@MOLECULE 6-(2,4-difluorophenoxy)-8-methyl-2-{[(2s)-1-(methylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4103 0.6363 -0.1173 C.ar 1 UNL1 0.5608 2 C 0.1754 0.7086 0.7780 C.ar 1 UNL1 -0.3801 3 C 1.5251 0.6914 1.2275 C.ar 1 UNL1 -0.0167 4 C -0.2658 -0.2669 -0.1709 C.ar 1 UNL1 0.4594 5 C 2.3633 -0.2494 0.7317 C.ar 1 UNL1 -0.0554 6 C -4.7151 1.5219 -0.0711 C.3 1 UNL1 0.1634 7 C -4.4956 2.9192 -0.6739 C.3 1 UNL1 -0.4780 8 C -8.1751 -0.9258 -0.3217 C.3 1 UNL1 -0.7629 9 N 0.6082 -1.2084 -0.6682 N.ar 1 UNL1 -0.4018 10 C -6.1181 1.0198 -0.4655 C.3 1 UNL1 -0.6487 11 F 8.0457 1.0488 -1.5331 F 1 UNL1 -0.1663 12 C 6.9476 0.6982 -0.8804 C.ar 1 UNL1 0.1738 13 C 5.7133 1.0850 -1.3955 C.ar 1 UNL1 -0.1912 14 C 4.5545 0.7245 -0.7073 C.ar 1 UNL1 -0.1830 15 C 7.0889 -0.0435 0.2960 C.ar 1 UNL1 -0.2410 16 C 5.9209 -0.3924 0.9585 C.ar 1 UNL1 0.1459 17 F 5.9759 -1.0894 2.0781 F 1 UNL1 -0.1346 18 C 4.6575 -0.0103 0.4695 C.ar 1 UNL1 0.1325 19 O 3.6199 -0.3888 1.2813 O.3 1 UNL1 -0.2025 20 C 1.9740 -1.2547 -0.2609 C.ar 1 UNL1 0.5562 21 O 2.6961 -2.0838 -0.7587 O.2 1 UNL1 -0.4452 22 C -0.7947 1.6376 1.2192 C.ar 1 UNL1 0.2115 23 N -2.0519 1.6262 0.7961 N.ar 1 UNL1 -0.5452 24 N -1.5494 -0.3024 -0.6161 N.ar 1 UNL1 -0.6015 25 C 0.1188 -2.2057 -1.6303 C.3 1 UNL1 -0.2253 26 N -3.6848 0.5947 -0.5859 N.pl3 1 UNL1 -0.4997 27 S -6.4788 -0.6432 0.1307 S.O2 1 UNL1 2.2367 28 O -6.3979 -0.6348 1.5704 O.2 1 UNL1 -0.8887 29 O -5.6465 -1.5153 -0.6755 O.2 1 UNL1 -0.9253 30 H 1.8611 1.4222 1.9671 H 1 UNL1 0.1786 31 H -4.6207 1.5866 1.0537 H 1 UNL1 0.1750 32 H -4.4874 2.8990 -1.7683 H 1 UNL1 0.1533 33 H -5.2638 3.6239 -0.3445 H 1 UNL1 0.1478 34 H -3.5244 3.3287 -0.3524 H 1 UNL1 0.1788 35 H -8.3548 -0.8154 -1.3965 H 1 UNL1 0.1821 36 H -8.4780 -1.9547 -0.0694 H 1 UNL1 0.1986 37 H -8.8705 -0.2690 0.2128 H 1 UNL1 0.1830 38 H -6.8628 1.7371 -0.0730 H 1 UNL1 0.1803 39 H -6.2235 1.0508 -1.5675 H 1 UNL1 0.1821 40 H 5.6452 1.6567 -2.3202 H 1 UNL1 0.1758 41 H 3.5787 1.0137 -1.0953 H 1 UNL1 0.1749 42 H 8.0686 -0.3382 0.6715 H 1 UNL1 0.1928 43 H -0.5356 2.4206 1.9485 H 1 UNL1 0.1795 44 H -0.1708 -1.7163 -2.5779 H 1 UNL1 0.1572 45 H 0.9012 -2.9594 -1.8411 H 1 UNL1 0.1795 46 H -0.7762 -2.7220 -1.2321 H 1 UNL1 0.1682 47 H -3.9773 -0.2267 -1.1304 H 1 UNL1 0.3653 @BOND 1 44 25 1 2 40 13 1 3 45 25 1 4 32 7 1 5 25 46 1 6 25 9 1 7 39 10 1 8 11 12 1 9 35 8 1 10 13 12 ar 11 13 14 ar 12 47 26 1 13 41 14 1 14 12 15 ar 15 21 20 2 16 14 18 ar 17 29 27 2 18 7 34 1 19 7 33 1 20 7 6 1 21 9 20 ar 22 9 4 ar 23 24 4 ar 24 24 1 ar 25 26 1 1 26 26 6 1 27 10 38 1 28 10 6 1 29 10 27 1 30 8 36 1 31 8 27 1 32 8 37 1 33 20 5 ar 34 4 2 ar 35 1 23 ar 36 6 31 1 37 27 28 2 38 15 42 1 39 15 16 ar 40 18 16 ar 41 18 19 1 42 5 3 ar 43 5 19 1 44 2 22 ar 45 2 3 ar 46 23 22 ar 47 16 17 1 48 22 43 1 49 3 30 1