Virtual Material File Title: Description: Molecule: methyl atom 0 nnn 0.000000 -0.000200 0.000001 C_3 0.000000 atom 1 nnn -1.000001 -0.363200 -0.238001 H_ 0.000000 atom 2 nnn 0.294000 -0.363200 0.985000 H_ 0.000000 atom 3 nnn 0.000000 1.089800 0.000001 H_ 0.000000 atom 4 nnn 0.939128 -0.483066 -0.993668 O_3 0.000000 atom 5 nnn 0.940533 -1.462767 -0.992918 H___A 0.000000 connect 0 1 S connect 0 2 S connect 0 3 S connect 4 5 S connect 0 4 S End