TITL 2008lsh053 in C2/c
CELL  0.71073  27.0970   4.5781   9.9007   90.000   96.281   90.000
ZERR     4.00   0.0055   0.0007   0.0019    0.000    0.008    0.000
LATT   7
SYMM  - X,   Y, 1/2 - Z
SFAC  C    H    N    O    CL
UNIT  52   40   8    4    8
MERG   2
OMIT    -3.00  55.00
FMAP   2
PLAN    5
ACTA
SIZE 0.3 0.12 0.01
EQIV $1 x, y+1, z
HTAB  N1 O1_$1
HTAB
BOND   $H
DFIX 0.88 0.02 N1 H1N
L.S.   6
TEMP  -153.00
WGHT    0.049200    8.136200
FVAR       0.35688
C1    1    0.076826    0.391362    0.904069    11.00000    0.03002    0.02440 =
         0.03186   -0.00241    0.00166   -0.00115
C2    1    0.068986    0.185072    1.001619    11.00000    0.03105    0.02712 =
         0.03707   -0.00160    0.00407   -0.00261
AFIX  43
H2    2    0.036063    0.127563    1.013616    11.00000   -1.20000
AFIX   0
C3    1    0.108606    0.061480    1.081973    11.00000    0.03841    0.02873 =
         0.03419    0.00247    0.00366   -0.00337
AFIX  43
H3    2    0.103275   -0.084563    1.146982    11.00000   -1.20000
AFIX   0
C4    1    0.156450    0.156019    1.065378    11.00000    0.03323    0.02869 =
         0.02825   -0.00079   -0.00310   -0.00061
C5    1    0.164688    0.364817    0.970276    11.00000    0.02857    0.03565 =
         0.03724   -0.00112    0.00276   -0.00413
AFIX  43
H5    2    0.197521    0.427480    0.960376    11.00000   -1.20000
AFIX   0
C6    1    0.124694    0.482882    0.889084    11.00000    0.03583    0.02858 =
         0.03532    0.00397    0.00205   -0.00268
AFIX  43
H6    2    0.130097    0.626674    0.823100    11.00000   -1.20000
AFIX   0
C7    1    0.000000    0.358491    0.750000    10.50000    0.03154    0.02141 =
         0.03685    0.00000    0.00325    0.00000
N1    3    0.036122    0.518436    0.822160    11.00000    0.03356    0.01825 =
         0.04292   -0.00020   -0.00258   -0.00125
O1    4    0.000000    0.089355    0.750000    10.50000    0.03640    0.01966 =
         0.03898    0.00000   -0.00521    0.00000
CL1   5    0.206567    0.005908    1.167647    11.00000    0.03618    0.04322 =
         0.04352    0.00653   -0.00618    0.00210
H1N   2    0.036602    0.705770    0.805598    11.00000    0.05045
HKLF    4
 
REM  2008lsh053 in C2/c
REM R1 =  0.0714 for   1061 Fo > 4sig(Fo)  and  0.0969 for all   1391 data
REM     87 parameters refined using      1 restraints
 
END
 
WGHT      0.0491      8.0684
REM Highest difference peak  0.397,  deepest hole -0.370,  1-sigma level  0.089
Q1    1   0.1825  0.0153  1.2439  11.00000  0.05    0.40
Q2    1   0.2289 -0.0078  1.0914  11.00000  0.05    0.36
Q3    1   0.2564  0.0764  1.1630  11.00000  0.05    0.32
Q4    1   0.0389  0.1538  1.1235  11.00000  0.05    0.32
Q5    1   0.1521 -0.0040  1.1668  11.00000  0.05    0.32