TITL bilm001_a.res in P2(1)2(1)2(1)
REM Old TITL bilm001 in P2(1)2(1)2(1)
REM SHELXT solution in P2(1)2(1)2(1)
REM R1 0.106, Rweak 0.021, Alpha 0.001, Orientation as input
REM Flack x = 0.164 ( 0.087 ) from Parsons' quotients
REM Formula found by SHELXT: C17 O2
CELL 1.54178 6.9787 12.4957 16.133 90 90 90
ZERR 4 0.0004 0.0008 0.0011 0 0 0
LATT -1
SYMM 0.5-X,-Y,0.5+Z
SYMM -X,0.5+Y,0.5-Z
SYMM 0.5+X,0.5-Y,-Z
SFAC C H N O
UNIT 72 76 4 4

L.S. 20
PLAN  20
SIZE 0.059 0.08 0.214
TEMP -153.16
CONF
BOND $H
LIST 6
MORE -1
fmap 2
acta 
OMIT 1 1 1
OMIT -1 -2 -3
OMIT 0 2 0
WGHT 0.0374 0.2309
FVAR 0.27295
REM <olex2.extras>
REM <HklSrc "%./bilm001.hkl">
REM </olex2.extras>

O1    4     0.62182  0.32365  0.60906  11.00000  0.02786  0.02112  0.03473 =
 0.00458  0.00217  0.00443 
N1    3     0.64669  0.42608  0.49363  11.00000  0.02212  0.02011  0.02525 =
 -0.00196  0.00109  0.00332 
C1    1     0.59028  0.40883  0.57403  11.00000  0.01624  0.02006  0.02673 =
 -0.00080 -0.00274 -0.00039 
C2    1     0.49672  0.50285  0.61794  11.00000  0.01792  0.01916  0.02076 =
 0.00101 -0.00125 -0.00117 
C3    1     0.36308  0.56133  0.55752  11.00000  0.02082  0.02091  0.02020 =
 -0.00014 -0.00142  0.00408 
H3    2     0.31483  0.62441  0.58671  11.00000  0.01886 
C4    1     0.47484  0.59495  0.48258  11.00000  0.02047  0.02341  0.01986 =
 -0.00052 -0.00323  0.00105 
C5    1     0.44105  0.69103  0.44145  11.00000  0.02806  0.02618  0.02357 =
 0.00058 -0.00247  0.00471 
H5    2     0.34427  0.73935  0.46372  11.00000  0.02541 
C6    1     0.54051  0.71678  0.36943  11.00000  0.02962  0.02715  0.02485 =
 0.00392 -0.00579 -0.00084 
H6    2     0.51589  0.78460  0.34141  11.00000  0.03632 
C7    1     0.67696  0.64652  0.33910  11.00000  0.02510  0.03204  0.02124 =
 0.00045 -0.00007 -0.00476 
H7    2     0.74591  0.65828  0.28812  11.00000  0.02296 
C8    1     0.71647  0.55105  0.38035  11.00000  0.02158  0.02678  0.02438 =
 -0.00394 -0.00035 -0.00007 
H8    2     0.81475  0.50197  0.35981  11.00000  0.03317 
C9    1     0.61457  0.52479  0.45199  11.00000  0.02100  0.02133  0.02102 =
 -0.00283 -0.00351 -0.00177 
C10   1     0.65302  0.57734  0.65416  11.00000  0.02262  0.02212  0.02425 =
 0.00248 -0.00263 -0.00432 
H10a  2     0.71657  0.62111  0.61237  11.00000  0.03099 
H10b  2     0.75693  0.53063  0.67850  11.00000  0.02239 
C11   1     0.54703  0.64248  0.72038  11.00000  0.03236  0.02281  0.02409 =
 -0.00140 -0.00386 -0.00347 
H11a  2     0.63325  0.66427  0.76794  11.00000  0.02960 
H11b  2     0.49177  0.70924  0.69457  11.00000  0.02846 
C12   1     0.38357  0.57097  0.74835  11.00000  0.03048  0.02279  0.01971 =
 0.00114 -0.00591 -0.00101 
C13   1     0.38570  0.46926  0.69571  11.00000  0.02362  0.02001  0.02040 =
 0.00132  0.00133  0.00088 
H13   2     0.46253  0.41572  0.72452  11.00000  0.02336 
C14   1     0.19173  0.42239  0.67785  11.00000  0.02344  0.02370  0.02840 =
 -0.00240  0.00675 -0.00259 
H14   2     0.12792  0.38322  0.72369  11.00000  0.03669 
C15   1     0.10744  0.43072  0.60493  11.00000  0.01784  0.03085  0.03206 =
 -0.00716  0.00302 -0.00155 
H15   2    -0.02038  0.39593  0.59552  11.00000  0.03898 
C16   1     0.19262  0.48954  0.53281  11.00000  0.01990  0.03287  0.02552 =
 -0.00194 -0.00315 -0.00007 
H16a  2     0.23363  0.43714  0.48999  11.00000  0.02548 
H16b  2     0.09563  0.53681  0.50614  11.00000  0.04029 
C17   1     0.74394  0.33918  0.44919  11.00000  0.03656  0.02382  0.03111 =
 -0.00377  0.00490  0.00677 
H17a  2     0.87672  0.35732  0.43633  11.00000  0.03843 
H17b  2     0.73941  0.27661  0.48316  11.00000  0.04139 
H17c  2     0.67795  0.32608  0.39570  11.00000  0.04678 
C18   1     0.25610  0.59347  0.80657  11.00000  0.04494  0.03262  0.02626 =
 -0.00662  0.00518 -0.00621 
H18a  2     0.15003  0.54152  0.82001  11.00000  0.03882 
H18b  2     0.26304  0.66073  0.83707  11.00000  0.03788 
HKLF 4

END
