TITL sadbon in P2(1)/c
CELL 0.71073 7.9387 16.1296 7.7557 90 99.691 90
ZERR 2 0.0016 0.0032 0.0016 0 0.03 0
LATT 1
SYMM -X,0.5+Y,0.5-Z
SFAC C H Mn N O S
UNIT 28 40 2 4 24 4

L.S. 10
PLAN  5
TEMP -123
BOND$H 
CONF 
HTAB 
fmap 2
acta 
WGHT 0.0432 1.2108
FVAR 0.21597
REM <olex2.extras>
REM <HklSrc "%.\\water.hkl">
REM </olex2.extras>

Mn1   3     0.00000  0.50000  0.00000  10.50000  0.01226  0.01274  0.01342 =
 -0.00045  0.00098 -0.00116 
S1    6    -0.35457  0.44010 -0.28439  11.00000  0.01108  0.00992  0.01432 =
 -0.00071  0.00107 -0.00056 
C7    1    -0.44195  0.34269 -0.34708  11.00000  0.01311  0.01101  0.01479 =
 -0.00098  0.00291 -0.00158 
N2    4    -0.19149  0.40671 -0.14382  11.00000  0.01291  0.01195  0.01481 =
 -0.00046 -0.00026 -0.00059 
C6    1    -0.37224  0.19923 -0.28849  11.00000  0.01723  0.01261  0.01741 =
 0.00056  0.00345  0.00037 
AFIX 43
H6    2    -0.29877  0.15726 -0.23237  11.00000 -1.20000 
AFIX 0
C5    1    -0.52351  0.17886 -0.40200  11.00000  0.02075  0.01206  0.01890 =
 -0.00176  0.00388 -0.00432 
AFIX 43
H5    2    -0.55306  0.12219 -0.42211  11.00000 -1.20000 
AFIX 0
C4    1    -0.33306  0.28285 -0.26060  11.00000  0.01215  0.01373  0.01430 =
 -0.00046  0.00253 -0.00073 
C3    1    -0.18582  0.32210 -0.14053  11.00000  0.01380  0.01360  0.01314 =
 -0.00038  0.00279 -0.00068 
C2    1    -0.63142  0.24015 -0.48595  11.00000  0.01549  0.01797  0.01863 =
 -0.00105  0.00134 -0.00351 
AFIX 43
H2    2    -0.73363  0.22443 -0.56101  11.00000 -1.20000 
AFIX 0
C1    1    -0.59187  0.32420 -0.46163  11.00000  0.01358  0.01540  0.01755 =
 -0.00074  0.00054 -0.00039 
AFIX 43
H1    2    -0.66328  0.36637 -0.51998  11.00000 -1.20000 
AFIX 0
O2    5    -0.29357  0.48019 -0.43003  11.00000  0.01763  0.01530  0.01761 =
 0.00301  0.00258 -0.00144 
O3    5    -0.46876  0.48838 -0.19780  11.00000  0.01497  0.01519  0.02289 =
 -0.00449  0.00385  0.00141 
O1    5    -0.07247  0.28135 -0.04707  11.00000  0.01730  0.01464  0.01959 =
 0.00036 -0.00164  0.00135 
O4    5     0.09438  0.39909  0.17448  11.00000  0.01733  0.01621  0.01745 =
 -0.00067  0.00056 -0.00042 
AFIX 7
H4a   2     0.20507  0.39632  0.18479  11.00000 -1.50000 
H4b   2     0.04953  0.35267  0.13193  11.00000 -1.50000 
AFIX 0
O5    5     0.17414  0.46063 -0.18135  11.00000  0.01451  0.03205  0.02142 =
 -0.00754  0.00365 -0.00281 
AFIX 7
H5a   2     0.12229  0.42472 -0.25563  11.00000 -1.50000 
H5b   2     0.26535  0.43815 -0.12172  11.00000 -1.50000 
AFIX 0

AFIX 6
O10   5    -0.00178  0.11228  0.00465  11.00000  0.02042  0.01773  0.01952 =
 0.00112  0.00533  0.00242 
H10a  2     0.02664  0.10093 -0.09631  11.00000 -1.50000 
H10b  2    -0.03971  0.16291  0.00389  11.00000 -1.50000 
AFIX 0
HKLF 4

END
