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. 2016 Mar 31;72(Pt 4):563–569. doi: 10.1107/S2056989016004722
x y z Uiso*/Ueq
O1 0.3153 (3) 0.69488 (10) 0.54542 (9) 0.0262 (4)
N1 0.5641 (4) 0.50248 (12) 0.70174 (11) 0.0233 (5)
N2 0.7432 (4) 0.49329 (13) 0.65250 (12) 0.0294 (5)
N3 0.6509 (4) 0.52816 (13) 0.59396 (11) 0.0279 (5)
N4 0.7655 (4) 1.01212 (13) 0.44279 (12) 0.0312 (5)
N5 1.2066 (4) 0.86108 (14) 0.33358 (13) 0.0342 (6)
C1 0.3561 (4) 0.54262 (15) 0.67500 (14) 0.0251 (6)
H1 0.2032 0.5564 0.6987 0.030*
C2 0.4125 (4) 0.55919 (14) 0.60643 (13) 0.0216 (5)
C3 0.6072 (5) 0.46954 (16) 0.77327 (14) 0.0282 (6)
H3A 0.5691 0.5162 0.8073 0.034*
H3B 0.7892 0.4537 0.7794 0.034*
C4 0.4444 (4) 0.39128 (15) 0.78895 (13) 0.0234 (5)
C5 0.4866 (4) 0.31288 (15) 0.75402 (14) 0.0294 (6)
H5 0.6186 0.3087 0.7206 0.035*
C6 0.3363 (5) 0.24131 (16) 0.76800 (15) 0.0330 (7)
H6 0.3662 0.1880 0.7444 0.040*
C7 0.1427 (5) 0.24702 (17) 0.81622 (15) 0.0329 (7)
H7 0.0388 0.1979 0.8254 0.040*
C8 0.1008 (5) 0.32439 (16) 0.85111 (14) 0.0312 (6)
H8 −0.0313 0.3282 0.8845 0.037*
C9 0.2511 (4) 0.39631 (16) 0.83744 (14) 0.0273 (6)
H9 0.2213 0.4494 0.8615 0.033*
C10 0.2539 (4) 0.60336 (14) 0.55118 (13) 0.0240 (6)
H10A 0.2818 0.5747 0.5054 0.029*
H10B 0.0714 0.5970 0.5626 0.029*
C11 0.5055 (4) 0.72062 (15) 0.50218 (13) 0.0224 (5)
C12 0.5349 (4) 0.81069 (15) 0.49807 (13) 0.0227 (5)
H12 0.4294 0.8480 0.5248 0.027*
C13 0.7180 (4) 0.84514 (14) 0.45502 (13) 0.0224 (5)
C14 0.8748 (4) 0.79094 (15) 0.41502 (13) 0.0227 (5)
C15 0.8425 (4) 0.70107 (15) 0.41989 (13) 0.0254 (6)
H15 0.9464 0.6635 0.3929 0.031*
C16 0.6609 (4) 0.66612 (15) 0.46354 (13) 0.0236 (5)
H16 0.6425 0.6049 0.4671 0.028*
C17 0.7433 (4) 0.93813 (16) 0.44910 (13) 0.0240 (6)
C18 1.0608 (4) 0.82840 (15) 0.36943 (14) 0.0256 (6)