@MOLECULE 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -5.9038 -0.6934 -0.3472 I 1 UNL1 0.0060 2 F -0.7206 2.4173 -0.0047 F 1 UNL1 -0.1055 3 F -1.3803 -0.8490 2.5476 F 1 UNL1 -0.1412 4 O 6.8603 -1.3449 -0.8501 O.3 1 UNL1 -0.5883 5 O 2.6298 -1.5156 0.8645 O.2 1 UNL1 -0.5448 6 O 6.5294 -4.2827 -1.5694 O.3 1 UNL1 -0.5249 7 O 0.9839 4.4661 -0.5290 O.2 1 UNL1 -0.4569 8 N 4.6012 -0.4441 0.6379 N.ar 1 UNL1 -0.4606 9 N 2.8068 3.1497 -0.2240 N.ar 1 UNL1 -0.3777 10 N 4.7312 1.8545 0.0924 N.ar 1 UNL1 -0.5350 11 N 0.3371 -0.1928 0.4796 N.pl3 1 UNL1 -0.4610 12 C 2.5340 0.8010 0.3180 C.ar 1 UNL1 -0.4781 13 C 5.3132 -1.7089 0.8547 C.3 1 UNL1 -0.1080 14 C 3.3397 1.9356 0.0657 C.ar 1 UNL1 0.4675 15 C 5.8369 -2.2582 -0.4877 C.3 1 UNL1 0.0893 16 C 3.1700 -0.4519 0.6191 C.ar 1 UNL1 0.6353 17 C 1.0928 0.9254 0.2628 C.ar 1 UNL1 0.3695 18 C 5.3102 0.7030 0.3514 C.ar 1 UNL1 0.3415 19 C 0.5844 2.1852 -0.0049 C.ar 1 UNL1 -0.2480 20 C 1.3702 3.3530 -0.2705 C.ar 1 UNL1 0.5916 21 C 6.4506 -3.6554 -0.3090 C.3 1 UNL1 -0.0583 22 C 3.6874 4.2977 -0.4771 C.3 1 UNL1 -0.2275 23 C -1.0647 -0.2423 0.2957 C.ar 1 UNL1 0.1220 24 C -1.9074 -0.6142 1.3586 C.ar 1 UNL1 0.1550 25 C -1.6387 0.0016 -0.9577 C.ar 1 UNL1 -0.1186 26 C -3.2832 -0.7530 1.1983 C.ar 1 UNL1 -0.2104 27 C -3.0145 -0.1233 -1.1353 C.ar 1 UNL1 -0.1666 28 C -3.8177 -0.4998 -0.0620 C.ar 1 UNL1 -0.0406 29 H 4.6197 -2.4484 1.3332 H 1 UNL1 0.1958 30 H 6.1587 -1.5468 1.5618 H 1 UNL1 0.1628 31 H 5.0480 -2.2648 -1.2735 H 1 UNL1 0.1539 32 H 6.4183 0.6505 0.3421 H 1 UNL1 0.2140 33 H 5.7850 -4.3293 0.2665 H 1 UNL1 0.1581 34 H 7.4428 -3.6121 0.1711 H 1 UNL1 0.1348 35 H 0.7981 -1.0481 0.8156 H 1 UNL1 0.3635 36 H 4.3621 4.0911 -1.3278 H 1 UNL1 0.1604 37 H 4.3123 4.5119 0.4092 H 1 UNL1 0.1613 38 H 3.0881 5.1990 -0.7123 H 1 UNL1 0.1809 39 H 7.0778 -1.4150 -1.7985 H 1 UNL1 0.3317 40 H -1.0017 0.2921 -1.7974 H 1 UNL1 0.1837 41 H 7.3238 -3.9877 -2.0576 H 1 UNL1 0.3103 42 H -3.9041 -1.0436 2.0483 H 1 UNL1 0.1890 43 H -3.4366 0.0793 -2.1214 H 1 UNL1 0.1740 @BOND 1 43 27 1 2 41 6 1 3 39 4 1 4 40 25 1 5 6 21 1 6 36 22 1 7 31 15 1 8 27 25 ar 9 27 28 ar 10 25 23 ar 11 4 15 1 12 38 22 1 13 7 20 2 14 15 21 1 15 15 13 1 16 22 9 1 17 22 37 1 18 1 28 1 19 21 34 1 20 21 33 1 21 20 9 ar 22 20 19 ar 23 9 14 ar 24 28 26 ar 25 19 2 1 26 19 17 ar 27 14 10 ar 28 14 12 ar 29 10 18 ar 30 17 12 ar 31 17 11 1 32 23 11 1 33 23 24 ar 34 12 16 ar 35 32 18 1 36 18 8 ar 37 11 35 1 38 16 8 ar 39 16 5 2 40 8 13 1 41 13 29 1 42 13 30 1 43 26 24 ar 44 26 42 1 45 24 3 1