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. 2018 Nov 30;74(Pt 12):1913–1918. doi: 10.1107/S2056989018016651
x y z Uiso*/Ueq
O1 −0.02423 (18) 0.88980 (13) 0.62308 (14) 0.0800 (6)
N1 0.58139 (18) 0.64812 (11) 0.72686 (14) 0.0385 (4)
H1A 0.560 (2) 0.6854 (13) 0.7736 (17) 0.045 (6)*
N2 0.71475 (16) 0.66024 (10) 0.55928 (13) 0.0381 (4)
N3 0.55442 (18) 0.72815 (11) 0.43982 (13) 0.0417 (4)
C1 0.8497 (2) 0.62484 (14) 0.59167 (19) 0.0480 (6)
C2 0.9389 (2) 0.60796 (16) 0.5092 (2) 0.0618 (7)
H2 1.028199 0.582474 0.528113 0.074*
C3 0.9016 (3) 0.62747 (17) 0.3962 (2) 0.0633 (7)
H3 0.963493 0.611842 0.341717 0.076*
C4 0.7768 (2) 0.66868 (14) 0.36672 (18) 0.0524 (6)
H4 0.754319 0.684394 0.292687 0.063*
C5 0.6809 (2) 0.68762 (13) 0.44948 (16) 0.0401 (5)
C6 0.5944 (2) 0.68161 (12) 0.61971 (15) 0.0345 (5)
C7 0.5016 (2) 0.72552 (12) 0.54407 (15) 0.0361 (5)
C8 0.3630 (2) 0.76695 (12) 0.56396 (15) 0.0367 (5)
C9 0.2546 (2) 0.77465 (15) 0.47894 (17) 0.0516 (6)
H9 0.270036 0.752223 0.408881 0.062*
C10 0.1244 (2) 0.81454 (16) 0.49472 (18) 0.0574 (6)
H10 0.053459 0.818460 0.435930 0.069*
C11 0.0997 (2) 0.84844 (15) 0.59730 (18) 0.0512 (6)
C12 0.2067 (2) 0.84190 (15) 0.68339 (18) 0.0540 (6)
H12 0.190965 0.864567 0.753249 0.065*
C13 0.3361 (2) 0.80227 (14) 0.66681 (17) 0.0463 (5)
H13 0.407187 0.799021 0.725600 0.056*
C14 −0.1377 (3) 0.8996 (2) 0.5385 (2) 0.0848 (9)
H14A −0.170048 0.844251 0.512568 0.127*
H14B −0.102994 0.931447 0.477349 0.127*
H14C −0.217011 0.929636 0.568295 0.127*
C15 0.8957 (3) 0.61354 (19) 0.7129 (2) 0.0712 (8)
H15A 0.992141 0.590353 0.720247 0.107*
H15B 0.830116 0.575101 0.746182 0.107*
H15C 0.894405 0.667913 0.749953 0.107*
C16 0.4969 (2) 0.56772 (13) 0.73775 (17) 0.0478 (5)
C17 0.3348 (3) 0.58040 (18) 0.7103 (3) 0.0830 (9)
H17A 0.318020 0.596991 0.633344 0.124*
H17B 0.299696 0.624313 0.757429 0.124*
H17C 0.284589 0.527895 0.722769 0.124*
C18 0.5237 (3) 0.53949 (16) 0.85894 (19) 0.0676 (7)
H18A 0.491235 0.583342 0.907398 0.101*
H18B 0.625574 0.529685 0.875337 0.101*
H18C 0.471174 0.487645 0.870558 0.101*
C19 0.5532 (3) 0.50019 (15) 0.6600 (2) 0.0712 (8)
H19A 0.654518 0.490342 0.679215 0.107*
H19B 0.540247 0.519762 0.584077 0.107*
H19C 0.500409 0.447913 0.667862 0.107*