@MOLECULE 5-bromo-6-aminouracil 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -2.0309 -0.0215 0.0006 Br 1 UNL1 0.0204 2 O 0.0247 -2.3714 -0.0015 O.2 1 UNL1 -0.4475 3 O 3.8739 0.0324 0.0012 O.2 1 UNL1 -0.4845 4 N 1.9246 1.1931 0.0018 N.ar 1 UNL1 -0.5903 5 N 1.9349 -1.1983 -0.0011 N.ar 1 UNL1 -0.6316 6 N -0.0676 2.4412 -0.0035 N.pl3 1 UNL1 -0.6153 7 C 0.5299 1.2075 0.0001 C.ar 1 UNL1 0.5204 8 C -0.1601 0.0126 -0.0001 C.ar 1 UNL1 -0.4700 9 C 0.4989 -1.2631 -0.0004 C.ar 1 UNL1 0.6417 10 C 2.6650 -0.0245 0.0003 C.ar 1 UNL1 0.7163 11 H 2.4666 2.0537 -0.0008 H 1 UNL1 0.3398 12 H 2.4536 -2.0828 -0.0023 H 1 UNL1 0.3525 13 H 0.4578 3.2884 0.0032 H 1 UNL1 0.3129 14 H -1.0670 2.5267 -0.0027 H 1 UNL1 0.3351 @BOND 1 6 14 1 2 6 7 1 3 6 13 1 4 12 5 1 5 2 9 2 6 5 9 ar 7 5 10 ar 8 11 4 1 9 9 8 ar 10 8 7 ar 11 8 1 1 12 7 4 ar 13 10 3 2 14 10 4 ar