REMA Input SHELXS/L INS file: ugly.pdb                                
REMA Parameters were exchanged from INS file to PDB format at  5-MAR-99
REMA TITL U-Gly: C9H11N3O5 C2/m Z=8 from water&MeOH at -10 degC
REMA CELL  1.5418 25.5512 5.0472 18.1802 90. 119.277 90.
REMA ZERR  8        .0058  .0013   .0040   .0   .012   .0
REMA LATT  7
REMA REM   C2/c
REMA SYMM   X,-Y,0.5+Z
REMA SFAC  C H N O
REMA UNIT  72 88 24 40
REMA WGHT     0.056800    2.682300
REMA FVAR        2.85469
REMA REM   U-Gly: C9H11N3O5 C2/m Z=8 from water&MeOH at -10 degC
REMA REM     155 parameters refined using      0 restraints
REMA
CRYST1   25.551    5.047   18.180  90.00 119.28  90.00 P 1           8
ORIGX1      1.000000  0.000000  0.000000        0.00000
ORIGX2      0.000000  1.000000  0.000000        0.00000
ORIGX3      0.000000  0.000000  1.000000        0.00000
SCALE1      0.039137  0.000000  0.021942        0.00000
SCALE2      0.000000  0.198130  0.000000        0.00000
SCALE3      0.000000  0.000000  0.063060        0.00000
ATOM      1  N1  AAA     1       1.458   2.972   2.306  1.00  2.35
ATOM      2  C2  AAA     1       0.890   3.825   1.398  1.00  2.36
ATOM      3  O2  AAA     1       1.517   4.705   0.821  1.00  3.36
ATOM      4  N3  AAA     1      -0.458   3.628   1.165  1.00  2.38
ATOM      5  H3  AAA     1      -0.838   4.163   0.608  1.00  3.95
ATOM      6  C4  AAA     1      -1.251   2.659   1.736  1.00  2.40
ATOM      7  O4  AAA     1      -2.433   2.580   1.399  1.00  3.24
ATOM      8  C5  AAA     1      -0.585   1.813   2.677  1.00  2.81
ATOM      9  H5  AAA     1      -1.054   1.141   3.116  1.00  3.95
ATOM     10  C6  AAA     1       0.723   1.996   2.921  1.00  2.59
ATOM     11  H6  AAA     1       1.146   1.438   3.533  1.00  3.95
ATOM     12  C7  AAA     1       2.897   3.102   2.624  1.00  2.67
ATOM     13  H7A AAA     1       3.042   2.865   3.554  1.00  3.95
ATOM     14  H7B AAA     1       3.170   4.025   2.504  1.00  3.95
ATOM     15  C8  AAA     1       3.738   2.220   1.752  1.00  2.71
ATOM     16  H8A AAA     1       3.641   2.494   0.827  1.00  3.95
ATOM     17  H8B AAA     1       3.429   1.303   1.828  1.00  3.95
ATOM     18  C9  AAA     1       5.201   2.293   2.149  1.00  2.21
ATOM     19  O9  AAA     1       5.631   3.165   2.891  1.00  3.27
ATOM     20  N10 AAA     1       5.989   1.344   1.642  1.00  2.55
ATOM     21  H10 AAA     1       5.660   0.740   1.125  1.00  3.95
ATOM     22  C10 AAA     1       7.400   1.334   1.964  1.00  2.95
ATOM     23 H10A AAA     1       7.804   0.532   1.596  1.00  3.95
ATOM     24 H10B AAA     1       7.505   1.305   2.927  1.00  3.95
ATOM     25  C11 AAA     1       8.123   2.541   1.425  1.00  2.54
ATOM     26  O10 AAA     1       7.888   3.053   0.357  1.00  3.43
ATOM     27  O11 AAA     1       9.069   2.973   2.235  1.00  3.24
ATOM     28  H11 AAA     1       9.583   3.747   1.857  1.00  3.95
END