@MOLECULE [(1r,2r,4r)-4-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-2-hydroxy-cyclopentyl]methyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid 48 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -4.5191 1.7489 -0.4982 Br 1 UNL1 -0.0411 2 P 3.9459 0.0293 -0.3373 P.3 1 UNL1 0.3041 3 P 2.4244 1.7959 1.6626 P.3 1 UNL1 0.4081 4 P 0.1221 2.4966 -0.2012 P.3 1 UNL1 0.3980 5 O -0.1961 -0.6282 -2.9606 O.3 1 UNL1 -0.6016 6 O 2.8884 0.9223 0.4274 O.3 1 UNL1 -0.3180 7 O 4.7873 1.1202 -1.1572 O.3 1 UNL1 -0.4280 8 O 4.7296 -0.8881 0.4776 O.2 1 UNL1 -0.3095 9 O 0.1043 -4.8423 1.1173 O.2 1 UNL1 -0.4957 10 O 1.2331 2.5366 0.9207 O.3 1 UNL1 -0.1709 11 O -2.9865 -2.0908 2.9462 O.2 1 UNL1 -0.4664 12 O 1.7930 0.7581 2.6702 O.3 1 UNL1 -0.2918 13 O 3.2694 2.7793 2.2929 O.2 1 UNL1 -0.1544 14 O -0.4195 0.9897 -0.2382 O.3 1 UNL1 -0.4663 15 O 0.8143 2.5536 -1.6280 O.3 1 UNL1 -0.3322 16 O -0.8251 3.5582 0.0514 O.2 1 UNL1 -0.1965 17 N -0.6222 -3.0876 -0.1700 N.ar 1 UNL1 -0.4427 18 N -1.4558 -3.4590 2.0442 N.ar 1 UNL1 -0.6244 19 C 1.6064 -1.3018 -1.4245 C.3 1 UNL1 -0.1300 20 C 0.4428 -3.4241 -1.1528 C.3 1 UNL1 0.0932 21 C 1.7484 -2.6874 -0.7731 C.3 1 UNL1 -0.3088 22 C 0.8249 -1.5760 -2.7430 C.3 1 UNL1 0.1509 23 C 0.1276 -2.9447 -2.5795 C.3 1 UNL1 -0.3630 24 C 2.9190 -0.5677 -1.7498 C.3 1 UNL1 -0.1771 25 C -1.4102 -1.9691 -0.2801 C.ar 1 UNL1 0.1685 26 C -0.6126 -3.8706 1.0184 C.ar 1 UNL1 0.6843 27 C -2.2661 -1.5854 0.7174 C.ar 1 UNL1 -0.3363 28 C -2.3184 -2.3291 1.9692 C.ar 1 UNL1 0.6113 29 C -3.1715 -0.4577 0.6174 C.2 1 UNL1 -0.0945 30 C -3.3291 0.2825 -0.4838 C.2 1 UNL1 -0.2021 31 H 0.9503 -0.6755 -0.7603 H 1 UNL1 0.1892 32 H 0.5773 -4.5392 -1.1258 H 1 UNL1 0.1733 33 H 1.8939 -2.6351 0.3221 H 1 UNL1 0.1762 34 H 2.6239 -3.2440 -1.1519 H 1 UNL1 0.1597 35 H 1.4625 -1.5411 -3.6499 H 1 UNL1 0.1227 36 H 0.5070 -3.6710 -3.3186 H 1 UNL1 0.1592 37 H -0.9535 -2.8698 -2.7951 H 1 UNL1 0.1787 38 H 3.6018 -1.2446 -2.3522 H 1 UNL1 0.1794 39 H 2.6861 0.3227 -2.4077 H 1 UNL1 0.1833 40 H -0.0538 0.1944 -2.4394 H 1 UNL1 0.3578 41 H -1.3300 -1.3908 -1.2232 H 1 UNL1 0.2144 42 H -1.4673 -4.0228 2.9009 H 1 UNL1 0.3510 43 H 5.4648 1.5719 -0.5468 H 1 UNL1 0.3340 44 H -3.7427 -0.2522 1.5394 H 1 UNL1 0.1938 45 H 1.2789 0.0318 2.1589 H 1 UNL1 0.3126 46 H -2.8305 0.1570 -1.4347 H 1 UNL1 0.1752 47 H -1.1974 0.8951 0.4185 H 1 UNL1 0.3387 48 H 1.8058 2.2960 -1.5242 H 1 UNL1 0.3340 @BOND 1 35 22 1 2 36 23 1 3 5 22 1 4 5 40 1 5 37 23 1 6 22 23 1 7 22 19 1 8 23 20 1 9 39 24 1 10 38 24 1 11 24 19 1 12 24 2 1 13 15 48 1 14 15 4 1 15 46 30 1 16 19 21 1 17 19 31 1 18 41 25 1 19 7 43 1 20 7 2 1 21 20 32 1 22 20 21 1 23 20 17 1 24 34 21 1 25 21 33 1 26 1 30 1 27 30 29 2 28 2 6 1 29 2 8 2 30 25 17 ar 31 25 27 ar 32 14 4 1 33 14 47 1 34 4 16 2 35 4 10 1 36 17 26 ar 37 6 3 1 38 29 27 1 39 29 44 1 40 27 28 ar 41 10 3 1 42 26 9 2 43 26 18 ar 44 3 13 2 45 3 12 1 46 28 18 ar 47 28 11 2 48 18 42 1 49 45 12 1