@MOLECULE 2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.3300 2.3790 0.0029 O.2 1 UNL1 -0.3834 2 N -0.3978 -2.2792 0.0076 N.ar 1 UNL1 -0.3407 3 N 1.8056 -1.1339 -0.0629 N.ar 1 UNL1 -0.5426 4 N 1.6661 1.2872 -0.0459 N.ar 1 UNL1 -0.6026 5 N 3.7493 0.2146 0.1035 N.pl3 1 UNL1 -0.6112 6 N -3.8380 1.0332 0.0121 N.1 1 UNL1 -0.2174 7 C 0.4169 -1.1563 -0.0058 C.ar 1 UNL1 0.2638 8 C -0.3845 0.0001 -0.0071 C.ar 1 UNL1 -0.2718 9 C -1.7408 -0.4427 0.0051 C.ar 1 UNL1 -0.0232 10 C -1.7275 -1.8378 0.0124 C.ar 1 UNL1 -0.0510 11 C 0.2404 1.3221 -0.0110 C.ar 1 UNL1 0.6131 12 C 2.3575 0.1845 -0.0162 C.ar 1 UNL1 0.5789 13 C -2.8867 0.3734 0.0089 C.1 1 UNL1 0.1393 14 H -0.1024 -3.2291 -0.0076 H 1 UNL1 0.3211 15 H 2.3481 -1.9381 0.2119 H 1 UNL1 0.3232 16 H -2.5473 -2.5322 0.0229 H 1 UNL1 0.1858 17 H 4.2862 -0.4560 -0.4148 H 1 UNL1 0.2950 18 H 4.1558 1.1458 0.1058 H 1 UNL1 0.3239 @BOND 1 17 5 1 2 3 12 ar 3 3 7 ar 4 3 15 1 5 4 12 ar 6 4 11 ar 7 12 5 1 8 11 8 ar 9 11 1 2 10 14 2 1 11 8 7 ar 12 8 9 ar 13 7 2 ar 14 9 13 1 15 9 10 ar 16 2 10 ar 17 13 6 3 18 10 16 1 19 5 18 1