@MOLECULE 6-[(4-bromo-2,3-dioxobutyl)sulfanyl]-9-{5-o-[hydroxy(phosphonooxy)phosphoryl]-beta-d-ribofuranosyl}-9h-purine 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9377 -1.9070 -0.5246 C.3 1 UNL11 0.2390 2 C -2.5471 -2.8400 0.5622 C.3 1 UNL11 0.0224 3 C -4.1535 -1.1825 -0.2296 C.3 1 UNL11 0.0389 4 C -4.0688 -2.5454 0.4909 C.3 1 UNL11 0.0931 5 C -0.7438 0.0933 0.6123 C.ar 1 UNL11 0.1671 6 C 2.3759 -2.6261 -1.0136 C.ar 1 UNL11 0.2637 7 C -4.4025 0.0340 0.6777 C.3 1 UNL11 -0.0387 8 C 5.4543 0.0008 0.0895 C.3 1 UNL11 -0.4559 9 C 9.0549 1.3891 0.4451 C.3 1 UNL11 -0.3643 10 H -1.4030 -4.3332 -0.0450 H 1 UNL11 0.3484 11 H -4.2140 -4.2346 -0.5338 H 1 UNL11 0.3438 12 C 2.7307 -0.5506 0.0294 C.ar 1 UNL11 0.1581 13 O -7.4364 -0.6362 1.8476 O.2 1 UNL11 -0.1792 14 O -9.6927 2.0176 -1.3745 O.2 1 UNL11 -0.1787 15 O 6.4777 1.8211 1.2765 O.2 1 UNL11 -0.3822 16 O 8.0772 -0.4495 -0.7393 O.2 1 UNL11 -0.3446 17 O -2.3419 -4.1867 0.2199 O.3 1 UNL11 -0.5418 18 O -4.7805 -3.4648 -0.2959 O.3 1 UNL11 -0.5315 19 O -6.7273 1.7557 2.2353 O.3 1 UNL11 -0.3505 20 O -7.4442 1.4246 -2.3755 O.3 1 UNL11 -0.3681 21 O -7.5164 3.3249 -0.7136 O.3 1 UNL11 -0.4118 22 C 6.5624 0.8774 0.5380 C.2 1 UNL11 0.3775 23 C 7.9536 0.4955 -0.0128 C.2 1 UNL11 0.3398 24 O -5.6580 0.5856 0.2816 O.3 1 UNL11 -0.3442 25 O -8.0431 1.0257 0.1202 O.3 1 UNL11 -0.0986 26 H -6.5158 2.6199 1.7234 H 1 UNL11 0.3256 27 H -6.5268 1.0873 -2.0641 H 1 UNL11 0.3315 28 H -7.5226 3.9748 -1.4965 H 1 UNL11 0.3201 29 O -2.8948 -0.9435 -0.8749 O.3 1 UNL11 -0.4204 30 N 0.5007 0.5383 0.7641 N.ar 1 UNL11 -0.3311 31 N 1.0340 -2.6258 -0.8868 N.ar 1 UNL11 -0.4690 32 N 3.2174 -1.6446 -0.5831 N.ar 1 UNL11 -0.4936 33 P -6.9732 0.5745 1.2067 P.3 1 UNL11 0.3639 34 P -8.2665 1.9799 -1.1378 P.3 1 UNL11 0.3873 35 BR 10.7663 0.8656 -0.3060 Br 1 UNL11 -0.0417 36 S 3.8331 0.6885 0.5891 S.3 1 UNL11 0.2584 37 C 0.5386 -1.5135 -0.2948 C.ar 1 UNL11 0.2402 38 C 1.3429 -0.4240 0.2089 C.ar 1 UNL11 -0.1002 39 N -0.7793 -1.1774 -0.0165 N.ar 1 UNL11 -0.3861 40 H -1.6566 -2.4502 -1.4665 H 1 UNL11 0.1824 41 H -2.1256 -2.6679 1.5735 H 1 UNL11 0.1526 42 H -4.8867 -1.2256 -1.0744 H 1 UNL11 0.1928 43 H -4.5653 -2.5578 1.4840 H 1 UNL11 0.1622 44 H -1.6473 0.6025 0.9188 H 1 UNL11 0.2040 45 H -4.2754 -0.2034 1.7486 H 1 UNL11 0.1315 46 H -3.6964 0.8585 0.4140 H 1 UNL11 0.1426 47 H 2.8416 -3.4944 -1.5107 H 1 UNL11 0.2090 48 H 5.4860 -0.1653 -1.0147 H 1 UNL11 0.2194 49 H 5.5820 -1.0335 0.4929 H 1 UNL11 0.2199 50 H 8.8693 2.4443 0.1575 H 1 UNL11 0.1988 51 H 9.1560 1.3761 1.5485 H 1 UNL11 0.1984 @BOND 1 20 27 1 2 20 34 1 3 47 6 1 4 28 21 1 5 40 1 1 6 14 34 2 7 34 21 1 8 34 25 1 9 42 3 1 10 48 8 1 11 6 31 ar 12 6 32 ar 13 31 37 ar 14 29 1 1 15 29 3 1 16 16 23 2 17 32 12 ar 18 11 18 1 19 1 39 1 20 1 2 1 21 35 9 1 22 18 4 1 23 37 39 ar 24 37 38 ar 25 3 4 1 26 3 7 1 27 10 17 1 28 39 5 ar 29 23 9 1 30 23 22 1 31 12 38 ar 32 12 36 1 33 8 49 1 34 8 22 1 35 8 36 1 36 25 33 1 37 50 9 1 38 38 30 ar 39 17 2 1 40 24 7 1 41 24 33 1 42 46 7 1 43 9 51 1 44 4 2 1 45 4 43 1 46 22 15 2 47 2 41 1 48 5 30 ar 49 5 44 1 50 7 45 1 51 33 13 2 52 33 19 1 53 26 19 1