@MOLECULE (3s,5s,9r,18s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-18-fluoro-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide 52 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 4.8343 2.6642 -0.0993 P.3 1 UNL1 0.3082 2 P 2.9591 -3.6845 -0.2882 P.3 2 UNL2 0.4399 3 P 0.6346 -1.7186 -0.6598 P.3 2 UNL2 0.3566 4 F -6.1970 -1.0521 -0.7757 F 3 UNL3 -0.0101 5 O 1.9995 -0.3655 1.9882 O.2 1 UNL1 -0.0282 6 O 3.3577 2.7543 0.8734 O.3 1 UNL1 -0.2069 7 O 0.7489 2.9212 2.2067 O.2 1 UNL1 -0.3805 8 O 4.6985 -1.0614 0.1642 O.2 1 UNL1 -0.0835 9 O 4.2821 3.0811 -1.4216 O.2 1 UNL1 -0.0958 10 O 5.4327 3.9656 0.2908 O.3 1 UNL1 -0.1231 11 O 1.8682 -2.5919 -0.2075 O.3 2 UNL2 -0.2586 12 O 0.6030 -2.2654 -2.2747 O.3 2 UNL2 -0.3089 13 O 5.3322 1.3320 0.2544 O.3 1 UNL1 -0.4155 14 O 1.4370 -0.2889 -4.0037 O.2 4 UNL4 -0.4546 15 O 3.1234 -4.3189 -1.5597 O.2 2 UNL2 -0.1983 16 O 3.5687 -3.7649 1.0051 O.2 2 UNL2 -0.1316 17 O 1.0677 -0.3347 -0.7813 O.2 2 UNL2 -0.2984 18 O 1.8578 1.9854 -2.0553 O.2 4 UNL4 -0.3098 19 O -0.5920 -2.2599 -0.0981 O.3 2 UNL2 -0.2936 20 O -1.5773 4.4721 2.1338 O.3 4 UNL4 -0.1096 21 O -8.1005 0.6338 -0.4661 O.2 1 UNL1 -0.3594 22 O -10.3596 1.1285 -0.7968 O.2 1 UNL1 -0.3056 23 N -0.2598 -0.0204 2.3694 N.ar 1 UNL1 -0.4326 24 N -2.4401 -0.4220 1.7461 N.ar 1 UNL1 -0.4776 25 N 0.3030 -2.3949 2.8814 N.ar 1 UNL1 -0.3051 26 N -1.5023 -3.9923 2.3512 N.ar 1 UNL1 -0.3518 27 N -3.5754 -3.3026 1.4209 N.pl3 1 UNL1 -0.0818 28 N -0.4737 1.8469 -1.9612 N.am 4 UNL4 -0.5425 29 N -3.6602 2.9019 0.9616 N.1 3 UNL3 -0.3336 30 C 2.7469 1.7641 1.3184 C.3 1 UNL1 0.3889 31 C 1.3630 1.9153 1.9779 C.2 1 UNL1 0.3622 32 C 3.0156 0.3790 1.3165 C.2 1 UNL1 -0.3472 33 C 1.0043 0.5228 2.2404 C.3 1 UNL1 0.0987 34 C 3.9623 -0.3417 0.6666 C.1 1 UNL1 0.6662 35 C -0.4526 -1.4229 2.4697 C.ar 1 UNL1 0.2707 36 C -1.4439 0.6265 1.9131 C.ar 1 UNL1 0.5102 37 C -1.9273 -1.5844 1.9762 C.ar 1 UNL1 0.1645 38 C -0.8860 0.1895 -3.5140 C.2 4 UNL4 -0.7507 39 C 0.5420 0.3150 -3.4803 C.2 4 UNL4 0.5020 40 C 0.8197 -2.6995 -3.3200 C.3 2 UNL2 0.6904 41 C -1.5449 -0.8049 -4.2176 C.3 4 UNL4 0.0633 42 C -1.5580 1.0832 -2.6583 C.2 4 UNL4 0.3658 43 C -2.4455 -2.9649 1.8766 C.ar 1 UNL1 0.1941 44 C 0.8814 1.4592 -2.4580 C.2 4 UNL4 0.4550 45 C -0.3801 -3.5921 2.7359 C.ar 1 UNL1 0.3680 46 C -0.7280 2.5784 -0.9355 C.3 4 UNL4 0.5786 47 C -0.9901 3.2535 0.0775 C.1 4 UNL4 -0.5268 48 C -1.3236 3.8893 1.1818 C.1 4 UNL4 0.7225 49 C -4.2653 1.9936 0.5655 C.1 3 UNL3 0.2844 50 C -4.9677 0.9233 0.0900 C.1 3 UNL3 -0.1815 51 C -5.5579 -0.0471 -0.3306 C.1 3 UNL3 0.2484 52 C -9.2323 0.8800 -0.6317 C.1 1 UNL1 0.6645 @BOND 1 41 38 1 2 14 39 2 3 38 39 1 4 38 42 2 5 39 44 1 6 40 12 1 7 42 28 1 8 44 18 2 9 44 28 am 10 12 3 1 11 28 46 1 12 15 2 2 13 9 1 2 14 46 47 1 15 22 52 2 16 17 3 2 17 4 51 1 18 3 11 1 19 3 19 1 20 52 21 2 21 51 50 3 22 2 11 1 23 2 16 2 24 1 13 1 25 1 10 1 26 1 6 1 27 47 48 3 28 50 49 1 29 8 34 2 30 49 29 3 31 34 32 2 32 6 30 1 33 48 20 1 34 32 30 1 35 32 5 1 36 30 31 1 37 27 43 1 38 24 36 ar 39 24 37 ar 40 43 37 ar 41 43 26 ar 42 36 23 ar 43 37 35 ar 44 31 7 2 45 31 33 1 46 5 33 1 47 33 23 1 48 26 45 ar 49 23 35 ar 50 35 25 ar 51 45 25 ar