.0349 (5)
H10 0.3742 −0.2533 −0.0777 0.042*
C106 0.4181 (2) −0.13967 (18) −0.01629 (11) 0.0305 (5)
H9 0.4765 −0.1070 −0.0409 0.037*
C151 0.76452 (18) 0.01846 (16) 0.29167 (9) 0.0224 (4)
C152 0.8858 (2) 0.00258 (18) 0.29672 (11) 0.0296 (5)
H22 0.9363 0.0245 0.2646 0.035*
C153 0.9336 (2) −0.04490 (17) 0.34815 (11) 0.0308 (5)
H21 1.0165 −0.0550 0.3509 0.037*
C154 0.8620 (2) −0.07733 (18) 0.39504 (10) 0.0303 (5)
H20 0.8952 −0.1086 0.4304 0.036*
C155 0.7411 (2) −0.0641 (3) 0.39028 (11) 0.0439 (7)
H19 0.6910 −0.0871 0.4223 0.053*
C156 0.6928 (2) −0.0172 (2) 0.33863 (10) 0.0376 (6)
H18 0.6097 −0.0095 0.3355 0.045*
C201 0.72236 (19) 0.54413 (16) 0.21163 (10) 0.0240 (4)
C202 0.6685 (2) 0.56983 (18) 0.26648 (10) 0.0315 (5)
H4 0.6079 0.5260 0.2823 0.038*
C203 0.7030 (3) 0.65957 (19) 0.29837 (11) 0.0376 (6)
H5 0.6658 0.6771 0.3358 0.045*
C204 0.7912 (3) 0.72280 (18) 0.27563 (12) 0.0394 (6)
H1 0.8155 0.7834 0.2977 0.047*
C205 0.8445 (2) 0.69838 (19) 0.22084 (13) 0.0379 (6)
H34 0.9050 0.7425 0.2052 0.045*
C206 0.8097 (2) 0.60957 (18) 0.18865 (11) 0.0309 (5)
H3 0.8459 0.5935 0.1507 0.037*
N1 0.58622 (15) 0.37541 (13) 0.08755 (7) 0.0195 (3)
H1A 0.5897 0.3078 0.0963 0.023*
N2 0.49590 (15) 0.18454 (13) 0.04146 (8) 0.0194 (3)
N3 0.58505 (15) 0.06048 (13) 0.14814 (7) 0.0206 (3)
H3A 0.5852 0.1276 0.1380 0.025*
N4 0.68278 (15) 0.25104 (13) 0.19218 (7) 0.0207 (3)