@MOLECULE URA 8 7 1 0 0 SMALL bcc @ATOM 1 C 1.0220 0.0700 0.0680 c2 1 URA 0.353000 2 O 0.4170 0.9650 -0.4760 o 1 URA -0.400000 3 N 0.3980 -0.9670 0.6980 n 1 URA -0.402000 4 N1 2.3850 0.0130 0.1020 n 1 URA -0.402000 5 H -0.6050 -0.9760 0.7030 hn 1 URA 0.212500 6 H1 0.8930 -1.7120 1.1500 hn 1 URA 0.212500 7 H2 2.8960 0.7510 -0.3460 hn 1 URA 0.212500 8 H3 2.8920 -0.7260 0.5510 hn 1 URA 0.212500 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 @SUBSTRUCTURE 1 URA 1 TEMP 0 **** **** 0 ROOT