TITL 2008lsh170 in P2(1)/c
CELL  0.71073  12.2837   9.4548   7.3046   90.000   99.932   90.000
ZERR     4.00   0.0004   0.0004   0.0003    0.000    0.002    0.000
LATT   1
SYMM  - X, 1/2 + Y, 1/2 - Z
SFAC  C    H    N    O
UNIT  36   44   4    4
MERG   2
OMIT    -3.00  55.00
DFIX 0.88 0.02 N1 H1N
FMAP   2
PLAN    5
ACTA
SIZE  0.26 0.08 0.04
EQIV $1  -x+2, y-1/2, -z+1/2
HTAB N1  O1_$1
HTAB
BOND   $H
L.S.   16
WGHT    0.046500    0.705700
FVAR       1.19988
C1    1    1.160003    0.566469    0.187601    11.00000    0.02866    0.02208 =
         0.01993   -0.00483    0.00336   -0.00120
C2    1    1.239090    0.466309    0.260397    11.00000    0.03312    0.02277 =
         0.02305    0.00081    0.00406    0.00092
AFIX  43
H2    2    1.219226    0.393317    0.333382    11.00000   -1.20000
AFIX   0
C3    1    1.346457    0.472944    0.226610    11.00000    0.03086    0.02821 =
         0.02478   -0.00280    0.00281    0.00253
C4    1    1.374986    0.583662    0.117449    11.00000    0.02801    0.03191 =
         0.02800   -0.00403    0.00513   -0.00225
AFIX  43
H4    2    1.446682    0.590185    0.093143    11.00000   -1.20000
AFIX   0
C5    1    1.296952    0.683806    0.045223    11.00000    0.03492    0.02647 =
         0.02517   -0.00031    0.00633   -0.00439
AFIX  43
H5    2    1.317186    0.757311   -0.026589    11.00000   -1.20000
AFIX   0
C6    1    1.189024    0.676434    0.078109    11.00000    0.03117    0.02202 =
         0.02278    0.00058    0.00227    0.00086
AFIX  43
H6    2    1.137031    0.743634    0.028006    11.00000   -1.20000
AFIX   0
C7    1    0.967483    0.639715    0.205720    11.00000    0.03011    0.02373 =
         0.01753   -0.00444    0.00212   -0.00093
C8    1    0.862620    0.586372    0.261657    11.00000    0.03095    0.02843 =
         0.02654   -0.00323    0.00424    0.00016
AFIX 137
H8A   2    0.843731    0.645222    0.358604    11.00000   -1.50000
H8B   2    0.873258    0.490890    0.305827    11.00000   -1.50000
H8C   2    0.803939    0.588955    0.156246    11.00000   -1.50000
AFIX   0
C9    1    1.430136    0.362641    0.305923    11.00000    0.03702    0.03835 =
         0.04474    0.00633    0.00633    0.00958
AFIX 137
H9A   2    1.446988    0.372689    0.438576    11.00000   -1.50000
H9B   2    1.496349    0.374921    0.254485    11.00000   -1.50000
H9C   2    1.400338    0.270098    0.275194    11.00000   -1.50000
AFIX   0
N1    3    1.052277    0.546219    0.227016    11.00000    0.02961    0.02102 =
         0.02324    0.00138    0.00452   -0.00055
O1    4    0.974499    0.760625    0.146716    11.00000    0.03644    0.02218 =
         0.03013    0.00179    0.00682    0.00294
H1N   2    1.038896    0.460109    0.265932    11.00000    0.03463
HKLF    4
 
REM  2008lsh170 in P2(1)/c
REM R1 =  0.0589 for   1540 Fo > 4sig(Fo)  and  0.0761 for all   1912 data
REM    106 parameters refined using      1 restraints
 
END
 
WGHT      0.0456      0.7087
REM Highest difference peak  0.277,  deepest hole -0.215,  1-sigma level  0.051
Q1    1   1.3989  0.2991  0.3874  11.00000  0.05    0.28
Q2    1   1.2419  0.6437  0.0448  11.00000  0.05    0.25
Q3    1   1.2031  0.5320  0.2515  11.00000  0.05    0.24
Q4    1   1.4474  0.3044  0.2110  11.00000  0.05    0.24
Q5    1   1.1623  0.5988  0.0853  11.00000  0.05    0.24