TITL Co110 in P-1 #2
CELL 0.71073 7.9999 9.3718 14.7362 82.625 81.527 81.726
ZERR 2 0.0002 0.0003 0.0005 0.001 0.001 0.001
LATT 1
SFAC C H N O F S Co
UNIT 32 32 8 8 12 4 2
L.S. 4
PLAN  5
BOND 
FMAP 2.0
WGHT 0.0376 0.5799
FVAR 0.4345

CO    7     0.09892  0.20544  0.24465  11.00000  0.01565  0.01883  0.01150 =
 -0.00482 -0.00034  0.00174 

S21   6     0.46587  0.03684  0.19103  11.00000  0.01587  0.02008  0.01634 =
 -0.00578 -0.00118  0.00194 
F21   5     0.41241 -0.19766  0.12419  11.00000  0.05055  0.03570  0.03668 =
 -0.01720  0.00121 -0.01614 
F22   5     0.59649 -0.23719  0.22085  11.00000  0.02130  0.02328  0.06944 =
 -0.00392 -0.00140  0.00584 
F23   5     0.32913 -0.19334  0.26977  11.00000  0.02547  0.03061  0.03583 =
 0.00409  0.00633 -0.00371 
O21   4     0.60667  0.05366  0.11929  11.00000  0.01780  0.02650  0.02576 =
 -0.00463  0.00153 -0.00085 
O22   4     0.48136  0.06055  0.28342  11.00000  0.02593  0.03060  0.01992 =
 -0.00880 -0.00718  0.00603 
N21   3     0.29065  0.11210  0.16349  11.00000  0.01909  0.02866  0.01263 =
 -0.00661 -0.00083  0.00631 
N22   3     0.00158  0.26831  0.12327  11.00000  0.01740  0.01995  0.01528 =
 -0.00295 -0.00301  0.00009 
C21   1     0.45036 -0.15836  0.20231  11.00000  0.01886  0.02419  0.02820 =
 -0.00469  0.00131  0.00010 
C22   1     0.27198  0.13279  0.06430  11.00000  0.02964  0.05802  0.01293 =
 -0.00942 -0.00398  0.01603 
AFIX 23
H22A  2     0.27779  0.03910  0.04185  11.00000 -1.20000 
H22B  2     0.36457  0.18160  0.03003  11.00000 -1.20000 
AFIX 0
C23   1     0.10403  0.22182  0.04888  11.00000  0.02218  0.02735  0.01608 =
 -0.00405 -0.00299 -0.00056 
C24   1     0.05878  0.25248 -0.03938  11.00000  0.03326  0.03947  0.01553 =
 -0.00417 -0.00321 -0.00216 
AFIX 43
H24   2     0.13092  0.21803 -0.08950  11.00000 -1.20000 
AFIX 0
C25   1    -0.09569  0.33529 -0.05168  11.00000  0.03585  0.03792  0.02178 =
 0.00550 -0.01383 -0.00792 
AFIX 43
H25   2    -0.12830  0.35820 -0.11037  11.00000 -1.20000 
AFIX 0
C26   1    -0.20097  0.38356  0.02446  11.00000  0.02579  0.02935  0.03409 =
 0.00335 -0.01398  0.00059 
AFIX 43
H26   2    -0.30508  0.43929  0.01714  11.00000 -1.20000 
AFIX 0
C27   1    -0.15120  0.34881  0.11168  11.00000  0.02004  0.02133  0.02575 =
 0.00018 -0.00465 -0.00141 
C28   1    -0.26034  0.39422  0.19727  11.00000  0.02440  0.03901  0.03275 =
 -0.00597 -0.00295  0.01344 
AFIX 137
H28A  2    -0.28605  0.30968  0.23821  11.00000 -1.50000 
H28B  2    -0.36437  0.44973  0.18114  11.00000 -1.50000 
H28C  2    -0.20060  0.45238  0.22736  11.00000 -1.50000 
AFIX 0
S11   6     0.19328  0.47445  0.32335  11.00000  0.02126  0.01818  0.01539 =
 -0.00333 -0.00392  0.00042 
F11   5     0.30005  0.41636  0.48616  11.00000  0.03642  0.03642  0.01787 =
 -0.00649 -0.00792  0.00375 
F12   5     0.45741  0.54592  0.38626  11.00000  0.04690  0.03497  0.04594 =
 0.00499 -0.02557 -0.01880 
F13   5     0.46956  0.31706  0.37815  11.00000  0.02592  0.03402  0.03060 =
 -0.00814 -0.00683  0.00787 
O11   4     0.09088  0.59904  0.35914  11.00000  0.03060  0.01855  0.02634 =
 -0.00472 -0.00469  0.00351 
O12   4     0.28304  0.48773  0.23125  11.00000  0.02559  0.02644  0.01698 =
 -0.00050 -0.00240 -0.00307 
N11   3     0.10194  0.33481  0.33928  11.00000  0.01936  0.02094  0.01364 =
 -0.00557  0.00047 -0.00120 
N12   3    -0.05977  0.10746  0.34684  11.00000  0.01627  0.02013  0.01575 =
 -0.00192 -0.00323  0.00081 
C11   1     0.36513  0.43619  0.39719  11.00000  0.02624  0.02240  0.02062 =
 -0.00313 -0.00619 -0.00196 
C12   1    -0.02822  0.31833  0.42093  11.00000  0.02295  0.02550  0.01734 =
 -0.00852  0.00372  0.00019 
AFIX 23
H12A  2    -0.11899  0.39877  0.41797  11.00000 -1.20000 
H12B  2     0.02258  0.31887  0.47671  11.00000 -1.20000 
AFIX 0
C13   1    -0.09943  0.17788  0.42322  11.00000  0.01597  0.02506  0.01693 =
 -0.00326 -0.00237  0.00209 
C14   1    -0.20402  0.12508  0.50026  11.00000  0.02032  0.03529  0.01541 =
 -0.00068 -0.00113  0.00244 
AFIX 43
H14   2    -0.22942  0.17497  0.55222  11.00000 -1.20000 
AFIX 0
C15   1    -0.26961 -0.00279  0.49834  11.00000  0.01943  0.04173  0.02267 =
 0.00921 -0.00258 -0.00540 
AFIX 43
H15   2    -0.33987 -0.04031  0.54913  11.00000 -1.20000 
AFIX 0
C16   1    -0.22947 -0.07480  0.41966  11.00000  0.02369  0.03048  0.02952 =
 0.00696 -0.01075 -0.00797 
AFIX 43
H16   2    -0.27291 -0.16102  0.41760  11.00000 -1.20000 
AFIX 0
C17   1    -0.12489 -0.01823  0.34442  11.00000  0.01703  0.02382  0.02392 =
 0.00126 -0.00938 -0.00067 
C18   1    -0.07969 -0.08750  0.25616  11.00000  0.02460  0.02336  0.02958 =
 -0.00524 -0.00988 -0.00240 
AFIX 137
H18A  2    -0.14265 -0.03283  0.20973  11.00000 -1.50000 
H18C  2    -0.10769 -0.18501  0.26640  11.00000 -1.50000 
H18B  2     0.04017 -0.08894  0.23593  11.00000 -1.50000 
AFIX 0
HKLF 4
END
