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. 2007 Dec 6;64(Pt 1):o69–o70. doi: 10.1107/S1600536807062381
x y z Uiso*/Ueq
O1 0.23459 (15) −0.18900 (7) 0.41351 (13) 0.0243 (4)
O2 0.03177 (16) −0.19106 (7) 0.25030 (14) 0.0306 (4)
H2 0.059 (2) −0.2395 (6) 0.241 (2) 0.046*
O3 0.45044 (15) −0.07193 (7) 0.43306 (13) 0.0222 (4)
O4 0.38326 (15) −0.05971 (7) 0.60719 (13) 0.0228 (3)
H4 0.4840 (12) −0.0655 (11) 0.6516 (18) 0.034*
O5 0.07842 (15) 0.17226 (7) 0.47794 (13) 0.0233 (4)
O6 −0.07866 (16) 0.17604 (7) 0.28878 (13) 0.0261 (4)
O7 −0.27358 (15) 0.09642 (7) 0.17213 (13) 0.0201 (3)
H7 −0.1913 (17) 0.1273 (9) 0.2101 (18) 0.030*
O8 −0.32512 (15) −0.01671 (7) 0.19026 (13) 0.0226 (3)
O9 0.22586 (15) 0.16081 (7) 0.01694 (14) 0.0246 (4)
O10 −0.00003 (15) 0.19454 (7) 0.02169 (13) 0.0226 (4)
H10 0.038 (2) 0.2382 (7) 0.004 (2) 0.034*
O11 −0.34327 (15) −0.06460 (7) −0.22544 (13) 0.0223 (3)
O12 −0.39830 (15) 0.00769 (8) −0.08721 (14) 0.0270 (4)
H12 −0.5011 (12) 0.0024 (12) −0.1315 (18) 0.041*
C1 0.0979 (2) −0.08162 (9) 0.34901 (17) 0.0127 (4)
C2 0.2037 (2) −0.03525 (10) 0.42177 (17) 0.0129 (4)
C3 0.1658 (2) 0.03604 (10) 0.43179 (17) 0.0136 (4)
H3 0.2361 0.0669 0.4851 0.016*
C4 0.0279 (2) 0.06330 (9) 0.36590 (17) 0.0134 (4)
C5 −0.0786 (2) 0.01648 (10) 0.29062 (17) 0.0137 (4)
C6 −0.0402 (2) −0.05506 (10) 0.28629 (17) 0.0137 (4)
H6 −0.1123 −0.0870 0.2379 0.016*
C7 0.1305 (2) −0.15936 (10) 0.34274 (18) 0.0158 (5)
C8 0.3601 (2) −0.05876 (10) 0.48645 (19) 0.0160 (5)
C9 0.0077 (2) 0.14282 (10) 0.38080 (19) 0.0161 (4)
C10 −0.2354 (2) 0.03281 (10) 0.21461 (18) 0.0157 (4)
C11 0.1018 (2) 0.14644 (10) 0.01977 (17) 0.0142 (4)
C12 0.0487 (2) 0.07093 (10) 0.01737 (17) 0.0123 (4)
C13 −0.0993 (2) 0.05489 (10) −0.04131 (17) 0.0132 (4)
H13 −0.1680 0.0928 −0.0691 0.016*
C14 −0.1490 (2) −0.01526 (10) −0.06025 (17) 0.0123 (4)
C15 −0.3083 (2) −0.02798 (10) −0.13252 (18) 0.0141 (4)
N1 0.46132 (18) 0.23095 (8) 0.82066 (15) 0.0209 (4)
C16 0.5398 (3) 0.17774 (12) 0.9150 (2) 0.0412 (7)
H16A 0.6108 0.2024 0.9837 0.062*
H16B 0.5929 0.1438 0.8775 0.062*
H16C 0.4675 0.1520 0.9459 0.062*
C17 0.5693 (3) 0.27012 (13) 0.7714 (2) 0.0380 (6)
H17A 0.5170 0.3070 0.7135 0.057*
H17B 0.6169 0.2366 0.7284 0.057*
H17C 0.6449 0.2925 0.8398 0.057*
C18 0.3829 (3) 0.28289 (12) 0.8791 (2) 0.0363 (6)
H18A 0.3321 0.3185 0.8178 0.054*
H18B 0.4551 0.3068 0.9480 0.054*
H18C 0.3101 0.2576 0.9100 0.054*
C19 0.3527 (3) 0.19388 (13) 0.7173 (2) 0.0407 (7)
H19A 0.2768 0.1710 0.7480 0.061*
H19B 0.4039 0.1576 0.6827 0.061*
H19C 0.3054 0.2286 0.6531 0.061*