@MOLECULE 3-(6-amino-1h-purin-1-yl)propanoic acid 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.4528 0.0689 -1.3409 O.3 1 UNL1 -0.5436 2 O 4.1420 0.4480 0.8397 O.2 1 UNL1 -0.5087 3 N 0.0812 -0.5500 0.5312 N.pl3 1 UNL1 -0.4110 4 N -1.8641 -1.8919 0.0225 N.2 1 UNL1 -0.3280 5 N 0.0584 1.8603 0.4552 N.pl3 1 UNL1 -0.5867 6 N -2.9083 1.5500 -0.1697 N.ar 1 UNL1 -0.4085 7 N -3.8879 -0.5330 -0.4457 N.ar 1 UNL1 -0.4044 8 C 1.5269 -0.5945 0.7825 C.3 1 UNL1 -0.0671 9 C -0.5896 0.6586 0.3615 C.2 1 UNL1 0.4508 10 C 2.3104 -0.3805 -0.5227 C.3 1 UNL1 -0.3838 11 C -1.9437 0.5772 0.0426 C.ar 1 UNL1 -0.2151 12 C -0.6067 -1.7783 0.3303 C.3 1 UNL1 0.1989 13 C -2.5938 -0.7347 -0.1377 C.ar 1 UNL1 0.2479 14 C 3.6987 0.0844 -0.2184 C.2 1 UNL1 0.6422 15 C -4.0357 0.8609 -0.4552 C.ar 1 UNL1 0.1478 16 H 1.8116 0.1602 1.5579 H 1 UNL1 0.1748 17 H 1.7960 -1.5779 1.2401 H 1 UNL1 0.1712 18 H 1.8077 0.3643 -1.1872 H 1 UNL1 0.2079 19 H 2.3322 -1.3079 -1.1384 H 1 UNL1 0.2001 20 H 0.0023 -2.6854 0.4697 H 1 UNL1 0.1988 21 H -0.5167 2.6950 0.3852 H 1 UNL1 0.3488 22 H 0.9643 1.9613 0.8613 H 1 UNL1 0.3130 23 H -4.9866 1.3226 -0.6772 H 1 UNL1 0.1914 24 H 5.3845 0.3842 -1.2029 H 1 UNL1 0.3634 @BOND 1 1 24 1 2 1 14 1 3 18 10 1 4 19 10 1 5 23 15 1 6 10 14 1 7 10 8 1 8 15 7 ar 9 15 6 ar 10 7 13 ar 11 14 2 2 12 6 11 ar 13 13 4 2 14 13 11 ar 15 4 12 1 16 11 9 2 17 12 20 1 18 12 3 1 19 9 5 1 20 9 3 1 21 21 5 1 22 5 22 1 23 3 8 1 24 8 17 1 25 8 16 1