@MOLECULE 4-amino-1-[2-deoxy-2-fluoro-5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-d-arabinofuranosyl]-5-methyl-2(1h)-pyrimidinone 47 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.0550 1.7969 -0.6427 P.3 1 UNL1 0.4049 2 P 3.7302 -1.1520 0.0330 P.3 1 UNL1 0.4186 3 P 1.0772 -2.4677 0.7062 P.3 1 UNL1 0.3679 4 F -2.1880 1.1527 1.9610 F 1 UNL1 -0.1832 5 O -1.8469 2.1738 -1.1621 O.3 1 UNL1 -0.4297 6 O -0.9097 4.1885 1.2367 O.3 1 UNL1 -0.5529 7 O 1.5678 2.0835 -0.1944 O.3 1 UNL1 -0.2130 8 O -5.2546 1.1878 0.6175 O.2 1 UNL1 -0.4804 9 O 3.3694 0.3447 -0.1811 O.3 1 UNL1 -0.3365 10 O 2.9792 1.7218 -2.2292 O.3 1 UNL1 -0.3517 11 O 3.9238 2.7650 -0.0103 O.2 1 UNL1 -0.2113 12 O 2.4056 -2.0294 -0.0168 O.3 1 UNL1 -0.0408 13 O 4.3514 -1.1019 1.4819 O.3 1 UNL1 -0.2839 14 O 4.5446 -1.7750 -0.9902 O.2 1 UNL1 -0.1739 15 O 1.4654 -2.5865 2.2496 O.3 1 UNL1 -0.3630 16 O 0.1110 -1.1974 0.6995 O.3 1 UNL1 -0.3920 17 O 0.5693 -3.6685 0.0524 O.2 1 UNL1 -0.3328 18 N -3.3015 0.5498 -0.3479 N.ar 1 UNL1 -0.5048 19 N -5.1100 -1.0193 -0.0307 N.ar 1 UNL1 -0.6229 20 N -4.9279 -3.1913 -0.7283 N.pl3 1 UNL1 -0.5832 21 C -0.8419 2.8123 0.9318 C.3 1 UNL1 0.0683 22 C -0.6226 2.5996 -0.5768 C.3 1 UNL1 0.0290 23 C -2.2625 2.2677 1.2077 C.3 1 UNL1 0.0018 24 C -2.8495 1.9403 -0.1988 C.3 1 UNL1 0.2612 25 C 0.4187 1.4958 -0.8372 C.3 1 UNL1 -0.0732 26 C -2.5320 -0.4134 -0.9335 C.ar 1 UNL1 0.1479 27 C -4.6592 0.2623 0.1203 C.ar 1 UNL1 0.7108 28 C -3.0034 -1.6977 -1.0750 C.ar 1 UNL1 -0.3048 29 C -4.3435 -1.9610 -0.6039 C.ar 1 UNL1 0.4854 30 C -2.1959 -2.7531 -1.7331 C.3 1 UNL1 -0.4159 31 H -0.0527 2.3448 1.5641 H 1 UNL1 0.1721 32 H -0.3678 3.5392 -1.1132 H 1 UNL1 0.1619 33 H -2.8940 3.0306 1.7407 H 1 UNL1 0.1871 34 H -3.6940 2.6288 -0.4777 H 1 UNL1 0.1844 35 H 0.5091 1.2766 -1.9170 H 1 UNL1 0.1501 36 H 0.1651 0.5616 -0.2971 H 1 UNL1 0.1690 37 H -0.0460 4.6200 1.0552 H 1 UNL1 0.3315 38 H -1.5309 -0.1279 -1.2959 H 1 UNL1 0.1906 39 H -2.7001 -3.1546 -2.6251 H 1 UNL1 0.1499 40 H -1.9723 -3.5967 -1.0583 H 1 UNL1 0.1648 41 H -1.2181 -2.3816 -2.0815 H 1 UNL1 0.1706 42 H -5.8515 -3.3413 -0.3629 H 1 UNL1 0.3257 43 H -4.4119 -3.9762 -1.0568 H 1 UNL1 0.3111 44 H 3.8573 1.3049 -2.5755 H 1 UNL1 0.3289 45 H 3.7733 -0.4788 2.0728 H 1 UNL1 0.3310 46 H 0.8431 -3.2725 2.6844 H 1 UNL1 0.3087 47 H -0.8606 -1.5022 0.6100 H 1 UNL1 0.3164 @BOND 1 39 30 1 2 44 10 1 3 10 1 1 4 41 30 1 5 35 25 1 6 30 28 1 7 30 40 1 8 38 26 1 9 5 22 1 10 5 24 1 11 32 22 1 12 28 26 ar 13 28 29 ar 14 43 20 1 15 14 2 2 16 26 18 ar 17 25 22 1 18 25 36 1 19 25 7 1 20 20 29 1 21 20 42 1 22 1 7 1 23 1 9 1 24 1 11 2 25 29 19 ar 26 22 21 1 27 34 24 1 28 18 24 1 29 18 27 ar 30 24 23 1 31 9 2 1 32 19 27 ar 33 12 2 1 34 12 3 1 35 2 13 1 36 17 3 2 37 27 8 2 38 47 16 1 39 16 3 1 40 3 15 1 41 21 23 1 42 21 6 1 43 21 31 1 44 37 6 1 45 23 33 1 46 23 4 1 47 13 45 1 48 15 46 1