!  Data file:       line1:   chiz chix chiy
!                   line2:   theta.za theta.zb theta.zc
!                   line3:   theta.xa theta.xb theta.xc
!                   line4:   theta.ya theta.yb theta.yc
!
!  declare angles with +ve direction anticlockwise from from ABC to XYZ
!
-53.198  26.437   26.761   
 64.67 -25.33   90.
-25.33 -115.33   90.
90.    90.    0.
|
data for H2OHCLAr, A'