REMA Input SHELXS/L INS file: casn.pdb                                
REMA Parameters were exchanged from INS file to PDB format at 28-SEP-99
REMA TITL CASN: C11H15N5O5,H2O P212121 Z=4 SPring8 data at -20deg
REMA CELL  0.834 17.9558  22.8603 4.9591 90.0 90.0 90.0
REMA ZERR    4    0.0016   0.0019 0.0002  0.0  0.0  0.0
REMA LATT  -1
REMA SYMM  0.5-X,-Y,0.5+Z
REMA SYMM  -X,0.5+Y,0.5-Z
REMA SYMM  0.5+X,0.5-Y,-Z
REMA SFAC  C  H  N  O
REMA UNIT  44 68 20 24
REMA WGHT     0.179000
REMA FVAR        5.25353   0.39173
REMA REM  H1W   2   10.557000   10.166400   10.547000   -21.00000   -1.20000
REMA REM   CASN: C11H15N5O5,H2O P212121 Z=4 SPring8 data at -20deg
REMA REM     210 parameters refined using      0 restraints
REMA
CRYST1   17.956   22.860    4.959  90.00  90.00  90.00 P 1           4
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      0.055692  0.000000  0.000000        0.00000
SCALE2      0.000000  0.043744  0.000000        0.00000
SCALE3      0.000000  0.000000  0.201650        0.00000
ATOM      1  N1  AAA     1       6.222   4.070   2.597  1.00  5.21
ATOM      2  C2  AAA     1       5.245   4.321   3.551  1.00  4.87
ATOM      3  O2  AAA     1       4.734   5.419   3.699  1.00  6.43
ATOM      4  N3  AAA     1       4.902   3.240   4.344  1.00  5.03
ATOM      5  H3  AAA     1       4.297   3.357   4.944  1.00  3.95
ATOM      6  C4  AAA     1       5.462   2.000   4.235  1.00  4.85
ATOM      7  N4  AAA     1       5.042   1.074   5.062  1.00  5.36
ATOM      8  H4A AAA     1       4.437   1.259   5.644  1.00  3.95
ATOM      9  H4B AAA     1       5.373   0.281   5.022  1.00  3.95
ATOM     10  C5  AAA     1       6.452   1.800   3.264  1.00  5.39
ATOM     11  H5  AAA     1       6.856   0.969   3.157  1.00  3.95
ATOM     12  C6  AAA     1       6.802   2.848   2.492  1.00  5.49
ATOM     13  H6  AAA     1       7.472   2.727   1.858  1.00  3.95
ATOM     14  C7  AAA     1       6.754   5.202   1.824  1.00  5.68
ATOM     15  H7A AAA     1       6.031   5.799   1.574  1.00  3.95
ATOM     16  H7B AAA     1       7.174   4.877   1.012  1.00  3.95
ATOM     17  C8  AAA     1       7.775   5.952   2.672  1.00  8.14
ATOM     18  H8A AAA     1       7.307   6.464   3.350  1.00  3.95
ATOM     19  H8B AAA     1       8.341   5.308   3.127  1.00  3.95
ATOM     20  C9  AAA     1       8.650   6.889   1.862  1.00  5.71
ATOM     21  O9  AAA     1       8.680   6.861   0.626  1.00  6.89
ATOM     22  N10 AAA     1       9.417   7.678   2.594  1.00  5.28
ATOM     23  H10 AAA     1       9.293   7.720   3.444  1.00  3.95
ATOM     24  C10 AAA     1      10.468   8.474   1.981  1.00  4.88
ATOM     25  H1A AAA     1      10.880   7.910   1.294  1.00  3.95
ATOM     26  C11 AAA     1       9.951   9.722   1.265  1.00  5.83
ATOM     27  H1A AAA     1      10.672  10.086   0.728  1.00  3.95
ATOM     28  H1B AAA     1       9.244   9.453   0.658  1.00  3.95
ATOM     29  C12 AAA     1       9.433  10.795   2.133  1.00  5.72
ATOM     30  N13 AAA     1       9.472  11.970   1.525  1.00  6.99
ATOM     31  H3A AAA     1       9.223  12.679   1.943  1.00  3.95
ATOM     32  H3B AAA     1       9.747  12.025   0.712  1.00  3.95
ATOM     33  O14 AAA     1       9.061  10.662   3.259  1.00  8.09
ATOM     34  C15 AAA     1      11.558   8.772   3.009  1.00  4.70
ATOM     35  O15 AAA     1      11.775   7.934   3.894  1.00  5.82
ATOM     36  O16 AAA     1      12.205   9.849   2.873  1.00  6.12
ATOM     37  O1W AAA     1       8.759  14.309   2.403  1.00  9.56
ATOM     38  H1W AAA     1       7.942  15.218   2.703  1.00  3.95
ATOM     39  H2W AAA     1       8.222  14.082   3.148  1.00  3.95
ATOM     40  O2W AAA     1       7.055  14.960   3.713 11.00  6.91
ATOM     41  H3W AAA     1       6.164  15.952   3.923 11.00  3.95
ATOM     42  H4W AAA     1       7.085  13.625   4.192 11.00  3.95
END