REFMAC

TLS
RANGE  'J   2.' 'J 526.' ALL
ORIGIN    88.9726 -47.0342  60.9020
T     0.9746   0.9697   1.0147  -0.0259   0.0067  -0.0074
L     0.2850   0.2110   0.7254  -0.1667   0.1731  -0.2242
S     0.0248  -0.0081  -0.5709   0.0351   0.0109   0.5808  -0.0042  -0.0217