@MOLECULE 5-((2,4-diamino-5-pyrimidinyl)methyl)-8-(dimethylamino)-7-methylquinoline 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.0553 -0.1958 0.6558 N.pl3 1 UNL111111111111 -0.3723 2 N -2.2073 2.0060 0.2120 N.ar 1 UNL111111111111 -0.3979 3 N 3.4642 -0.4666 1.3664 N.ar 1 UNL111111111111 -0.6270 4 N 4.4518 0.3944 -0.6847 N.ar 1 UNL111111111111 -0.5603 5 N 1.4793 -1.6292 1.3804 N.pl3 1 UNL111111111111 -0.5798 6 N 5.5243 0.6314 1.3879 N.pl3 1 UNL111111111111 -0.5864 7 C -0.1916 -0.8551 -1.0482 C.ar 1 UNL111111111111 0.0142 8 C -0.5597 0.4830 -0.7366 C.ar 1 UNL111111111111 -0.1182 9 C -2.7460 -0.3507 0.0747 C.ar 1 UNL111111111111 0.0709 10 C -1.8285 0.7329 -0.1500 C.ar 1 UNL111111111111 0.1247 11 C -2.3735 -1.6338 -0.2856 C.ar 1 UNL111111111111 0.0489 12 C 1.1664 -1.1888 -1.6003 C.3 1 UNL111111111111 -0.2358 13 C -1.0906 -1.8726 -0.8381 C.ar 1 UNL111111111111 -0.2306 14 C 2.3019 -0.7094 -0.7612 C.ar 1 UNL111111111111 -0.3510 15 C 0.2851 1.6004 -0.9849 C.ar 1 UNL111111111111 -0.0604 16 C -3.2964 -2.7907 -0.1137 C.3 1 UNL111111111111 -0.4369 17 C -3.9768 0.3179 2.0429 C.3 1 UNL111111111111 -0.2702 18 C -4.9252 0.6566 -0.1869 C.3 1 UNL111111111111 -0.2686 19 C -0.1112 2.8595 -0.6219 C.ar 1 UNL111111111111 -0.2513 20 C -1.3856 3.0155 -0.0053 C.ar 1 UNL111111111111 0.0811 21 C 2.3973 -0.9207 0.6444 C.ar 1 UNL111111111111 0.4781 22 C 3.3816 -0.0517 -1.3604 C.ar 1 UNL111111111111 0.1676 23 C 4.4531 0.1702 0.6743 C.ar 1 UNL111111111111 0.5618 24 H 1.2676 -2.2923 -1.7405 H 1 UNL111111111111 0.1625 25 H 1.2382 -0.7726 -2.6333 H 1 UNL111111111111 0.1623 26 H -0.8325 -2.8997 -1.1007 H 1 UNL111111111111 0.1683 27 H 1.2514 1.4394 -1.4664 H 1 UNL111111111111 0.1694 28 H -4.0027 -2.8478 -0.9572 H 1 UNL111111111111 0.1645 29 H -2.7741 -3.7509 -0.0424 H 1 UNL111111111111 0.1459 30 H -3.9215 -2.6783 0.7899 H 1 UNL111111111111 0.1807 31 H -3.6447 1.3665 2.1181 H 1 UNL111111111111 0.1476 32 H -3.2836 -0.3077 2.6256 H 1 UNL111111111111 0.1392 33 H -4.9768 0.2325 2.4965 H 1 UNL111111111111 0.1416 34 H -4.8852 0.3052 -1.2296 H 1 UNL111111111111 0.1408 35 H -4.6578 1.7259 -0.1730 H 1 UNL111111111111 0.1458 36 H -5.9613 0.5451 0.1705 H 1 UNL111111111111 0.1422 37 H 0.5152 3.7299 -0.7919 H 1 UNL111111111111 0.1707 38 H -1.7344 4.0067 0.3119 H 1 UNL111111111111 0.1699 39 H 3.4079 0.1370 -2.4436 H 1 UNL111111111111 0.1711 40 H 0.5484 -1.7540 1.0295 H 1 UNL111111111111 0.3159 41 H 1.5907 -1.6612 2.3796 H 1 UNL111111111111 0.3144 42 H 5.5680 0.4902 2.3756 H 1 UNL111111111111 0.3230 43 H 6.2698 1.1055 0.9218 H 1 UNL111111111111 0.3237 @BOND 1 1 9 1 2 1 17 1 3 1 18 1 4 2 10 ar 5 2 20 ar 6 3 21 ar 7 3 23 ar 8 4 22 ar 9 4 23 ar 10 5 21 1 11 5 40 1 12 5 41 1 13 6 23 1 14 6 42 1 15 6 43 1 16 7 8 ar 17 7 12 1 18 7 13 ar 19 8 10 ar 20 8 15 ar 21 9 10 ar 22 9 11 ar 23 11 13 ar 24 11 16 1 25 12 14 1 26 12 24 1 27 12 25 1 28 13 26 1 29 14 21 ar 30 14 22 ar 31 15 19 ar 32 15 27 1 33 16 28 1 34 16 29 1 35 16 30 1 36 17 31 1 37 17 32 1 38 17 33 1 39 18 34 1 40 18 35 1 41 18 36 1 42 19 20 ar 43 19 37 1 44 20 38 1 45 22 39 1