@MOLECULE 1-[2-deoxy-2-fluoro-5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-d-arabinofuranosyl]-5-iodo-2,4(1h,3h)-pyrimidinedione 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 0.5406 2.2286 -1.7615 I 1 UNL1 0.0975 2 P 1.7464 -2.1038 -1.3032 P.3 1 UNL1 0.3476 3 P 3.4246 -0.8358 0.9402 P.3 1 UNL1 0.4065 4 P 1.0711 0.2982 2.4909 P.3 1 UNL1 0.3822 5 F -3.9266 -0.8953 -1.4870 F 1 UNL1 -0.1849 6 O -1.8710 -1.8028 0.8245 O.3 1 UNL1 -0.4102 7 O -4.0277 -3.9374 0.0871 O.3 1 UNL1 -0.5365 8 O 0.3555 -2.2624 -0.4832 O.3 1 UNL1 -0.3003 9 O -4.0160 1.0682 2.1934 O.2 1 UNL1 -0.4988 10 O 2.7335 -1.7887 -0.1306 O.3 1 UNL1 -0.2075 11 O 2.1906 -3.6176 -1.5569 O.3 1 UNL1 -0.3439 12 O 1.6870 -1.3347 -2.5298 O.2 1 UNL1 -0.2512 13 O -0.9857 4.0418 0.6499 O.2 1 UNL1 -0.4776 14 O 2.3381 -0.5315 2.0276 O.3 1 UNL1 -0.1613 15 O 3.9506 0.4544 0.2092 O.3 1 UNL1 -0.3030 16 O 4.4583 -1.6887 1.4919 O.2 1 UNL1 -0.1417 17 O -0.0935 0.1339 1.4324 O.3 1 UNL1 -0.4544 18 O 1.4655 1.8229 2.2742 O.3 1 UNL1 -0.3079 19 O 0.8406 -0.1451 3.8489 O.2 1 UNL1 -0.1913 20 N -2.6479 0.3592 0.4971 N.ar 1 UNL1 -0.4681 21 N -2.5280 2.5885 1.3543 N.ar 1 UNL1 -0.6181 22 C -3.2762 -3.0209 -0.6723 C.3 1 UNL1 0.0488 23 C -1.8514 -2.8870 -0.0945 C.3 1 UNL1 0.0349 24 C -3.9454 -1.6527 -0.3718 C.3 1 UNL1 0.0020 25 C -3.0522 -1.0319 0.7418 C.3 1 UNL1 0.2560 26 C -0.8269 -2.6227 -1.2151 C.3 1 UNL1 -0.0658 27 C -3.1193 1.3307 1.4223 C.ar 1 UNL1 0.7073 28 C -1.5988 0.6413 -0.3644 C.ar 1 UNL1 0.2170 29 C -1.0365 1.8791 -0.4115 C.ar 1 UNL1 -0.3748 30 C -1.4434 2.9322 0.4955 C.ar 1 UNL1 0.6111 31 H -3.3079 -3.3067 -1.7423 H 1 UNL1 0.1477 32 H -1.5477 -3.7442 0.5473 H 1 UNL1 0.1703 33 H -5.0068 -1.7795 -0.0263 H 1 UNL1 0.1863 34 H -3.5321 -1.1191 1.7589 H 1 UNL1 0.1984 35 H -1.1575 -1.7975 -1.8819 H 1 UNL1 0.1327 36 H -0.7109 -3.5417 -1.8286 H 1 UNL1 0.1345 37 H -3.7858 -4.8619 -0.1265 H 1 UNL1 0.3267 38 H -1.2690 -0.1955 -1.0049 H 1 UNL1 0.2003 39 H -2.8620 3.2990 2.0148 H 1 UNL1 0.3503 40 H 2.5580 -4.0148 -0.6829 H 1 UNL1 0.3245 41 H 3.1611 1.0918 0.0281 H 1 UNL1 0.3283 42 H -0.2811 -0.8566 1.2264 H 1 UNL1 0.3698 43 H 0.6428 2.3183 1.9024 H 1 UNL1 0.3165 @BOND 1 12 2 2 2 35 26 1 3 36 26 1 4 1 29 1 5 31 22 1 6 11 2 1 7 11 40 1 8 5 24 1 9 2 8 1 10 2 10 1 11 26 8 1 12 26 23 1 13 38 28 1 14 22 24 1 15 22 23 1 16 22 7 1 17 29 28 ar 18 29 30 ar 19 24 33 1 20 24 25 1 21 28 20 ar 22 10 3 1 23 37 7 1 24 23 32 1 25 23 6 1 26 41 15 1 27 15 3 1 28 30 13 2 29 30 21 ar 30 20 25 1 31 20 27 ar 32 25 6 1 33 25 34 1 34 3 16 2 35 3 14 1 36 42 17 1 37 21 27 ar 38 21 39 1 39 27 9 2 40 17 4 1 41 43 18 1 42 14 4 1 43 18 4 1 44 4 19 2