@MOLECULE (4ar,6r,7r,7ar)-6-[6-(butyrylamino)-8-thioxo-7,8-dihydro-9h-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.9638 1.1029 1.1408 C.3 1 UNL1 0.0227 2 C 3.0050 0.8236 -0.3889 C.3 1 UNL1 0.0649 3 C 1.8918 -0.2329 -0.5271 C.3 1 UNL1 0.0326 4 C 0.9602 0.1205 0.6940 C.3 1 UNL1 0.2546 5 C -2.8678 -1.7369 1.5566 C.ar 1 UNL1 0.2840 6 C 2.6266 -3.8123 -0.4295 C.3 1 UNL1 -0.3474 7 C 1.6994 -5.0306 -0.4952 C.3 1 UNL1 -0.2372 8 C -7.4515 0.9404 -0.5636 C.3 1 UNL1 -0.3649 9 C -8.8144 0.2491 -0.4221 C.3 1 UNL1 -0.2278 10 C 2.4595 -6.3080 -0.1504 C.3 1 UNL1 -0.4437 11 C -9.8996 1.0364 -1.1502 C.3 1 UNL1 -0.4432 12 H -2.6925 2.4432 -0.8946 H 1 UNL1 0.3434 13 H -4.9591 1.4128 -0.6873 H 1 UNL1 0.3142 14 C -3.9227 0.0128 0.4010 C.ar 1 UNL1 0.4370 15 O 0.9373 -2.4888 -1.5868 O.2 1 UNL1 -0.4903 16 O -6.6206 -0.7876 0.8990 O.2 1 UNL1 -0.3712 17 O 6.5409 1.5424 -1.1512 O.2 1 UNL1 -0.1923 18 C 3.7362 2.3880 1.3969 C.3 1 UNL1 -0.0652 19 O 5.9180 0.2433 1.0367 O.3 1 UNL1 -0.3792 20 C 1.8782 -2.5865 -0.8477 C.2 1 UNL1 0.6117 21 C -6.4053 0.1360 0.1714 C.2 1 UNL1 0.5791 22 O 2.4453 -1.5003 -0.2401 O.3 1 UNL1 -0.4219 23 C -0.7464 1.7303 -0.3977 C.ar 1 UNL1 0.4254 24 H 6.2916 -0.6339 0.6687 H 1 UNL1 0.3214 25 C -1.5190 -0.1328 0.6846 C.ar 1 UNL1 0.3295 26 C -2.6484 0.5850 0.1724 C.ar 1 UNL1 -0.1977 27 O 4.9351 2.4759 0.5729 O.3 1 UNL1 -0.2067 28 O 4.2776 0.3759 -0.8480 O.3 1 UNL1 -0.2727 29 O 1.5680 1.1830 1.4335 O.3 1 UNL1 -0.3899 30 N -5.0787 0.6048 -0.0859 N.am 1 UNL1 -0.5807 31 N -1.6033 -1.2830 1.3794 N.ar 1 UNL1 -0.4705 32 N -3.9946 -1.1490 1.0991 N.ar 1 UNL1 -0.4628 33 N -0.3677 0.5701 0.3076 N.ar 1 UNL1 -0.3811 34 N -2.1404 1.7197 -0.4785 N.ar 1 UNL1 -0.4048 35 S 0.1912 2.9025 -1.0820 S.2 1 UNL1 -0.4113 36 P 5.5212 1.1888 -0.1881 P.3 1 UNL1 0.3376 37 H 3.3515 0.2499 1.7541 H 1 UNL1 0.1601 38 H 2.7107 1.7246 -0.9961 H 1 UNL1 0.1801 39 H 3.0515 -3.6933 0.5901 H 1 UNL1 0.1785 40 H 3.5044 -3.9478 -1.0990 H 1 UNL1 0.1793 41 H 0.8420 -4.8950 0.1946 H 1 UNL1 0.1499 42 H 1.2501 -5.1105 -1.5075 H 1 UNL1 0.1567 43 H 3.2945 -6.4821 -0.8389 H 1 UNL1 0.1454 44 H 2.8691 -6.2750 0.8654 H 1 UNL1 0.1430 45 H 1.8040 -7.1856 -0.2091 H 1 UNL1 0.1475 46 H 3.1728 3.2972 1.0907 H 1 UNL1 0.1632 47 H 4.0705 2.4966 2.4462 H 1 UNL1 0.1416 48 H 1.3781 -0.2233 -1.5080 H 1 UNL1 0.1802 49 H 0.8597 -0.7545 1.3960 H 1 UNL1 0.1854 50 H -2.9930 -2.6782 2.1215 H 1 UNL1 0.2104 51 H -7.1954 1.0480 -1.6369 H 1 UNL1 0.1684 52 H -7.5033 1.9685 -0.1492 H 1 UNL1 0.1719 53 H -8.7577 -0.7858 -0.8164 H 1 UNL1 0.1517 54 H -9.0725 0.1356 0.6510 H 1 UNL1 0.1547 55 H -10.0109 2.0480 -0.7440 H 1 UNL1 0.1439 56 H -9.6866 1.1298 -2.2211 H 1 UNL1 0.1438 57 H -10.8747 0.5419 -1.0568 H 1 UNL1 0.1487 @BOND 1 56 11 1 2 51 8 1 3 15 20 2 4 48 3 1 5 42 7 1 6 17 36 2 7 11 57 1 8 11 55 1 9 11 9 1 10 40 6 1 11 35 23 2 12 38 2 1 13 12 34 1 14 28 2 1 15 28 36 1 16 20 6 1 17 20 22 1 18 43 10 1 19 53 9 1 20 13 30 1 21 8 9 1 22 8 52 1 23 8 21 1 24 3 2 1 25 3 22 1 26 3 4 1 27 7 6 1 28 7 10 1 29 7 41 1 30 34 23 ar 31 34 26 ar 32 6 39 1 33 9 54 1 34 23 33 ar 35 2 1 1 36 45 10 1 37 36 27 1 38 36 19 1 39 10 44 1 40 30 21 am 41 30 14 1 42 21 16 2 43 26 14 ar 44 26 25 ar 45 33 25 ar 46 33 4 1 47 14 32 ar 48 27 18 1 49 24 19 1 50 25 31 ar 51 4 49 1 52 4 29 1 53 46 18 1 54 32 5 ar 55 1 18 1 56 1 29 1 57 1 37 1 58 31 5 ar 59 18 47 1 60 5 50 1