@MOLECULE 2-{[4-(3-methoxypyridin-2-yl)butyl]amino}-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-4-ol 53 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3197 1.1365 -1.9488 O.3 1 UNL1 -0.3175 2 O 0.7953 -3.0401 -1.5616 O.2 1 UNL1 -0.5171 3 N -3.3812 -1.8040 -0.0745 N.pl3 1 UNL1 -0.5058 4 N -1.2166 -2.3872 -0.8235 N.ar 1 UNL1 -0.6012 5 N -1.5041 2.9107 1.1577 N.ar 1 UNL1 -0.3592 6 N -1.5378 -1.6047 1.4168 N.ar 1 UNL1 -0.5450 7 N 3.6986 0.2456 -1.1272 N.ar 1 UNL1 -0.4033 8 C -3.9532 1.1235 -0.4881 C.3 1 UNL1 -0.2578 9 C -3.9078 0.4620 0.8924 C.3 1 UNL1 -0.3189 10 C -3.2483 2.4898 -0.4729 C.3 1 UNL1 -0.2671 11 C -4.2383 -1.0366 0.8539 C.3 1 UNL1 -0.0626 12 C -1.8254 2.3557 -0.0191 C.ar 1 UNL1 0.1224 13 C -2.0239 -1.8954 0.2022 C.ar 1 UNL1 0.5634 14 C 0.6680 -2.2760 0.7088 C.ar 1 UNL1 -0.3168 15 C 2.1260 -2.4618 0.9627 C.3 1 UNL1 -0.2261 16 C -0.8524 1.6584 -0.7849 C.ar 1 UNL1 0.1332 17 C 0.1837 -2.6105 -0.6081 C.ar 1 UNL1 0.6107 18 C 2.8729 -1.2138 0.6079 C.ar 1 UNL1 -0.0883 19 C -0.2048 -1.7976 1.6518 C.ar 1 UNL1 0.1784 20 C 0.4482 1.5449 -0.3087 C.ar 1 UNL1 -0.2199 21 C 3.3680 -0.3480 1.5822 C.ar 1 UNL1 -0.0954 22 C -0.2439 2.7927 1.6253 C.ar 1 UNL1 -0.0034 23 C 0.7566 2.1174 0.9252 C.ar 1 UNL1 -0.1890 24 C 3.0729 -0.8788 -0.7423 C.ar 1 UNL1 0.0455 25 C 4.0299 0.8132 1.1917 C.ar 1 UNL1 -0.2768 26 C 4.1714 1.0840 -0.1785 C.ar 1 UNL1 0.2185 27 C -0.3526 0.5495 -2.8137 C.3 1 UNL1 -0.2071 28 C 4.8499 2.3249 -0.6538 C.3 1 UNL1 -0.4549 29 H -3.4683 0.4849 -1.2503 H 1 UNL1 0.1383 30 H -5.0012 1.2516 -0.8169 H 1 UNL1 0.1366 31 H -2.9017 0.5944 1.3522 H 1 UNL1 0.1828 32 H -4.5961 0.9792 1.5869 H 1 UNL1 0.1536 33 H -3.7971 3.1932 0.1915 H 1 UNL1 0.1691 34 H -3.2756 2.9406 -1.4871 H 1 UNL1 0.1575 35 H -4.1184 -1.4697 1.8778 H 1 UNL1 0.1706 36 H -5.2914 -1.2089 0.5405 H 1 UNL1 0.1405 37 H -3.6398 -1.6997 -1.0522 H 1 UNL1 0.2988 38 H 2.3090 -2.7557 2.0169 H 1 UNL1 0.1524 39 H 2.5142 -3.3201 0.3590 H 1 UNL1 0.1762 40 H -1.5983 -2.6375 -1.7313 H 1 UNL1 0.3273 41 H 0.1075 -1.5258 2.6704 H 1 UNL1 0.1796 42 H 1.2197 1.0228 -0.8733 H 1 UNL1 0.1838 43 H 3.2384 -0.5737 2.6395 H 1 UNL1 0.1542 44 H -0.0571 3.2635 2.5942 H 1 UNL1 0.1710 45 H 1.7625 2.0354 1.3310 H 1 UNL1 0.1678 46 H 2.7133 -1.5325 -1.5518 H 1 UNL1 0.1938 47 H 4.4323 1.4989 1.9291 H 1 UNL1 0.1621 48 H 0.4308 1.2675 -3.0805 H 1 UNL1 0.1482 49 H 0.0791 -0.3518 -2.3644 H 1 UNL1 0.1411 50 H -0.9542 0.2947 -3.6955 H 1 UNL1 0.1526 51 H 5.9017 2.3523 -0.3371 H 1 UNL1 0.1602 52 H 4.3569 3.2271 -0.2651 H 1 UNL1 0.1635 53 H 4.8415 2.3986 -1.7548 H 1 UNL1 0.1797 @BOND 1 50 27 1 2 48 27 1 3 27 49 1 4 27 1 1 5 1 16 1 6 53 28 1 7 40 4 1 8 2 17 2 9 46 24 1 10 34 10 1 11 29 8 1 12 7 24 ar 13 7 26 ar 14 37 3 1 15 42 20 1 16 4 17 ar 17 4 13 ar 18 30 8 1 19 16 20 ar 20 16 12 ar 21 24 18 ar 22 28 51 1 23 28 52 1 24 28 26 1 25 17 14 ar 26 8 10 1 27 8 9 1 28 10 12 1 29 10 33 1 30 20 23 ar 31 26 25 ar 32 3 13 1 33 3 11 1 34 12 5 ar 35 13 6 ar 36 39 15 1 37 36 11 1 38 18 15 1 39 18 21 ar 40 14 15 1 41 14 19 ar 42 11 9 1 43 11 35 1 44 9 31 1 45 9 32 1 46 23 45 1 47 23 22 ar 48 15 38 1 49 5 22 ar 50 25 21 ar 51 25 47 1 52 6 19 ar 53 21 43 1 54 22 44 1 55 19 41 1