@MOLECULE 8-ethyl-2-(3-hydroxy-1-pyrrolidinyl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.4219 0.9451 -1.1125 O.3 1 UNL1 -0.5567 2 O 2.9171 -2.2732 -0.4476 O.2 1 UNL1 -0.4454 3 O 5.2113 -1.1758 0.3392 O.3 1 UNL1 -0.4840 4 O 5.4028 0.9198 -0.3919 O.2 1 UNL1 -0.5572 5 N -3.0154 -0.4834 0.3572 N.pl3 1 UNL1 -0.3653 6 N -0.8907 0.4944 0.2820 N.ar 1 UNL1 -0.6168 7 N 1.2826 1.3907 0.3982 N.ar 1 UNL1 -0.3308 8 N -1.2185 -1.8951 -0.1409 N.ar 1 UNL1 -0.5431 9 C -5.1720 0.5299 0.2146 C.3 1 UNL1 0.1486 10 C -5.3423 -0.9957 0.3650 C.3 1 UNL1 -0.3547 11 C -3.6708 0.8319 0.4126 C.3 1 UNL1 -0.0923 12 C -3.9550 -1.5889 0.0726 C.3 1 UNL1 -0.0420 13 C -1.6881 -0.6152 0.1345 C.ar 1 UNL1 0.5392 14 C 0.4465 0.2886 0.1970 C.ar 1 UNL1 0.4604 15 C 1.0029 -0.9822 -0.0665 C.ar 1 UNL1 -0.4631 16 C 0.0985 -2.0539 -0.2280 C.ar 1 UNL1 0.2470 17 C 0.7081 2.7320 0.6149 C.3 1 UNL1 -0.0494 18 C 2.6436 1.2418 0.2656 C.ar 1 UNL1 0.1807 19 C 2.4466 -1.1912 -0.1837 C.ar 1 UNL1 0.5398 20 C 3.2299 0.0326 0.0186 C.ar 1 UNL1 -0.3937 21 C 0.4300 3.4322 -0.7141 C.3 1 UNL1 -0.4627 22 C 4.6865 0.0021 -0.0589 C.2 1 UNL1 0.6783 23 H -5.8242 1.1067 0.8975 H 1 UNL1 0.1256 24 H -6.1055 -1.3910 -0.3205 H 1 UNL1 0.1569 25 H -5.6720 -1.2516 1.3866 H 1 UNL1 0.1590 26 H -3.2895 1.5118 -0.3890 H 1 UNL1 0.1822 27 H -3.4476 1.3231 1.3839 H 1 UNL1 0.1599 28 H -3.7061 -2.4574 0.7233 H 1 UNL1 0.1653 29 H -3.8537 -1.9343 -0.9809 H 1 UNL1 0.1579 30 H -6.2651 0.5872 -1.4480 H 1 UNL1 0.3183 31 H 0.4647 -3.0746 -0.4420 H 1 UNL1 0.2053 32 H -0.2425 2.6181 1.1939 H 1 UNL1 0.1758 33 H 1.4039 3.3284 1.2478 H 1 UNL1 0.1436 34 H 3.2470 2.1608 0.3891 H 1 UNL1 0.1905 35 H 1.3313 3.5324 -1.3305 H 1 UNL1 0.1581 36 H -0.3131 2.8763 -1.3058 H 1 UNL1 0.1707 37 H 0.0231 4.4364 -0.5508 H 1 UNL1 0.1545 38 H 6.1987 -1.1997 0.2424 H 1 UNL1 0.3398 @BOND 1 30 1 1 2 35 21 1 3 36 21 1 4 1 9 1 5 29 12 1 6 21 37 1 7 21 17 1 8 2 19 2 9 31 16 1 10 4 22 2 11 26 11 1 12 24 10 1 13 16 8 ar 14 16 15 ar 15 19 15 ar 16 19 20 ar 17 8 13 ar 18 15 14 ar 19 22 20 1 20 22 3 1 21 20 18 ar 22 12 5 1 23 12 10 1 24 12 28 1 25 13 6 ar 26 13 5 1 27 14 6 ar 28 14 7 ar 29 9 10 1 30 9 11 1 31 9 23 1 32 38 3 1 33 18 34 1 34 18 7 ar 35 5 11 1 36 10 25 1 37 7 17 1 38 11 27 1 39 17 32 1 40 17 33 1