@MOLECULE URA 8 7 1 0 0 SMALL bcc @ATOM 1 C -3.9390 0.7940 0.0000 c2 1 URA 0.353000 2 O -3.8510 2.0130 0.0000 o 1 URA -0.400000 3 N -5.1590 0.2090 0.0000 n 1 URA -0.402000 4 N1 -2.8150 0.0390 0.0000 n 1 URA -0.402000 5 H -6.0150 0.7840 0.0000 hn 1 URA 0.212500 6 H1 -5.2530 -0.8180 0.0000 hn 1 URA 0.212500 7 H2 -1.8860 0.4850 0.0000 hn 1 URA 0.212500 8 H3 -2.8700 -0.9900 0.0000 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