@MOLECULE 1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methyl-2,4(1h,3h)-pyrimidinedione 50 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9105 -0.9427 2.4561 O.2 1 UNL1 -0.5210 2 C 2.1560 -1.1318 1.2825 C.ar 1 UNL1 0.7082 3 N 3.1111 -0.3866 0.5956 N.ar 1 UNL1 -0.6244 4 C 3.4767 -0.6086 -0.7590 C.ar 1 UNL1 0.6036 5 O 4.2879 0.1459 -1.2423 O.2 1 UNL1 -0.4750 6 C 2.8146 -1.7358 -1.4056 C.ar 1 UNL1 -0.2422 7 C 3.2298 -2.0546 -2.7937 C.3 1 UNL1 -0.4042 8 C 1.8544 -2.4394 -0.7546 C.ar 1 UNL1 0.1083 9 N 1.4713 -2.1198 0.5405 N.ar 1 UNL1 -0.5170 10 C 0.3167 -2.8315 1.1567 C.3 1 UNL1 0.3311 11 O -0.4373 -3.3858 0.0989 O.3 1 UNL1 -0.4359 12 C -0.6270 -1.9267 1.9561 C.3 1 UNL1 -0.3936 13 C -1.9435 -1.8897 1.1593 C.3 1 UNL1 0.0926 14 O -2.4405 -0.5788 1.0536 O.3 1 UNL1 -0.3774 15 C -1.6255 -2.6365 -0.1505 C.3 1 UNL1 0.0313 16 C -1.3796 -1.6967 -1.3305 C.3 1 UNL1 -0.0949 17 O -2.2773 -0.6031 -1.2795 O.3 1 UNL1 -0.3926 18 C -2.1822 0.1577 -0.1073 C.3 1 UNL1 0.4524 19 P -3.7758 1.1894 -0.2585 P.3 1 UNL1 0.2697 20 O -4.8293 0.0055 -0.0342 O.3 1 UNL1 -0.3763 21 O -3.9296 2.3858 0.5581 O.2 1 UNL1 -0.2484 22 O -3.8953 1.5456 -1.8108 O.3 1 UNL1 -0.3476 23 C -0.8942 0.9512 -0.0123 C.ar 1 UNL1 -0.0445 24 C -0.1876 1.2739 -1.1737 C.ar 1 UNL1 -0.1573 25 C 1.0062 1.9827 -1.0824 C.ar 1 UNL1 -0.0934 26 C 1.4882 2.3568 0.1730 C.ar 1 UNL1 -0.1296 27 C 2.7748 3.0693 0.2504 C.2 1 UNL1 0.6419 28 O 3.5312 2.5675 1.2724 O.3 1 UNL1 -0.5841 29 O 3.1902 3.9622 -0.4356 O.2 1 UNL1 -0.4684 30 C 0.7692 2.0675 1.3320 C.ar 1 UNL1 -0.0822 31 C -0.4359 1.3759 1.2357 C.ar 1 UNL1 -0.1415 32 H 3.5191 0.4248 1.0844 H 1 UNL1 0.3650 33 H 4.2350 -1.6537 -3.0184 H 1 UNL1 0.1788 34 H 3.2678 -3.1351 -2.9857 H 1 UNL1 0.1494 35 H 2.5468 -1.6060 -3.5316 H 1 UNL1 0.1566 36 H 1.3379 -3.2930 -1.2196 H 1 UNL1 0.1898 37 H 0.7084 -3.7171 1.7167 H 1 UNL1 0.1586 38 H -0.7751 -2.3132 2.9794 H 1 UNL1 0.1755 39 H -0.2422 -0.8980 2.1139 H 1 UNL1 0.2126 40 H -2.7832 -2.3703 1.7174 H 1 UNL1 0.1602 41 H -2.3749 -3.4208 -0.3878 H 1 UNL1 0.1579 42 H -0.3372 -1.3294 -1.3597 H 1 UNL1 0.1495 43 H -1.6302 -2.1618 -2.3016 H 1 UNL1 0.1543 44 H -5.7452 0.4186 0.1612 H 1 UNL1 0.3249 45 H -3.7543 0.6993 -2.3732 H 1 UNL1 0.3190 46 H -0.5719 0.9842 -2.1528 H 1 UNL1 0.1690 47 H 1.5651 2.2441 -1.9841 H 1 UNL1 0.1739 48 H 4.4215 2.9931 1.3458 H 1 UNL1 0.3631 49 H 1.1507 2.3742 2.3088 H 1 UNL1 0.1752 50 H -1.0191 1.1704 2.1378 H 1 UNL1 0.1789 @BOND 1 35 7 1 2 33 7 1 3 34 7 1 4 7 6 1 5 45 22 1 6 43 16 1 7 46 24 1 8 47 25 1 9 22 19 1 10 6 4 ar 11 6 8 ar 12 42 16 1 13 16 17 1 14 16 15 1 15 17 18 1 16 5 4 2 17 36 8 1 18 24 25 ar 19 24 23 ar 20 25 26 ar 21 4 3 ar 22 8 9 ar 23 29 27 2 24 41 15 1 25 19 18 1 26 19 20 1 27 19 21 2 28 15 11 1 29 15 13 1 30 18 23 1 31 18 14 1 32 20 44 1 33 23 31 ar 34 11 10 1 35 26 27 1 36 26 30 ar 37 27 28 1 38 9 10 1 39 9 2 ar 40 3 32 1 41 3 2 ar 42 14 13 1 43 10 37 1 44 10 12 1 45 13 40 1 46 13 12 1 47 31 30 ar 48 31 50 1 49 28 48 1 50 2 1 2 51 30 49 1 52 12 39 1 53 12 38 1