@MOLECULE (2s)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.6606 2.7609 -0.9435 C.3 1 UNL1 -0.4297 2 C 5.5093 1.6649 -0.4504 C.ar 1 UNL1 0.2611 3 N 6.8497 1.8321 -0.2071 N.ar 1 UNL1 -0.4466 4 C 7.3306 0.6473 0.2553 C.ar 1 UNL1 0.2433 5 C 8.6248 0.2625 0.6769 C.ar 1 UNL1 -0.1721 6 C 8.8205 -1.0138 1.1369 C.ar 1 UNL1 -0.1112 7 C 7.7412 -1.9331 1.2027 C.ar 1 UNL1 -0.2092 8 N 6.2770 -0.3102 0.2962 N.ar 1 UNL1 -0.1437 9 C 6.4787 -1.5743 0.7912 C.ar 1 UNL1 0.0005 10 C 5.1190 0.3294 -0.1637 C.ar 1 UNL1 -0.2021 11 C 3.8255 -0.2900 -0.3272 C.ar 1 UNL1 0.3523 12 C 3.6716 -1.6319 -0.7370 C.ar 1 UNL1 -0.4490 13 C 2.3700 -2.1191 -0.8671 C.ar 1 UNL1 0.1857 14 N 1.2840 -1.3614 -0.6365 N.ar 1 UNL1 -0.5227 15 N 2.7546 0.4956 -0.0989 N.ar 1 UNL1 -0.5460 16 C 1.5039 -0.0611 -0.2717 C.ar 1 UNL1 0.5326 17 N 0.4825 0.8296 -0.0458 N.pl3 1 UNL1 -0.4511 18 C -0.9107 0.5889 -0.0915 C.ar 1 UNL1 0.1405 19 C -1.7258 1.6425 0.3776 C.ar 1 UNL1 -0.1786 20 C -3.1035 1.5238 0.3444 C.ar 1 UNL1 -0.2005 21 C -1.4966 -0.5807 -0.5824 C.ar 1 UNL1 -0.1374 22 C -2.8838 -0.7087 -0.6131 C.ar 1 UNL1 -0.2472 23 C -3.6743 0.3425 -0.1570 C.ar 1 UNL1 0.2232 24 O -5.0346 0.3594 -0.1232 O.3 1 UNL1 -0.3568 25 C -5.7115 -0.7400 -0.7322 C.3 1 UNL1 -0.0793 26 C -7.1904 -0.3102 -0.6761 C.3 1 UNL1 0.1397 27 O -7.8673 -1.3096 -1.4111 O.3 1 UNL1 -0.5685 28 C -7.6989 -0.2648 0.7824 C.3 1 UNL1 -0.1895 29 N -9.1569 0.0042 0.7385 N.3 1 UNL1 -0.3994 30 C -9.8351 -0.5627 1.9240 C.3 1 UNL1 -0.2803 31 C -9.4325 1.4534 0.6339 C.3 1 UNL1 -0.2822 32 H 4.0848 2.4598 -1.8337 H 1 UNL1 0.1725 33 H 3.9185 3.0510 -0.1764 H 1 UNL1 0.1839 34 H 5.2481 3.6572 -1.2012 H 1 UNL1 0.1767 35 H 9.4225 1.0042 0.6234 H 1 UNL1 0.1878 36 H 9.8071 -1.3404 1.4663 H 1 UNL1 0.1625 37 H 7.9209 -2.9344 1.5909 H 1 UNL1 0.1728 38 H 5.6158 -2.2448 0.8498 H 1 UNL1 0.1858 39 H 4.5244 -2.2463 -0.9855 H 1 UNL1 0.1805 40 H 2.1637 -3.1542 -1.1719 H 1 UNL1 0.1726 41 H 0.7765 1.7653 0.2523 H 1 UNL1 0.3338 42 H -1.2748 2.5537 0.7676 H 1 UNL1 0.1575 43 H -3.7485 2.3249 0.6977 H 1 UNL1 0.1691 44 H -0.8822 -1.4096 -0.9488 H 1 UNL1 0.2025 45 H -3.3222 -1.6280 -0.9914 H 1 UNL1 0.1669 46 H -5.5209 -1.6603 -0.1565 H 1 UNL1 0.1394 47 H -5.3817 -0.8718 -1.7780 H 1 UNL1 0.1492 48 H -7.3481 0.6592 -1.1983 H 1 UNL1 0.1333 49 H -8.8188 -1.3080 -1.1444 H 1 UNL1 0.3496 50 H -7.1190 0.4833 1.3617 H 1 UNL1 0.1425 51 H -7.5143 -1.2499 1.2630 H 1 UNL1 0.1508 52 H -10.9189 -0.3746 1.8429 H 1 UNL1 0.1472 53 H -9.6964 -1.6570 1.9303 H 1 UNL1 0.1468 54 H -9.4848 -0.1593 2.8853 H 1 UNL1 0.1229 55 H -8.9314 1.8597 -0.2602 H 1 UNL1 0.1476 56 H -10.5166 1.6013 0.4936 H 1 UNL1 0.1470 57 H -9.1110 2.0411 1.5068 H 1 UNL1 0.1232 @BOND 1 32 1 1 2 47 25 1 3 27 49 1 4 27 26 1 5 34 1 1 6 48 26 1 7 40 13 1 8 45 22 1 9 39 12 1 10 44 21 1 11 1 2 1 12 1 33 1 13 13 12 ar 14 13 14 ar 15 12 11 ar 16 25 26 1 17 25 46 1 18 25 24 1 19 26 28 1 20 14 16 ar 21 22 21 ar 22 22 23 ar 23 21 18 ar 24 2 3 ar 25 2 10 ar 26 11 10 1 27 11 15 ar 28 16 15 ar 29 16 17 1 30 55 31 1 31 3 4 ar 32 10 8 ar 33 23 24 1 34 23 20 ar 35 18 17 1 36 18 19 ar 37 17 41 1 38 4 8 ar 39 4 5 ar 40 8 9 ar 41 20 19 ar 42 20 43 1 43 19 42 1 44 56 31 1 45 35 5 1 46 31 29 1 47 31 57 1 48 5 6 ar 49 29 28 1 50 29 30 1 51 28 51 1 52 28 50 1 53 9 38 1 54 9 7 ar 55 6 7 ar 56 6 36 1 57 7 37 1 58 52 30 1 59 30 53 1 60 30 54 1