@MOLECULE 2-amino-7-(2-aminoethyl)-3,7-dihydro-6h-purin-6-one 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2982 2.1521 0.5554 O.2 1 UNL1 -0.4601 2 N -1.1807 -0.8151 0.3999 N.ar 1 UNL1 -0.1817 3 N 2.3198 -0.9298 -0.2142 N.ar 1 UNL1 -0.4961 4 N 0.3439 -2.4276 -0.0562 N.ar 1 UNL1 -0.4206 5 N 1.8242 1.4230 0.1113 N.ar 1 UNL1 -0.6176 6 N -4.0815 1.2338 -0.7057 N.3 1 UNL1 -0.6240 7 N 3.9775 0.7403 -0.4875 N.pl3 1 UNL1 -0.6034 8 C 0.0390 -0.1724 0.2455 C.ar 1 UNL1 -0.2559 9 C -2.4415 -0.1369 0.6334 C.3 1 UNL1 -0.1573 10 C 0.9733 -1.2005 -0.0307 C.ar 1 UNL1 0.2595 11 C -3.2211 0.0483 -0.7043 C.3 1 UNL1 -0.1114 12 C -0.9654 -2.1682 0.2026 C.ar 1 UNL1 0.1096 13 C 0.4451 1.2300 0.3222 C.ar 1 UNL1 0.6352 14 C 2.6559 0.4398 -0.1686 C.ar 1 UNL1 0.5848 15 H -3.0479 -0.7059 1.3706 H 1 UNL1 0.1542 16 H -2.2325 0.8664 1.0935 H 1 UNL1 0.1944 17 H -2.5029 0.1405 -1.5538 H 1 UNL1 0.1651 18 H -3.8405 -0.8492 -0.9162 H 1 UNL1 0.1469 19 H -1.7354 -2.9229 0.2574 H 1 UNL1 0.1988 20 H 2.9416 -1.6540 -0.5438 H 1 UNL1 0.3395 21 H -3.5444 2.0847 -0.6175 H 1 UNL1 0.2652 22 H -4.7873 1.2048 0.0095 H 1 UNL1 0.2490 23 H 4.6988 0.0894 -0.2453 H 1 UNL1 0.2991 24 H 4.2373 1.7157 -0.3961 H 1 UNL1 0.3267 @BOND 1 17 11 1 2 18 11 1 3 6 11 1 4 6 21 1 5 6 22 1 6 11 9 1 7 20 3 1 8 7 24 1 9 7 23 1 10 7 14 1 11 3 14 ar 12 3 10 ar 13 14 5 ar 14 4 10 ar 15 4 12 ar 16 10 8 ar 17 5 13 ar 18 12 19 1 19 12 2 ar 20 8 13 ar 21 8 2 ar 22 13 1 2 23 2 9 1 24 9 16 1 25 9 15 1