REMA Input SHELXS/L INS file: fdopa.pdb                               
REMA Parameters were exchanged from INS file to PDB format at 15-MAY-98
REMA TITL F-DOPA C9H10NO4F P21/c Z=4
REMA CELL  1.5418 10.6262 7.4823 13.0649 90. 106.233 90.
REMA ZERR  4  .0031 .0029 .0035 .0 .021 .0
REMA LATT  1
REMA SYMM  -X,0.5+Y,0.5-Z
REMA SFAC  C H N O F
REMA UNIT  36 40 4 16 4
REMA WGHT     0.076600    0.369900
REMA FVAR       45.77328
REMA REM   F-DOPA C9H10NO4F P21/c Z=4
REMA REM     147 parameters refined using      0 restraints
REMA
ATOM      1  N1  FDP     1      6.3392  0.3960 10.6023  1.00  3.02
ATOM      2  H1N FDP     1      6.7002  0.9271 11.2947  1.00  5.11
ATOM      3  H2N FDP     1      7.2198  0.1871 10.2397  1.00  6.58
ATOM      4  H3N FDP     1      5.9538 -0.3255 10.9384  1.00  5.07
ATOM      5  C1A FDP     1      5.4351  1.2100  9.7456  1.00  2.53
ATOM      6  H1A FDP     1      4.6948  1.5546 10.2876  1.00  3.95
ATOM      7  C1B FDP     1      4.8758  0.3241  8.6191  1.00  3.04
ATOM      8 H1B1 FDP     1      5.5920  0.1121  8.0002  1.00  3.95
ATOM      9 H1B2 FDP     1      4.5593 -0.5092  9.0016  1.00  3.95
ATOM     10  C1G FDP     1      3.7545  0.9690  7.8629  1.00  2.64
ATOM     11 C1D1 FDP     1      3.9477  1.6816  6.6938  1.00  2.73
ATOM     12 C1E1 FDP     1      2.9459  2.2710  5.9772  1.00  2.75
ATOM     13 H1E1 FDP     1      3.1377  2.7309  5.1920  1.00  3.95
ATOM     14 C1E2 FDP     1      1.3915  1.4586  7.6038  1.00  2.49
ATOM     15  C1Z FDP     1      1.6408  2.1769  6.4318  1.00  2.59
ATOM     16 O1Z1 FDP     1      0.0785  1.3996  8.0075  1.00  3.23
ATOM     17 H1Z1 FDP     1      0.0032  0.7123  8.7482  1.00  5.18
ATOM     18 F1E3 FDP     1      5.2236  1.8007  6.2177  1.00  3.97
ATOM     19 C1D2 FDP     1      2.4297  0.8759  8.2964  1.00  2.67
ATOM     20 H1D2 FDP     1      2.2430  0.4058  9.0769  1.00  3.95
ATOM     21  O1H FDP     1      0.5717  2.7299  5.8061  1.00  3.51
ATOM     22  H1H FDP     1      0.8933  3.1845  4.9612  1.00  6.47
ATOM     23  C1  FDP     1      6.2238  2.3790  9.1603  1.00  2.45
ATOM     24  O1  FDP     1      7.4268  2.2080  8.9457  1.00  4.21
ATOM     25  O1T FDP     1      5.5634  3.4118  8.8883  1.00  3.06
ATOM     26  O1W FDP     1     -2.2964  1.4724  6.3172  1.00  4.78
ATOM     27  H1W FDP     1     -2.7097  1.6027  7.1790  1.00 10.17
ATOM     28  H2W FDP     1     -1.4969  1.2578  6.6233  1.00  6.67
END