subroutine char FROM real Z1 real Y1 real Z2 real C1 real C2 real  C3

! the molecule FROM is shifted to its center of mass as calculated
! by AMoRe (orthogonal coordinates) and the reoriented

set matr 2  init z-ax Z1  y-ax  Y1 z-ax Z2
!set matr 3 tran 2

tran atom sele segm name FROM end vector C1 * -1.0  C2 * -1.0  C3 * -1.0
rota atom sele segm name FROM end matr 2

return