! ! pyrimidine, r_s coordinates ! 6 N' -1.1982 0.0013 0.6848 0.0022 0.0 0.0 C(2) 0.0 0.0 1.2791 0.0012 0.0 0.0 N 1.1982 0.0013 0.6848 0.0022 0.0 0.0 C(4) 1.1843 0.0013 -0.6468 0.0023 0.0 0.0 C(5) 0.0 0.0 -1.3804 0.0011 0.0 0.0 C(6) -1.1843 0.0013 -0.6468 0.0023 0.0 0.0 ! ! Bond lengths ! 1 2 3 1 3 4 1 4 5 ! ! Bond angles ! 2 1 2 3 2 2 3 4 ! comments can also be placed here 2 3 4 5 2 4 5 6