@MOLECULE 5-fluoro-3-(2-methylbenzoyl)-2,4(1h,3h)-pyrimidinedione 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -3.9442 -1.4071 -0.1194 F 1 UNL1 -0.0987 2 O 0.4313 0.5401 2.2314 O.2 1 UNL1 -0.3479 3 O -1.4841 -1.7123 1.0956 O.2 1 UNL1 -0.4234 4 O -0.1649 2.3258 -0.5772 O.2 1 UNL1 -0.4988 5 N -0.8076 0.3081 0.3180 N.ar 1 UNL1 -0.6542 6 N -2.2341 1.5770 -1.1326 N.ar 1 UNL1 -0.5172 7 C 1.5961 -0.3006 0.3018 C.ar 1 UNL1 -0.2005 8 C 2.7262 0.5034 0.1079 C.ar 1 UNL1 0.1320 9 C 0.4620 0.2086 1.0885 C.2 1 UNL1 0.6521 10 C 1.5318 -1.5911 -0.2281 C.ar 1 UNL1 -0.0688 11 C -1.7683 -0.7324 0.4581 C.ar 1 UNL1 0.5964 12 C -0.9978 1.4553 -0.4565 C.ar 1 UNL1 0.7176 13 C 3.7914 -0.0068 -0.6426 C.ar 1 UNL1 -0.2114 14 C 2.7928 1.8772 0.6699 C.3 1 UNL1 -0.4821 15 C 2.5995 -2.0869 -0.9672 C.ar 1 UNL1 -0.1920 16 C 3.7262 -1.2898 -1.1763 C.ar 1 UNL1 -0.0854 17 C -3.0183 -0.4771 -0.2583 C.ar 1 UNL1 -0.1001 18 C -3.2332 0.6255 -1.0188 C.ar 1 UNL1 0.0792 19 H 0.6480 -2.2116 -0.0535 H 1 UNL1 0.1727 20 H 4.6753 0.6058 -0.8089 H 1 UNL1 0.1592 21 H 2.0493 2.5404 0.1869 H 1 UNL1 0.1925 22 H 2.5711 1.8925 1.7501 H 1 UNL1 0.1802 23 H 3.7730 2.3526 0.5370 H 1 UNL1 0.1604 24 H 2.5563 -3.0919 -1.3810 H 1 UNL1 0.1586 25 H -2.3726 2.4084 -1.7015 H 1 UNL1 0.3427 26 H 4.5604 -1.6764 -1.7613 H 1 UNL1 0.1484 27 H -4.1662 0.8177 -1.5641 H 1 UNL1 0.1887 @BOND 1 26 16 1 2 25 6 1 3 27 18 1 4 24 15 1 5 16 15 ar 6 16 13 ar 7 6 18 ar 8 6 12 ar 9 18 17 ar 10 15 10 ar 11 20 13 1 12 13 8 ar 13 4 12 2 14 12 5 ar 15 17 1 1 16 17 11 ar 17 10 19 1 18 10 7 ar 19 8 7 ar 20 8 14 1 21 21 14 1 22 7 9 1 23 5 11 ar 24 5 9 am 25 11 3 2 26 23 14 1 27 14 22 1 28 9 2 2