TITL SUCROSE IN P2(1)
CELL 0.71073 7.783 8.7364 10.9002 90 102.984 90
ZERR 2 0.001 0.0012 0.0015 0 0.009 0
LATT -1
SYMM -X,0.5+Y,-Z
SFAC C H O 
UNIT 24 44 22
L.S. 4
PLAN 20
BOND 
FMAP 2
WGHT 0.0337 0.571 
FVAR 0.8487 

O1    3    -0.13169  0.93544  0.87718  11.00000  0.02363  0.01763  0.01998 =
    -0.00032  0.00900 -0.00114 
O2    3    -0.21409  0.78811  1.08113  11.00000  0.04651  0.03237  0.02472 =
    0.00471  0.01423  0.00697 
AFIX 147
H2    2    -0.22711  0.87675  1.10207  11.00000 -1.50000 
AFIX 0
O3    3    -0.14510  0.52022  0.84837  11.00000  0.04947  0.01831  0.06622 =
    -0.00863  0.02444 -0.00987 
AFIX 147
H3    2    -0.07336  0.45411  0.84091  11.00000 -1.50000 
AFIX 0
O4    3     0.20245  0.58669  0.80895  11.00000  0.04879  0.02688  0.03556 =
    0.01029  0.02064  0.01945 
AFIX 147
H4    2     0.23454  0.56970  0.74356  11.00000 -1.50000 
AFIX 0
O5    3     0.24769  0.89772  0.72915  11.00000  0.02178  0.02945  0.03050 =
    0.00011  0.00852 -0.00125 
AFIX 147
H5    2     0.32394  0.95770  0.76449  11.00000 -1.50000 
AFIX 0
O6    3    -0.18368  1.23949  0.71225  11.00000  0.01381  0.02057  0.02343 =
    -0.00526  0.00016  0.00233 
O7    3    -0.46094  1.09543  0.82673  11.00000  0.02613  0.03344  0.03726 =
    0.00848  0.00831  0.00190 
AFIX 147
H7    2    -0.36060  1.06136  0.84907  11.00000 -1.50000 
AFIX 0
O8    3    -0.59010  1.23486  0.47750  11.00000  0.01961  0.02866  0.03190 =
    0.00469 -0.00179  0.00360 
AFIX 147
H8    2    -0.59618  1.32610  0.49367  11.00000 -1.50000 
AFIX 0
O9    3    -0.29497  1.01603  0.42551  11.00000  0.02926  0.02031  0.02157 =
    -0.00467  0.00449 -0.00205 
AFIX 147
H9    2    -0.30567  0.93720  0.46394  11.00000 -1.50000 
AFIX 0
O10   3     0.12123  1.09888  0.52956  11.00000  0.02460  0.03374  0.02980 =
    0.00562  0.01204  0.00244 
AFIX 147
H10   2     0.16430  1.02618  0.57343  11.00000 -1.50000 
AFIX 0
O11   3    -0.10854  0.98696  0.67141  11.00000  0.01729  0.01218  0.01919 =
    0.00028  0.00225 -0.00121 
C1    1    -0.20570  0.78209  0.85943  11.00000  0.02176  0.01902  0.02381 =
    0.00063  0.00160 -0.00306 
AFIX 13
H1    2    -0.28203  0.77375  0.77495  11.00000 -1.50000 
AFIX 0
C2    1    -0.31562  0.76302  0.95687  11.00000  0.02752  0.02952  0.03027 =
    0.00786  0.00930  0.00039 
AFIX 23
H2A   2    -0.41305  0.83491  0.93933  11.00000 -1.50000 
H2B   2    -0.36443  0.66042  0.95104  11.00000 -1.50000 
AFIX 0
C3    1    -0.05768  0.66343  0.87428  11.00000  0.02766  0.01553  0.02379 =
    -0.00241  0.00781 -0.00260 
AFIX 13
H3B   2     0.01086  0.66420  0.96149  11.00000 -1.50000 
AFIX 0
C4    1     0.06449  0.69793  0.78579  11.00000  0.02968  0.01919  0.01933 =
    0.00056  0.00529  0.00715 
AFIX 13
H4B   2    -0.00164  0.69059  0.69816  11.00000 -1.50000 
AFIX 0
C5    1     0.13455  0.85902  0.81271  11.00000  0.01988  0.02433  0.01283 =
    0.00319  0.00218  0.00104 
AFIX 13
H5B   2     0.20485  0.86243  0.89937  11.00000 -1.50000 
AFIX 0
C6    1    -0.01400  0.97552  0.80024  11.00000  0.01846  0.01481  0.01410 =
    -0.00060  0.00296 -0.00207 
AFIX 13
H6    2     0.03762  1.07565  0.82731  11.00000 -1.50000 
AFIX 0
C7    1    -0.13021  1.14164  0.62414  11.00000  0.01798  0.01090  0.02077 =
    -0.00011  0.00359 -0.00003 
C8    1     0.04331  1.20306  0.60329  11.00000  0.02035  0.02055  0.02785 =
    0.00224  0.00685 -0.00133 
AFIX 23
H8A   2     0.02332  1.30096  0.56048  11.00000 -1.50000 
H8B   2     0.12397  1.21926  0.68406  11.00000 -1.50000 
AFIX 0
C9    1    -0.28545  1.14304  0.50736  11.00000  0.01692  0.01551  0.02039 =
    0.00390  0.00502  0.00059 
AFIX 13
H9B   2    -0.27308  1.23504  0.45863  11.00000 -1.50000 
AFIX 0
C10   1    -0.44463  1.16703  0.56515  11.00000  0.01663  0.01785  0.02372 =
    0.00373  0.00287  0.00119 
AFIX 13
H10B  2    -0.48082  1.06920  0.59541  11.00000 -1.50000 
AFIX 0
C11   1    -0.37200  1.27263  0.67681  11.00000  0.01864  0.01522  0.02982 =
    0.00085  0.00716  0.00355 
AFIX 13
H11   2    -0.38814  1.37913  0.64832  11.00000 -1.50000 
AFIX 0
C12   1    -0.45328  1.25216  0.78868  11.00000  0.02279  0.03221  0.02965 =
    -0.00570  0.01004  0.00285 
AFIX 23
H12A  2    -0.38549  1.31042  0.85883  11.00000 -1.50000 
H12B  2    -0.57188  1.29369  0.76846  11.00000 -1.50000 
HKLF 4 1 1 0 0 0 1 0 0 0 1
END

REM SUCROSE IN P2(1)
REM R1 = 0.0511 for 2366 Fo > 4sig(Fo) and 0.0690 for all 2803 data
REM 216 parameters refined using 1 restraints
REM Highest difference peak 0.325, deepest hole -0.317, 1-sigma level 0.066
