@MOLECULE 7h-purine-7-propanoic acid, 2-amino-1,6-dihydro-6-oxo- 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1799 1.9726 0.7608 O.2 1 UNL1 -0.4560 2 O -4.3475 1.1514 -1.1743 O.3 1 UNL1 -0.5491 3 O -4.4926 -0.2429 0.5613 O.2 1 UNL1 -0.5160 4 N -0.3976 -1.0471 0.3735 N.ar 1 UNL1 -0.1944 5 N 3.0718 -0.7391 -0.3450 N.ar 1 UNL1 -0.4988 6 N 1.2642 -2.4417 -0.2822 N.ar 1 UNL1 -0.4237 7 N 2.3544 1.5072 0.2223 N.ar 1 UNL1 -0.6231 8 N 4.5446 1.1108 -0.4884 N.pl3 1 UNL1 -0.6019 9 C -1.7051 -0.5380 0.7561 C.3 1 UNL1 -0.0662 10 C 0.7453 -0.2698 0.2505 C.ar 1 UNL1 -0.2532 11 C 1.7677 -1.1633 -0.1513 C.ar 1 UNL1 0.2582 12 C -2.3200 0.2850 -0.3890 C.3 1 UNL1 -0.3784 13 C -0.0533 -2.3460 0.0374 C.ar 1 UNL1 0.1189 14 C 1.0091 1.1550 0.4426 C.ar 1 UNL1 0.6338 15 C 3.2725 0.6467 -0.1703 C.ar 1 UNL1 0.5847 16 C -3.8036 0.3367 -0.2374 C.2 1 UNL1 0.6529 17 H -2.3713 -1.3882 1.0446 H 1 UNL1 0.1759 18 H -1.5938 0.1094 1.6669 H 1 UNL1 0.1885 19 H -1.8873 1.3200 -0.3984 H 1 UNL1 0.2239 20 H -2.0519 -0.1285 -1.3865 H 1 UNL1 0.1958 21 H -0.7406 -3.1786 0.0392 H 1 UNL1 0.2013 22 H 3.7548 -1.3630 -0.7508 H 1 UNL1 0.3408 23 H 5.3359 0.5161 -0.3376 H 1 UNL1 0.3005 24 H 4.7094 2.0944 -0.3079 H 1 UNL1 0.3278 25 H -5.3330 1.2252 -1.1114 H 1 UNL1 0.3579 @BOND 1 20 12 1 2 2 25 1 3 2 16 1 4 22 5 1 5 8 23 1 6 8 24 1 7 8 15 1 8 19 12 1 9 12 16 1 10 12 9 1 11 5 15 ar 12 5 11 ar 13 6 11 ar 14 6 13 ar 15 16 3 2 16 15 7 ar 17 11 10 ar 18 13 21 1 19 13 4 ar 20 7 14 ar 21 10 4 ar 22 10 14 ar 23 4 9 1 24 14 1 2 25 9 17 1 26 9 18 1