@MOLECULE 3-deazauracil 13 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4541 -0.7705 0.0000 O.3 1 UNL1 -0.4564 2 O 2.3070 -1.0054 -0.0000 O.2 1 UNL1 -0.5119 3 N 1.2524 0.9733 0.0000 N.ar 1 UNL1 -0.5083 4 C -1.1985 -0.2790 -0.0000 C.ar 1 UNL1 0.4244 5 C -0.0809 -1.0691 -0.0000 C.ar 1 UNL1 -0.5311 6 C -1.1295 1.1452 -0.0001 C.ar 1 UNL1 -0.3953 7 C 1.2214 -0.4680 0.0000 C.ar 1 UNL1 0.6187 8 C 0.1100 1.7299 0.0000 C.ar 1 UNL1 0.1461 9 H -0.1115 -2.1522 -0.0000 H 1 UNL1 0.1968 10 H -2.0466 1.7240 -0.0001 H 1 UNL1 0.1937 11 H 0.2356 2.8204 0.0000 H 1 UNL1 0.1630 12 H 2.1672 1.4156 0.0001 H 1 UNL1 0.3229 13 H -2.4745 -1.7630 0.0000 H 1 UNL1 0.3374 @BOND 1 10 6 1 2 6 4 ar 3 6 8 ar 4 3 7 ar 5 3 8 ar 6 3 12 1 7 4 5 ar 8 4 1 1 9 5 7 ar 10 5 9 1 11 2 7 2 12 8 11 1 13 1 13 1