@MOLECULE 2-methyl-2-propanyl 3-[(4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-1-azetidinecarboxylate 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.7626 -1.6917 0.6302 C.3 1 UNL1 -1.0502 2 C 5.4793 -0.8334 -0.5964 C.3 1 UNL1 0.8531 3 C 6.4433 0.3361 -0.7414 C.3 1 UNL1 -1.0998 4 C 5.3997 -1.6701 -1.8780 C.3 1 UNL1 -0.9954 5 O 4.1205 -0.3354 -0.5149 O.3 1 UNL1 -0.2690 6 C 3.7832 0.5191 0.4753 C.2 1 UNL1 0.4044 7 O 4.4857 0.8699 1.3948 O.2 1 UNL1 -0.3843 8 N 2.4980 1.0175 0.2363 N.am 1 UNL1 -0.3389 9 C 1.6181 1.3586 1.3999 C.3 1 UNL1 -0.3852 10 C 0.4378 0.5746 0.7224 C.3 1 UNL1 0.2330 11 C 1.4449 0.1842 -0.4233 C.3 1 UNL1 -0.3674 12 N -0.6412 1.4600 0.3134 N.pl3 1 UNL1 -0.7941 13 C -1.8942 0.9168 0.0782 C.ar 1 UNL1 0.7975 14 N -2.8619 1.7809 -0.4463 N.ar 1 UNL1 -0.7771 15 C -4.2097 1.3369 -0.6280 C.ar 1 UNL1 0.4215 16 O -4.9882 2.1446 -1.0737 O.2 1 UNL1 -0.2985 17 C -4.4699 -0.0384 -0.2478 C.ar 1 UNL1 -0.4603 18 C -5.7516 -0.5944 -0.3716 C.ar 1 UNL1 0.0306 19 C -5.9510 -1.9062 0.0144 C.ar 1 UNL1 -0.4809 20 C -4.8517 -2.6383 0.5187 C.ar 1 UNL1 0.1630 21 N -3.6219 -2.1397 0.6470 N.ar 1 UNL1 -0.5229 22 C -3.4162 -0.8420 0.2684 C.ar 1 UNL1 0.8469 23 N -2.1327 -0.3511 0.4043 N.ar 1 UNL1 -0.7855 24 H 5.8274 -1.0791 1.5427 H 1 UNL1 0.3033 25 H 4.9700 -2.4304 0.7941 H 1 UNL1 0.2713 26 H 6.7105 -2.2302 0.5296 H 1 UNL1 0.2848 27 H 7.4517 -0.0047 -0.9970 H 1 UNL1 0.3054 28 H 6.1118 1.0310 -1.5226 H 1 UNL1 0.2830 29 H 6.5182 0.9162 0.1915 H 1 UNL1 0.3052 30 H 4.6769 -2.4883 -1.7779 H 1 UNL1 0.2721 31 H 5.0762 -1.0576 -2.7291 H 1 UNL1 0.2764 32 H 6.3745 -2.1036 -2.1222 H 1 UNL1 0.2807 33 H 1.9421 0.9586 2.3721 H 1 UNL1 0.2247 34 H 1.4905 2.4483 1.4943 H 1 UNL1 0.2363 35 H 1.2078 0.5645 -1.4278 H 1 UNL1 0.2260 36 H 1.6632 -0.8909 -0.4981 H 1 UNL1 0.2165 37 H 0.0528 -0.2901 1.3096 H 1 UNL1 0.2263 38 H -0.3638 2.2966 -0.1898 H 1 UNL1 0.4792 39 H -2.6538 2.7531 -0.6611 H 1 UNL1 0.4289 40 H -6.5670 0.0185 -0.7693 H 1 UNL1 0.2002 41 H -6.9256 -2.3770 -0.0620 H 1 UNL1 0.2381 42 H -4.9695 -3.6846 0.8373 H 1 UNL1 0.2010 @BOND 1 31 4 1 2 32 4 1 3 4 30 1 4 4 2 1 5 28 3 1 6 35 11 1 7 16 15 2 8 27 3 1 9 40 18 1 10 3 2 1 11 3 29 1 12 39 14 1 13 15 14 ar 14 15 17 ar 15 2 5 1 16 2 1 1 17 5 6 1 18 36 11 1 19 14 13 ar 20 11 8 1 21 11 10 1 22 18 17 ar 23 18 19 ar 24 17 22 ar 25 38 12 1 26 41 19 1 27 19 20 ar 28 13 12 1 29 13 23 ar 30 8 6 am 31 8 9 1 32 22 23 ar 33 22 21 ar 34 12 10 1 35 6 7 2 36 20 21 ar 37 20 42 1 38 26 1 1 39 1 25 1 40 1 24 1 41 10 37 1 42 10 9 1 43 9 34 1 44 9 33 1