@MOLECULE n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-methoxybenzoyl]amino}phenyl)-2-pyridinecarboxamide 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.5106 -4.8670 0.5993 C.3 1 UNL1 -0.2061 2 O -4.4439 -3.8125 0.4060 O.3 1 UNL1 -0.3005 3 C -3.9558 -2.5461 0.3938 C.ar 1 UNL1 0.2527 4 C -4.9571 -1.5823 0.1823 C.ar 1 UNL1 -0.2165 5 C -4.6093 -0.2370 0.1679 C.ar 1 UNL1 0.0917 6 C -3.2666 0.1436 0.3369 C.ar 1 UNL1 -0.1956 7 C -2.3001 -0.8304 0.5377 C.ar 1 UNL1 -0.0555 8 C -2.6218 -2.1876 0.5768 C.ar 1 UNL1 -0.2907 9 C -0.8896 -0.3864 0.7539 C.2 1 UNL1 0.5792 10 O -0.5785 0.3932 1.6245 O.2 1 UNL1 -0.4884 11 N 0.0218 -0.9399 -0.1403 N.am 1 UNL1 -0.5616 12 C 1.4120 -0.6797 -0.1644 C.ar 1 UNL1 0.1771 13 C 2.0454 0.2050 0.7161 C.ar 1 UNL1 -0.1779 14 C 3.4170 0.4115 0.6341 C.ar 1 UNL1 -0.1629 15 C 4.1743 -0.2671 -0.3287 C.ar 1 UNL1 0.1737 16 C 3.5395 -1.1567 -1.2151 C.ar 1 UNL1 -0.1949 17 C 2.1711 -1.3606 -1.1343 C.ar 1 UNL1 -0.2126 18 N 5.5706 -0.1066 -0.4775 N.am 1 UNL1 -0.5244 19 C 6.3791 0.6612 0.3369 C.2 1 UNL1 0.5745 20 O 5.9747 1.3060 1.2811 O.2 1 UNL1 -0.5020 21 C 7.8467 0.6696 -0.0131 C.ar 1 UNL1 0.0536 22 C 8.7115 1.4702 0.7391 C.ar 1 UNL1 -0.1658 23 C 10.0673 1.4662 0.4085 C.ar 1 UNL1 -0.0929 24 C 10.5086 0.6730 -0.6464 C.ar 1 UNL1 -0.2117 25 C 9.5700 -0.1005 -1.3480 C.ar 1 UNL1 0.0512 26 N 8.2637 -0.1017 -1.0389 N.ar 1 UNL1 -0.3765 27 C -5.6344 0.7888 0.0032 C.ar 1 UNL1 -0.2949 28 C -5.6409 1.9133 0.7734 C.ar 1 UNL1 0.1595 29 N -6.6094 2.8831 0.6249 N.ar 1 UNL1 -0.5210 30 C -7.6474 2.7652 -0.3334 C.ar 1 UNL1 0.6936 31 O -8.4799 3.6380 -0.4346 O.2 1 UNL1 -0.4896 32 N -7.6377 1.6147 -1.1148 N.ar 1 UNL1 -0.6212 33 C -6.6684 0.5738 -1.0048 C.ar 1 UNL1 0.6165 34 O -6.8014 -0.3678 -1.7467 O.2 1 UNL1 -0.4572 35 H -4.1597 -5.7539 0.5748 H 1 UNL1 0.1556 36 H -2.7857 -4.9030 -0.2195 H 1 UNL1 0.1350 37 H -3.0182 -4.7840 1.5732 H 1 UNL1 0.1373 38 H -5.9878 -1.9050 0.0243 H 1 UNL1 0.1926 39 H -2.9828 1.1942 0.3064 H 1 UNL1 0.1706 40 H -1.8536 -2.9302 0.7638 H 1 UNL1 0.1692 41 H -0.3304 -1.5677 -0.8584 H 1 UNL1 0.3154 42 H 1.4739 0.7449 1.4773 H 1 UNL1 0.1997 43 H 3.8904 1.1098 1.3322 H 1 UNL1 0.2021 44 H 4.1184 -1.6888 -1.9677 H 1 UNL1 0.1576 45 H 1.6904 -2.0493 -1.8251 H 1 UNL1 0.1534 46 H 6.0178 -0.6225 -1.2399 H 1 UNL1 0.3369 47 H 8.3233 2.0765 1.5612 H 1 UNL1 0.1940 48 H 10.7709 2.0786 0.9730 H 1 UNL1 0.1634 49 H 11.5582 0.6478 -0.9273 H 1 UNL1 0.1667 50 H 9.8629 -0.7432 -2.1865 H 1 UNL1 0.1737 51 H -4.8818 2.1001 1.5499 H 1 UNL1 0.1853 52 H -6.6105 3.7184 1.2055 H 1 UNL1 0.3407 53 H -8.3794 1.5122 -1.8134 H 1 UNL1 0.3481 @BOND 1 50 25 1 2 44 16 1 3 45 17 1 4 53 32 1 5 34 33 2 6 25 26 ar 7 25 24 ar 8 46 18 1 9 16 17 ar 10 16 15 ar 11 17 12 ar 12 32 33 ar 13 32 30 ar 14 26 21 ar 15 33 27 ar 16 49 24 1 17 41 11 1 18 24 23 ar 19 18 15 1 20 18 19 am 21 31 30 2 22 30 29 ar 23 15 14 ar 24 36 1 1 25 12 11 1 26 12 13 ar 27 11 9 am 28 21 19 1 29 21 22 ar 30 27 5 1 31 27 28 ar 32 38 4 1 33 5 4 ar 34 5 6 ar 35 4 3 ar 36 39 6 1 37 19 20 2 38 6 7 ar 39 3 2 1 40 3 8 ar 41 2 1 1 42 23 22 ar 43 23 48 1 44 7 8 ar 45 7 9 1 46 35 1 1 47 8 40 1 48 1 37 1 49 29 28 ar 50 29 52 1 51 14 13 ar 52 14 43 1 53 13 42 1 54 22 47 1 55 9 10 2 56 28 51 1