# ATOMDATA Id x=3 neighbors=4 type # Box 20 0 0 0 20 0 0 0 20 1 10 10 10 2 3 4 0 C 2 9.635886667 11.02986803 10 1 0 0 0 H 3 9.635886667 9.485065986 10.89189188 1 0 0 0 H 4 9.635886667 9.485065986 9.108108125 1 0 0 0 H 5 11 11 10 6 7 8 0 N 6 12.00154 11 10 5 0 0 0 H 7 10.49923 11.86735908 10 5 0 0 0 H 8 10.49923 10.13264092 10 5 0 0 0 H