TITL cfc1s in P1                 New: P21/c
CELL  1.54178    5.4215    5.0420   21.7840    90.000    98.447    90.000
ZERR  4           0.0006    0.0006    0.0030     0.000     0.008     0.000
LATT   1
SYMM             - X ,    0.50000 + Y ,    0.50000 - Z
SFAC  C  H  O
UNIT    28   20   8
TEMP  -173
L.S. 5
FMAP 2
PLAN -20
ACTA
BOND $H
CONF
WGHT   0.01000
FVAR       1.00000
O1    3   0.39930   1.35243   0.06532  11.00000   0.02450   0.04380 =
       0.06160  -0.00440   0.01080   0.00260
O10   3   0.71513   1.25413   0.01296  11.00000   0.04450   0.03810 =
       0.04620  -0.00260   0.01330   0.00040
C5    1   0.67146   1.00782   0.10388  11.00000   0.00510   0.06210 =
       0.04560  -0.00100  -0.00070  -0.01000
C8    1   0.62011   0.77470   0.19663  11.00000   0.01430   0.02330 =
       0.08770  -0.00100   0.00840   0.00220
AFIX  43
H8A   2   0.53092   0.74764   0.23051  11.00000  -1.20000
AFIX   0
C11   1   0.59266   1.22051   0.05689  11.00000   0.01670   0.04350 =
       0.02580  -0.00680   0.00320  -0.01420
C15   1   0.82441   0.62149   0.19069  11.00000   0.03280   0.04490 =
       0.05490  -0.00520   0.00500  -0.01870
AFIX  43
H15A  2   0.87682   0.48947   0.22088  11.00000  -1.20000
AFIX   0
C21   1   0.54509   0.96815   0.15325  11.00000   0.02420   0.03310 =
       0.05760  -0.00640   0.00720  -0.01900
AFIX  43
H21A  2   0.40505   1.07555   0.15763  11.00000  -1.20000
AFIX   0
C22   1   0.88347   0.85121   0.09795  11.00000   0.03010   0.02350 =
       0.05140  -0.00830   0.00580  -0.00390
AFIX  43
H22A  2   0.97500   0.87889   0.06456  11.00000  -1.20000
AFIX   0
C29   1   0.95402   0.65633   0.14175  11.00000   0.01300  -0.00020 =
       0.09580  -0.00280   0.01340   0.00280
AFIX  43
H29A  2   1.09272   0.54595   0.13786  11.00000  -1.20000
AFIX   0

HKLF 4 1  1.0000  0.0000  0.0000  0.0000 -1.0000  0.0000 -1.0000  0.0000 -1.0000


END 

