@MOLECULE 2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4232 -2.2957 0.2069 O.2 1 UNL1 -0.4445 2 N 0.2579 2.3571 -0.0440 N.ar 1 UNL1 -0.3447 3 N -1.8674 1.0928 -0.1692 N.ar 1 UNL1 -0.5424 4 N -1.6080 -1.3078 0.0275 N.ar 1 UNL1 -0.6091 5 N 3.0979 -1.3307 -0.5761 N.3 1 UNL1 -0.6178 6 N -3.7480 -0.3433 0.0025 N.pl3 1 UNL1 -0.6071 7 C 0.3770 0.0839 0.0888 C.ar 1 UNL1 -0.3253 8 C 1.7044 0.6039 0.1626 C.ar 1 UNL1 -0.0160 9 C -0.4852 1.1951 -0.0359 C.ar 1 UNL1 0.2664 10 C 1.6125 1.9875 0.0739 C.ar 1 UNL1 -0.1325 11 C 2.9667 -0.1723 0.3284 C.3 1 UNL1 -0.0987 12 C -0.1876 -1.2582 0.1254 C.ar 1 UNL1 0.6314 13 C -2.3544 -0.2418 -0.0523 C.ar 1 UNL1 0.5774 14 H 2.3832 2.7306 0.0878 H 1 UNL1 0.1754 15 H -0.0814 3.2850 -0.1457 H 1 UNL1 0.3168 16 H 3.8586 0.4809 0.1834 H 1 UNL1 0.1470 17 H 3.0312 -0.5565 1.3788 H 1 UNL1 0.1658 18 H -2.4630 1.8855 0.0171 H 1 UNL1 0.3234 19 H 3.0410 -1.0490 -1.5419 H 1 UNL1 0.2410 20 H 2.3527 -1.9958 -0.3973 H 1 UNL1 0.2777 21 H -4.0997 -1.2954 0.0442 H 1 UNL1 0.3220 22 H -4.2887 0.2575 -0.5923 H 1 UNL1 0.2937 @BOND 1 19 5 1 2 22 6 1 3 5 20 1 4 5 11 1 5 3 13 ar 6 3 9 ar 7 3 18 1 8 15 2 1 9 13 6 1 10 13 4 ar 11 2 9 ar 12 2 10 ar 13 9 7 ar 14 6 21 1 15 4 12 ar 16 10 14 1 17 10 8 ar 18 7 12 ar 19 7 8 ar 20 12 1 2 21 8 11 1 22 16 11 1 23 11 17 1