TITL tindyb1t in Pbca 
CELL  0.710730 11.891100 13.859400 17.411699 90.000000 90.000000 90.000000 
ZERR      8.00  0.001300  0.001500  0.001900  0.000000  0.000000  0.000000 
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  Cl 
UNIT 112 128 16 24 16 
REM  Xshell X 3.911951 5.961584 9.876123 -1.514133
REM  Xshell R 3f61e82d be244c07 bee269f3 0 be4ffe5b bf7a54bb bd4efc1c 0  =
REM      bed93f42 3e09a43b bf653ed6 0 0 0 0 3f800000 
L.S. 4
ACTA
BOND 
FMAP 2
PLAN 20
WGHT  0.099200  0.000000 
FVAR  0.141590
Cl1    5   0.253506  0.617978  0.084470 11.000000  0.038440  0.060350 = 
           0.066120 -0.002020  0.001900 -0.007330
Cl2    5   0.520659  0.990831  0.110486 11.000000  0.065130  0.037620 = 
           0.066090 -0.005850 -0.002670  0.000360
C1     1   0.428165  0.814988  0.078270 11.000000  0.039450  0.038430 = 
           0.032830  0.002360 -0.003540  0.003990
AFIX 12
H1     2   0.370219  0.861371  0.062820 11.000000 -1.200000
AFIX 0
O2     4   0.575119  0.480813  0.118503 11.000000  0.061160  0.035920 = 
           0.057040  0.000380 -0.003760  0.002930
N3     3   0.400548  0.785091  0.156204 11.000000  0.049540  0.040830 = 
           0.029930 -0.004590  0.004220  0.001870
N4     3   0.525563  0.714390 -0.023289 11.000000  0.043690  0.043260 = 
           0.027980 -0.002310  0.001520  0.002050
C5     1   0.599493  0.646989  0.096400 11.000000  0.036990  0.037770 = 
           0.038650  0.000110 -0.008540  0.002940
C6     1   0.475622  0.626581  0.125876 11.000000  0.042060  0.037870 = 
           0.030470  0.001010 -0.003390  0.000230
O7     4   0.413637  0.675586  0.251156 11.000000  0.097840  0.060410 = 
           0.027760  0.002930  0.006230  0.000920
O8     4   0.686199  0.627972 -0.028252 11.000000  0.045060  0.063120 = 
           0.057730 -0.004640  0.011300  0.006370
C9     1   0.658706  0.733176  0.129625 11.000000  0.040220  0.048190 = 
           0.041390  0.001760 -0.012240  0.000260
AFIX 43
H9     2   0.719108  0.719670  0.161807 11.000000 -1.200000
AFIX 0
C10    1   0.606626  0.660081  0.008073 11.000000  0.039640  0.039270 = 
           0.044280 -0.001340  0.001610 -0.003710
C11    1   0.397420  0.633177  0.056907 11.000000  0.035770  0.040740 = 
           0.038300 -0.004560 -0.000690 -0.002640
AFIX 12
H11    2   0.417267  0.581834  0.020659 11.000000 -1.200000
AFIX 0
C12    1   0.541156  0.869024  0.074827 11.000000  0.043840  0.035120 = 
           0.038180 -0.000710 -0.001070  0.002150
AFIX 12
H12    2   0.564050  0.873289  0.020865 11.000000 -1.200000
AFIX 0
C13    1   0.636212  0.826002  0.119123 11.000000  0.043680  0.044030 = 
           0.048720 -0.003660 -0.008400 -0.002450
AFIX 43
H13    2   0.685498  0.869399  0.142073 11.000000 -1.200000
AFIX 0
C14    1   0.430677  0.698506  0.184531 11.000000  0.051920  0.043830 = 
           0.032370 -0.002870 -0.002980 -0.003300
C15    1   0.484339  0.524224  0.158076 11.000000  0.061850  0.043570 = 
           0.045970  0.007710  0.001430  0.002470
AFIX 23
H15A   2   0.498880  0.525764  0.212880 11.000000 -1.200000
H15B   2   0.415222  0.488824  0.149047 11.000000 -1.200000
AFIX 0
C16    1   0.421783  0.729316  0.019610 11.000000  0.038700  0.045230 = 
           0.030330 -0.002800 -0.007310  0.002810
AFIX 12
H16    2   0.361473  0.743132 -0.017140 11.000000 -1.200000
AFIX 0
C17    1   0.522613  0.734744 -0.105689 11.000000  0.066350  0.046650 = 
           0.031170 -0.000080 -0.001510 -0.008290
AFIX 137
H17A   2   0.596031  0.724787 -0.127209 11.000000 -1.500000
H17B   2   0.500057  0.800475 -0.113762 11.000000 -1.500000
H17C   2   0.469815  0.692328 -0.130182 11.000000 -1.500000
AFIX 0
C18    1   0.659334  0.553408  0.118764 11.000000  0.052270  0.042190 = 
           0.057790  0.002720 -0.012130  0.004580
AFIX 23
H18A   2   0.718058  0.538182  0.082045 11.000000 -1.200000
H18B   2   0.692825  0.559235  0.169350 11.000000 -1.200000
AFIX 0
C19    1   0.336573  0.850409  0.204650 11.000000  0.073230  0.054180 = 
           0.048790 -0.010410  0.013740  0.004180
AFIX 137
H19A   2   0.273703  0.816642  0.226420 11.000000 -1.500000
H19B   2   0.309868  0.903602  0.174409 11.000000 -1.500000
H19C   2   0.383867  0.874154  0.245141 11.000000 -1.500000
AFIX 0
HKLF 4
END