@MOLECULE (1r)-3-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-(3,4,5-trimethoxyphenyl)-2-propyn-1-ol 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.1862 -1.9444 -0.2364 N.ar 1 UNL1111111111 -0.5902 2 C -5.3776 -1.2639 -0.0887 C.ar 1 UNL1111111111 0.5807 3 N -5.5058 0.0795 0.1248 N.ar 1 UNL1111111111 -0.6395 4 C -4.3439 0.7911 0.2082 C.ar 1 UNL1111111111 0.5031 5 C -3.0646 0.1673 0.0828 C.ar 1 UNL1111111111 -0.3955 6 C -3.0545 -1.2289 -0.1503 C.ar 1 UNL1111111111 0.3940 7 C 3.4304 -0.3853 3.5693 C.3 1 UNL1111111111 -0.2147 8 C 3.0514 0.2365 -3.5376 C.3 1 UNL1111111111 -0.2148 9 C 4.5257 -2.5933 -0.2788 C.3 1 UNL1111111111 -0.2158 10 C -1.7729 -1.9710 -0.3106 C.3 1 UNL1111111111 -0.4567 11 N -6.5248 -1.9980 -0.1659 N.pl3 1 UNL1111111111 -0.5704 12 N -4.4837 2.1317 0.4201 N.pl3 1 UNL1111111111 -0.5774 13 O 0.4079 3.3368 -0.5360 O.3 1 UNL1111111111 -0.5294 14 C -1.8866 0.8976 0.1948 C.1 1 UNL1111111111 0.0165 15 C -0.8589 1.5352 0.2992 C.1 1 UNL1111111111 -0.2094 16 C 2.1203 0.7866 1.3743 C.ar 1 UNL1111111111 -0.3592 17 C 1.9841 0.9943 -1.0429 C.ar 1 UNL1111111111 -0.3483 18 O 3.8264 -0.7369 2.2483 O.3 1 UNL1111111111 -0.2706 19 O 3.5708 -0.3416 -2.3457 O.3 1 UNL1111111111 -0.2714 20 O 4.8093 -1.1983 -0.1669 O.3 1 UNL1111111111 -0.2740 21 C 1.5382 1.3310 0.2316 C.ar 1 UNL1111111111 0.0776 22 C 3.1836 -0.1090 1.2339 C.ar 1 UNL1111111111 0.2464 23 C 3.0505 0.0995 -1.1747 C.ar 1 UNL1111111111 0.2439 24 C 3.6722 -0.4474 -0.0398 C.ar 1 UNL1111111111 -0.0322 25 C 0.3677 2.2822 0.4052 C.3 1 UNL1111111111 0.1916 26 H 3.5947 0.6802 3.7585 H 1 UNL1111111111 0.1388 27 H 2.3915 -0.6727 3.7565 H 1 UNL1111111111 0.1356 28 H 4.1136 -0.9902 4.1806 H 1 UNL1111111111 0.1514 29 H 3.6651 -0.2482 -4.3096 H 1 UNL1111111111 0.1538 30 H 1.9960 -0.0196 -3.6697 H 1 UNL1111111111 0.1341 31 H 3.2097 1.3194 -3.5526 H 1 UNL1111111111 0.1390 32 H 3.9323 -2.7943 -1.1751 H 1 UNL1111111111 0.1305 33 H 5.5266 -3.0314 -0.3689 H 1 UNL1111111111 0.1470 34 H 4.0222 -2.9565 0.6214 H 1 UNL1111111111 0.1301 35 H -1.1989 -1.5879 -1.1702 H 1 UNL1111111111 0.1792 36 H -1.1341 -1.8550 0.5805 H 1 UNL1111111111 0.1808 37 H -1.9322 -3.0502 -0.4699 H 1 UNL1111111111 0.1810 38 H -6.4790 -2.9844 -0.3250 H 1 UNL1111111111 0.3256 39 H -7.4150 -1.5534 -0.0694 H 1 UNL1111111111 0.3239 40 H -5.3950 2.5405 0.4906 H 1 UNL1111111111 0.3230 41 H -3.6807 2.7275 0.4527 H 1 UNL1111111111 0.3228 42 H 0.2847 3.0014 -1.4476 H 1 UNL1111111111 0.3135 43 H 1.7455 1.0561 2.3551 H 1 UNL1111111111 0.1717 44 H 1.5104 1.4213 -1.9185 H 1 UNL1111111111 0.1661 45 H 0.4404 2.8556 1.3700 H 1 UNL1111111111 0.1680 @BOND 1 1 2 ar 2 2 11 1 3 2 3 ar 4 4 3 ar 5 4 12 1 6 5 4 ar 7 6 1 ar 8 6 5 ar 9 7 26 1 10 7 27 1 11 7 28 1 12 8 29 1 13 8 30 1 14 8 31 1 15 9 20 1 16 9 32 1 17 9 33 1 18 9 34 1 19 10 6 1 20 10 35 1 21 10 36 1 22 10 37 1 23 11 38 1 24 11 39 1 25 12 40 1 26 12 41 1 27 13 42 1 28 14 5 1 29 15 14 3 30 16 21 ar 31 16 43 1 32 17 21 ar 33 17 44 1 34 18 7 1 35 18 22 1 36 19 8 1 37 19 23 1 38 20 24 1 39 21 25 1 40 22 16 ar 41 23 17 ar 42 24 22 ar 43 24 23 ar 44 25 13 1 45 25 15 1 46 25 45 1