@MOLECULE 2-amino-6-bromo-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 2.9335 0.6200 0.0058 Br 1 UNL1 0.0628 2 O -2.3363 -2.4573 0.0292 O.2 1 UNL1 -0.3773 3 N 0.2459 1.4257 -0.0003 N.ar 1 UNL1 -0.3467 4 N -2.2253 1.6526 -0.0594 N.ar 1 UNL1 -0.5401 5 N -3.4212 -0.4574 -0.0398 N.ar 1 UNL1 -0.6000 6 N -4.5902 1.5753 0.0863 N.pl3 1 UNL1 -0.6105 7 N 1.3318 -3.2376 -0.0133 N.1 1 UNL1 -0.2003 8 C -1.0479 0.9200 -0.0044 C.ar 1 UNL1 0.2742 9 C -1.0005 -0.4877 -0.0034 C.ar 1 UNL1 -0.2743 10 C 0.3782 -0.8576 -0.0023 C.ar 1 UNL1 -0.0047 11 C 1.1109 0.3276 -0.0008 C.ar 1 UNL1 0.0079 12 C -2.2440 -1.2607 0.0028 C.ar 1 UNL1 0.6151 13 C -3.4055 0.8439 -0.0185 C.ar 1 UNL1 0.5824 14 C 0.8970 -2.1650 -0.0069 C.1 1 UNL1 0.1353 15 H 0.5135 2.3870 -0.0189 H 1 UNL1 0.3301 16 H -2.2464 2.6251 0.2063 H 1 UNL1 0.3254 17 H -5.4390 1.0169 0.0823 H 1 UNL1 0.3247 18 H -4.6683 2.4327 -0.4286 H 1 UNL1 0.2960 @BOND 1 18 6 1 2 4 13 ar 3 4 8 ar 4 4 16 1 5 5 13 ar 6 5 12 ar 7 15 3 1 8 13 6 1 9 7 14 3 10 14 10 1 11 8 9 ar 12 8 3 ar 13 9 10 ar 14 9 12 ar 15 10 11 ar 16 11 3 ar 17 11 1 1 18 12 2 2 19 17 6 1