! glycoaldehyde (H2O)_5 ! ! 7 =Og 0.84136 0.00977 0.03570 0.02144 -1.60694 0.00339 ! 1 HOg 1.54526 0.00699 -1.14279 0.00969 0.86206 0.01211 ! 2 9_O3 -0.59354 0.02079 -2.46170 0.00630 -0.55952 0.01850 ! 3 12_O4 -2.53562 0.00732 -0.90659 0.01778 0.37613 0.01548 ! 4 21_O5 -0.34945 0.03148 0.24774 0.03348 2.09354 0.00595 ! 5 18_O6 -0.09977 0.03110 2.55737 0.00833 0.52960 0.01869 ! 6 15_O2 -1.80972 0.00931 1.32616 0.01184 -1.24938 0.01218 ! 7 ! ! Bond lengths ! 1 2 5 1 2 3 1 1 3 1 1 7 1 5 6 1 5 4 1 4 7 1 6 7 1 4 3 1 1 2 ! calc OO in G ! ! Bond angles ! 2 1 4 3 2 2 3 4 end