@MOLECULE 8-(2,6-difluorophenyl)-2-[(1,3-dihydroxy-2-propanyl)amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7(8h)-one 52 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 2.6307 1.7403 -2.3285 F 1 UNL1 -0.1413 2 F 2.6400 1.3851 2.3412 F 1 UNL1 -0.1447 3 F -7.4188 0.1252 0.3521 F 1 UNL1 -0.1728 4 O 2.0244 -3.9793 2.1073 O.3 1 UNL1 -0.5371 5 O 2.0247 -4.4419 -2.1132 O.3 1 UNL1 -0.5387 6 O 1.5010 4.0435 0.0389 O.2 1 UNL1 -0.4534 7 N 1.1581 1.8137 0.0293 N.ar 1 UNL1 -0.4093 8 N 0.5265 -2.8280 -0.1294 N.pl3 1 UNL1 -0.4914 9 N 0.8723 -0.5104 -0.0095 N.ar 1 UNL1 -0.6125 10 N -1.3687 -1.4745 0.0593 N.ar 1 UNL1 -0.5460 11 C -1.1011 0.9246 0.0733 C.ar 1 UNL1 -0.3848 12 C 0.3089 0.7288 0.0292 C.ar 1 UNL1 0.4810 13 C -1.8967 -0.2508 0.0913 C.ar 1 UNL1 0.3606 14 CA 1.9817 -3.0485 -0.1243 C.3 1 UNL1 -0.0089 15 C -3.3682 -0.1581 0.1482 C.ar 1 UNL1 -0.1337 16 C 0.0156 -1.5691 -0.0136 C.ar 0 ACE0 0.5529 17 C -1.6136 2.2580 0.1023 C.ar 1 UNL1 0.0435 18 C 2.5648 1.5874 0.0083 C.ar 1 UNL1 0.0349 19 C 0.6702 3.1706 0.0508 C.ar 1 UNL1 0.6059 20 CB 2.5522 -2.9465 1.3063 C.3 1 UNL1 -0.0366 21 C 2.2581 -4.4409 -0.7220 C.3 1 UNL1 -0.0186 22 C -4.1048 -0.0303 -1.0387 C.ar 1 UNL1 0.1264 23 C -0.7759 3.3188 0.0869 C.ar 1 UNL1 -0.3478 24 C -3.9997 -0.2082 1.3916 C.ar 1 UNL1 -0.0546 25 C -5.4957 0.0699 -0.9682 C.ar 1 UNL1 -0.2703 26 C 3.2827 1.5512 -1.1965 C.ar 1 UNL1 0.2293 27 C 3.2883 1.3710 1.1911 C.ar 1 UNL1 0.2244 28 C -3.4137 -0.0109 -2.3554 C.3 1 UNL1 -0.4655 29 C -5.3852 -0.1089 1.4759 C.ar 1 UNL1 -0.2506 30 C -6.0997 0.0287 0.2863 C.ar 1 UNL1 0.2343 31 C 4.6553 1.3132 -1.2330 C.ar 1 UNL1 -0.2388 32 C 4.6606 1.1315 1.1873 C.ar 1 UNL1 -0.2413 33 C 5.3330 1.1051 -0.0334 C.ar 1 UNL1 -0.0628 34 HA 2.4690 -2.2588 -0.7688 H 1 UNL1 0.1903 35 H -0.0880 -3.6222 0.0160 H 1 UNL1 0.3337 36 H -2.7008 2.3882 0.1364 H 1 UNL1 0.1689 37 HB1 2.3455 -1.9578 1.7563 H 1 UNL1 0.1453 38 HB2 3.6426 -3.1314 1.3220 H 1 UNL1 0.1520 39 H1 1.6475 -5.2352 -0.2549 H 1 UNL1 0.1346 40 H2 3.3271 -4.7144 -0.6360 H 1 UNL1 0.1549 41 H -1.1279 4.3506 0.1041 H 1 UNL1 0.1962 42 H -3.4048 -0.3290 2.2994 H 1 UNL1 0.1663 43 H -6.0903 0.1714 -1.8740 H 1 UNL1 0.1797 44 H -2.6070 0.7394 -2.3865 H 1 UNL1 0.1728 45 H -2.9450 -0.9887 -2.5655 H 1 UNL1 0.1791 46 H -4.0879 0.2071 -3.1945 H 1 UNL1 0.1634 47 H -5.8895 -0.1438 2.4390 H 1 UNL1 0.1783 48 H 5.1883 1.2898 -2.1826 H 1 UNL1 0.1802 49 H 5.1990 0.9703 2.1201 H 1 UNL1 0.1795 50 H 6.4079 0.9183 -0.0499 H 1 UNL1 0.1572 51 H 1.1154 -3.7581 2.3948 H 1 UNL1 0.3153 52 H 1.1992 -3.9553 -2.3185 H 1 UNL1 0.3207 @BOND 1 46 28 1 2 45 28 1 3 44 28 1 4 28 22 1 5 1 26 1 6 52 5 1 7 48 31 1 8 5 21 1 9 43 25 1 10 31 26 ar 11 31 33 ar 12 26 18 ar 13 22 25 ar 14 22 15 ar 15 25 30 ar 16 34 14 1 17 21 40 1 18 21 39 1 19 21 14 1 20 8 14 1 21 8 16 1 22 8 35 1 23 14 20 1 24 50 33 1 25 33 32 ar 26 16 9 ar 27 16 10 ar 28 9 12 ar 29 18 7 1 30 18 27 ar 31 12 7 ar 32 12 11 ar 33 7 19 ar 34 6 19 2 35 19 23 ar 36 10 13 ar 37 11 13 ar 38 11 17 ar 39 23 17 ar 40 23 41 1 41 13 15 1 42 17 36 1 43 15 24 ar 44 30 3 1 45 30 29 ar 46 32 27 ar 47 32 49 1 48 27 2 1 49 20 38 1 50 20 37 1 51 20 4 1 52 24 29 ar 53 24 42 1 54 29 47 1 55 4 51 1