@MOLECULE 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(1-piperazinyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one 58 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.4503 1.0092 2.0385 Cl 1 UNL1 -0.0516 2 CL -9.1836 1.0989 -0.4149 Cl 1 UNL1 -0.0755 3 F 4.4535 1.1405 -1.4992 F 1 UNL1 -0.1465 4 O -2.8026 1.8039 -0.6468 O.2 1 UNL1 -0.4562 5 N 6.8068 0.6539 -0.2141 N.pl3 1 UNL1 -0.4081 6 N 9.1580 2.2098 0.2071 N.3 1 UNL1 -0.5359 7 N -1.1228 0.3237 -0.3474 N.ar 1 UNL1 -0.4186 8 N 2.3609 -2.8078 0.2244 N.pl3 1 UNL1 -0.4487 9 N 0.6363 -1.2025 -0.0607 N.ar 1 UNL1 -0.5902 10 N 0.1694 -3.5727 0.2597 N.ar 1 UNL1 -0.5362 11 C 8.1251 -0.0071 -0.0757 C.3 1 UNL1 -0.1094 12 C 6.7502 1.8782 0.6247 C.3 1 UNL1 -0.1010 13 C 7.8295 2.8589 0.1076 C.3 1 UNL1 -0.1180 14 C 9.1942 0.9766 -0.6130 C.3 1 UNL1 -0.1153 15 C 5.6897 -0.2063 -0.0095 C.ar 1 UNL1 0.0686 16 C 4.5089 0.0678 -0.7285 C.ar 1 UNL1 0.1888 17 C 5.7037 -1.3531 0.7936 C.ar 1 UNL1 -0.1638 18 C 3.4360 -1.8879 0.1395 C.ar 1 UNL1 0.2051 19 C 3.3877 -0.7503 -0.6741 C.ar 1 UNL1 -0.2294 20 C 4.5957 -2.1889 0.8708 C.ar 1 UNL1 -0.2226 21 C -0.7084 -0.9678 -0.1442 C.ar 1 UNL1 0.4712 22 C -1.6551 -2.0321 -0.0433 C.ar 1 UNL1 -0.3840 23 C -3.4590 -0.4628 -0.3181 C.ar 1 UNL1 -0.2237 24 C -0.1471 1.4378 -0.3252 C.3 1 UNL1 -0.0392 25 C -2.5132 0.6482 -0.4479 C.ar 1 UNL1 0.5904 26 C -3.0454 -1.7394 -0.1279 C.ar 1 UNL1 0.0339 27 C 1.0321 -2.4836 0.1314 C.ar 1 UNL1 0.5554 28 C -4.8704 -0.0902 -0.3573 C.ar 1 UNL1 -0.0053 29 C -1.1309 -3.3296 0.1666 C.ar 1 UNL1 0.2157 30 C 0.1617 1.8471 1.1150 C.3 1 UNL1 -0.4594 31 C -5.4366 0.6167 0.7055 C.ar 1 UNL1 0.0456 32 C -5.6732 -0.4194 -1.4526 C.ar 1 UNL1 -0.1019 33 C -6.7703 1.0024 0.7158 C.ar 1 UNL1 -0.1960 34 C -7.0177 -0.0509 -1.4730 C.ar 1 UNL1 -0.1846 35 C -7.5349 0.6492 -0.3901 C.ar 1 UNL1 0.0419 36 H 8.3669 -0.2776 0.9749 H 1 UNL1 0.1313 37 H 8.1289 -0.9355 -0.6842 H 1 UNL1 0.1406 38 H 5.7463 2.3423 0.5366 H 1 UNL1 0.1455 39 H 6.9265 1.6558 1.6996 H 1 UNL1 0.1330 40 H 7.5782 3.1700 -0.9299 H 1 UNL1 0.1297 41 H 7.8395 3.7690 0.7440 H 1 UNL1 0.1386 42 H 10.2019 0.5218 -0.5148 H 1 UNL1 0.1366 43 H 9.0093 1.1690 -1.6923 H 1 UNL1 0.1294 44 H 9.8941 2.8534 -0.0790 H 1 UNL1 0.2535 45 H 6.5922 -1.5933 1.3772 H 1 UNL1 0.1620 46 H 2.4932 -0.5089 -1.2560 H 1 UNL1 0.2096 47 H 4.6312 -3.0690 1.5099 H 1 UNL1 0.1645 48 H 0.7835 1.1216 -0.8526 H 1 UNL1 0.1618 49 H -0.5786 2.2957 -0.8960 H 1 UNL1 0.1694 50 H -3.7620 -2.5596 -0.0249 H 1 UNL1 0.1674 51 H 2.5838 -3.7772 0.4596 H 1 UNL1 0.3394 52 H -1.7977 -4.2004 0.2653 H 1 UNL1 0.1814 53 H -0.7459 2.1553 1.6499 H 1 UNL1 0.1599 54 H 0.6175 1.0214 1.6772 H 1 UNL1 0.1597 55 H 0.8645 2.6880 1.1376 H 1 UNL1 0.1558 56 H -5.2404 -0.9573 -2.2969 H 1 UNL1 0.1689 57 H -7.1957 1.5613 1.5509 H 1 UNL1 0.1909 58 H -7.6430 -0.3055 -2.3288 H 1 UNL1 0.1758 @BOND 1 58 34 1 2 56 32 1 3 43 14 1 4 3 16 1 5 34 32 ar 6 34 35 ar 7 32 28 ar 8 46 19 1 9 40 13 1 10 49 24 1 11 48 24 1 12 16 19 ar 13 16 15 ar 14 37 11 1 15 19 18 ar 16 4 25 2 17 14 42 1 18 14 11 1 19 14 6 1 20 25 7 ar 21 25 23 ar 22 2 35 1 23 35 33 ar 24 28 23 1 25 28 31 ar 26 7 24 1 27 7 21 ar 28 24 30 1 29 23 26 ar 30 5 11 1 31 5 15 1 32 5 12 1 33 21 9 ar 34 21 22 ar 35 26 22 ar 36 26 50 1 37 44 6 1 38 11 36 1 39 9 27 ar 40 22 29 ar 41 15 17 ar 42 13 6 1 43 13 12 1 44 13 41 1 45 27 8 1 46 27 10 ar 47 18 8 1 48 18 20 ar 49 29 10 ar 50 29 52 1 51 8 51 1 52 38 12 1 53 12 39 1 54 31 33 ar 55 31 1 1 56 33 57 1 57 17 20 ar 58 17 45 1 59 20 47 1 60 30 55 1 61 30 53 1 62 30 54 1