@MOLECULE 2-amino-5-methyl-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1969 -2.5085 -0.0010 O.2 1 UNL1 -0.4295 2 N 1.0070 2.0734 0.0056 N.ar 1 UNL1 -0.3471 3 N -1.3514 1.3023 -0.0693 N.ar 1 UNL1 -0.5456 4 N -1.5994 -1.1121 -0.0449 N.ar 1 UNL1 -0.6132 5 N -3.4842 0.2817 0.1089 N.pl3 1 UNL1 -0.6129 6 C 0.6287 -0.1707 -0.0068 C.ar 1 UNL1 -0.3386 7 C 0.0267 1.1043 -0.0098 C.ar 1 UNL1 0.2678 8 C 2.0409 0.0372 0.0094 C.ar 1 UNL1 0.0818 9 C 2.2541 1.4110 0.0143 C.ar 1 UNL1 -0.1578 10 C -0.1926 -1.3691 -0.0123 C.ar 1 UNL1 0.6319 11 C 3.0509 -1.0307 0.0217 C.3 1 UNL1 -0.4347 12 C -2.1015 0.0887 -0.0146 C.ar 1 UNL1 0.5731 13 H 0.8781 3.0568 -0.0170 H 1 UNL1 0.3141 14 H 3.1677 1.9656 0.0259 H 1 UNL1 0.1732 15 H -1.7586 2.1773 0.2232 H 1 UNL1 0.3214 16 H 2.9187 -1.7101 -0.8400 H 1 UNL1 0.1781 17 H 4.0804 -0.6537 -0.0009 H 1 UNL1 0.1505 18 H 2.9421 -1.6675 0.9181 H 1 UNL1 0.1768 19 H -3.9037 1.0139 -0.4349 H 1 UNL1 0.2919 20 H -4.0282 -0.5758 0.1135 H 1 UNL1 0.3190 @BOND 1 16 11 1 2 19 5 1 3 3 12 ar 4 3 7 ar 5 3 15 1 6 4 12 ar 7 4 10 ar 8 13 2 1 9 12 5 1 10 10 6 ar 11 10 1 2 12 7 6 ar 13 7 2 ar 14 6 8 ar 15 17 11 1 16 2 9 ar 17 8 9 ar 18 8 11 1 19 9 14 1 20 11 18 1 21 5 20 1