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. 2010 Oct 23;66(Pt 11):o2901. doi: 10.1107/S1600536810042121
x y z Uiso*/Ueq
O5 0.86754 (12) 0.0739 (3) 0.46156 (9) 0.0764 (6)
N1 0.96224 (16) 0.4666 (4) 0.58368 (10) 0.0631 (6)
N2 0.96359 (15) 0.2825 (4) 0.54321 (10) 0.0679 (6)
H2 1.0196 0.1938 0.5466 0.082*
N3 0.79610 (14) 0.4095 (4) 0.49611 (9) 0.0668 (6)
H3 0.8087 0.5299 0.5212 0.080*
N4 0.69764 (15) 0.3902 (4) 0.45574 (9) 0.0596 (6)
C1 0.87369 (18) 0.2428 (5) 0.49730 (13) 0.0614 (7)
C2 0.63193 (18) 0.5649 (4) 0.45685 (10) 0.0542 (6)
C3 0.65842 (18) 0.7846 (5) 0.49701 (13) 0.0795 (8)
H3A 0.6503 0.7461 0.5368 0.119*
H3B 0.6111 0.9157 0.4800 0.119*
H3C 0.7309 0.8329 0.5000 0.119*
C4 0.52443 (18) 0.5423 (5) 0.41536 (11) 0.0551 (6)
C5 0.4445 (2) 0.7041 (6) 0.41690 (14) 0.0928 (10)
H5 0.4592 0.8337 0.4442 0.111*
C6 0.3434 (2) 0.6811 (7) 0.37943 (17) 0.1109 (12)
H6 0.2909 0.7936 0.3818 0.133*
C7 0.3200 (2) 0.4948 (7) 0.33899 (14) 0.0934 (10)
H7 0.2518 0.4792 0.3133 0.112*
C8 0.3977 (2) 0.3314 (6) 0.33648 (14) 0.1002 (11)
H8 0.3828 0.2028 0.3089 0.120*
C9 0.4984 (2) 0.3561 (6) 0.37467 (13) 0.0836 (9)
H9 0.5503 0.2416 0.3726 0.100*
C10 1.04459 (19) 0.5073 (5) 0.62766 (12) 0.0618 (7)
C11 1.14821 (18) 0.3686 (5) 0.63824 (12) 0.0783 (8)
H11A 1.1447 0.2260 0.6622 0.117*
H11B 1.2060 0.4706 0.6595 0.117*
H11C 1.1600 0.3207 0.5998 0.117*
C12 1.03396 (18) 0.7066 (5) 0.66970 (11) 0.0613 (7)
C13 0.9504 (2) 0.8704 (6) 0.65627 (13) 0.0774 (8)
H13 0.8986 0.8551 0.6197 0.093*
C14 0.9416 (2) 1.0546 (6) 0.69527 (16) 0.0880 (9)
H14 0.8835 1.1601 0.6853 0.106*
C15 1.0179 (3) 1.0851 (6) 0.74911 (15) 0.0845 (9)
H15 1.0131 1.2126 0.7753 0.101*
C16 1.1002 (2) 0.9256 (7) 0.76324 (14) 0.0906 (10)
H16 1.1521 0.9426 0.7998 0.109*
C17 1.1083 (2) 0.7385 (6) 0.72431 (14) 0.0815 (9)
H17 1.1655 0.6309 0.7352 0.098*