This structer was produced by RasMol,
and stucked by GifBuilder (Yves Piguet, 1997)

Paper: Conformational Change of Ascidiacyclamide Caused by Asymmetric Modification for An Isoleucine Residue: Structural Analyses of [Gly], [Leu] and [Phe]Ascidiacyclamides by X-Ray Diffraction and NMR Spectroscopy
Mitsunobu Doi, Fumiyoshi Shinozaki, Yasuko In, Toshimasa Ishida, Daisuke Yamamoto, Miyoko Kamigauchi, Makiko Sugiura, Yasumasa Hamada, Kohfuku Kohda, Takayuki Shioiri
Biopolymers 49, 459-469 (1999).

X-Ray Data Summary
space groupC2
Cell Crystal
a (Ang) 16.045(3) description plate
b (Ang) 13.0060(16)colour colorless
c (Ang) 12.7910(15)size (mm) 0.5x0.0.3x0.1
alpha (deg) 90.0 Dx (g/ml) 1.156
beta (deg)100.630(13)F(000) 976
gamma (deg) 90.0 mu(CuKa) 1.335
V (Ang^3) 2623.4(7)
Z 2
Refinement Diffrn measurement
Flack 0.01(5)device typeRigaku AFC5R/RU-200
parameters 301 decay ? %
restraints 18 index limit-18-h-18,0-k-14,0-L-14
R_factor_gt 0.0565theta (deg.) 3.52 - 62.07
wR_factor_gt 0.0565total reflections 2079
Delta rho_max0.048 reflections(obs) 1827 .gt. 2sigma(I)
Delta rho_min-0.066Structure
shift/su_max 0.158 solution MULTAN88
Goodness of fit0.503 refinement SHELXL-93

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Solution structures of constrained molecular dynamics based on NMR/NOE-distance parameters
You can get the coordinates, Dr.Jaspars.

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Date: Oct.1999