@MOLECULE {(3ar,4r,6r,6ar)-6-[2-(butyrylamino)-6-oxo-3,6-dihydro-9h-purin-9-yl]-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl}methyl butyrate 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.8182 -3.3207 0.4530 P.3 1 UNL1 0.3732 2 O -1.7973 -0.3749 -0.7812 O.3 1 UNL1 -0.3826 3 O 0.8621 -1.7944 1.0236 O.3 1 UNL1 -0.3006 4 O -0.7176 -3.3308 -0.0792 O.3 1 UNL1 -0.2123 5 O -4.5439 -0.6268 -0.6185 O.3 1 UNL1 -0.4176 6 O 0.6567 -4.2026 1.7634 O.3 1 UNL1 -0.3485 7 O 1.8816 -3.6343 -0.4703 O.2 1 UNL1 -0.1877 8 O 1.6856 5.2306 1.0619 O.2 1 UNL1 -0.3776 9 O -6.0516 -0.2961 1.0066 O.2 1 UNL1 -0.5097 10 O 4.0667 -0.3564 -0.7169 O.2 1 UNL1 -0.4973 11 N -0.3615 1.1495 0.2207 N.ar 1 UNL1 -0.3647 12 N 2.1228 1.2854 -0.0392 N.ar 1 UNL1 -0.5015 13 N -0.7468 3.3039 0.8095 N.ar 1 UNL1 -0.2798 14 N 2.9953 3.4838 0.4213 N.ar 1 UNL1 -0.6332 15 N 4.4814 1.8155 -0.1936 N.am 1 UNL1 -0.5988 16 C -0.4356 -1.2155 1.0204 C.3 1 UNL1 0.0339 17 C -1.4690 -2.3109 0.6202 C.3 1 UNL1 0.0096 18 C -0.5216 -0.2300 -0.1933 C.3 1 UNL1 0.2322 19 C -2.4118 -1.5995 -0.3651 C.3 1 UNL1 0.0578 20 C -3.7011 -1.2157 0.3695 C.3 1 UNL1 -0.0643 21 C 0.8682 1.7959 0.2430 C.ar 1 UNL1 0.2183 22 C -1.3284 2.1302 0.5699 C.ar 1 UNL1 0.1070 23 C 0.6152 3.1361 0.6167 C.ar 1 UNL1 -0.1651 24 C 1.7276 4.0770 0.7388 C.ar 1 UNL1 0.6213 25 C -5.7270 -0.1380 -0.1413 C.2 1 UNL1 0.6049 26 C 3.1586 2.2309 0.0820 C.ar 1 UNL1 0.5928 27 C -6.4594 0.5695 -1.2330 C.3 1 UNL1 -0.3511 28 C -7.8186 1.0603 -0.7229 C.3 1 UNL1 -0.2346 29 C 4.8832 0.5268 -0.5895 C.2 1 UNL1 0.6098 30 C -8.5813 1.7693 -1.8378 C.3 1 UNL1 -0.4381 31 C 6.3651 0.3612 -0.8159 C.3 1 UNL1 -0.3600 32 C 6.6815 -1.0819 -1.2383 C.3 1 UNL1 -0.2291 33 C 8.1756 -1.2749 -1.4919 C.3 1 UNL1 -0.4436 34 H -0.5723 -0.7367 2.0081 H 1 UNL1 0.1692 35 H -2.0107 -2.8041 1.4585 H 1 UNL1 0.1623 36 H 0.2228 -0.4533 -1.0080 H 1 UNL1 0.1751 37 H -2.5956 -2.1562 -1.3099 H 1 UNL1 0.1798 38 H -3.5160 -0.4687 1.1647 H 1 UNL1 0.1498 39 H -4.2178 -2.0940 0.7989 H 1 UNL1 0.1465 40 H -2.3802 1.9032 0.6169 H 1 UNL1 0.2000 41 H 1.5889 -4.4734 2.0910 H 1 UNL1 0.3245 42 H 2.3048 0.2889 -0.1883 H 1 UNL1 0.3746 43 H -5.8478 1.4227 -1.6055 H 1 UNL1 0.1877 44 H -6.5838 -0.0987 -2.1117 H 1 UNL1 0.1791 45 H 5.1743 2.5680 -0.0995 H 1 UNL1 0.3496 46 H -7.6780 1.7389 0.1434 H 1 UNL1 0.1531 47 H -8.4099 0.2103 -0.3278 H 1 UNL1 0.1485 48 H -8.0465 2.6613 -2.1874 H 1 UNL1 0.1472 49 H -8.7356 1.1154 -2.7033 H 1 UNL1 0.1441 50 H -9.5699 2.0961 -1.4940 H 1 UNL1 0.1477 51 H 6.7228 1.0639 -1.5978 H 1 UNL1 0.1761 52 H 6.9313 0.6163 0.1040 H 1 UNL1 0.1749 53 H 6.1066 -1.3429 -2.1512 H 1 UNL1 0.1548 54 H 6.3267 -1.7925 -0.4646 H 1 UNL1 0.1544 55 H 8.5403 -0.6283 -2.2984 H 1 UNL1 0.1450 56 H 8.3922 -2.3115 -1.7917 H 1 UNL1 0.1487 57 H 8.7777 -1.0635 -0.6012 H 1 UNL1 0.1442 @BOND 1 49 30 1 2 55 33 1 3 48 30 1 4 53 32 1 5 44 27 1 6 30 50 1 7 30 28 1 8 56 33 1 9 43 27 1 10 51 31 1 11 33 32 1 12 33 57 1 13 37 19 1 14 32 31 1 15 32 54 1 16 27 28 1 17 27 25 1 18 36 18 1 19 31 29 1 20 31 52 1 21 2 19 1 22 2 18 1 23 28 47 1 24 28 46 1 25 10 29 2 26 5 25 1 27 5 20 1 28 29 15 am 29 7 1 2 30 19 20 1 31 19 17 1 32 15 45 1 33 15 26 1 34 18 11 1 35 18 16 1 36 42 12 1 37 25 9 2 38 4 1 1 39 4 17 1 40 12 26 ar 41 12 21 ar 42 26 14 ar 43 11 21 ar 44 11 22 ar 45 21 23 ar 46 20 39 1 47 20 38 1 48 14 24 ar 49 1 3 1 50 1 6 1 51 22 40 1 52 22 13 ar 53 23 24 ar 54 23 13 ar 55 17 16 1 56 17 35 1 57 24 8 2 58 16 3 1 59 16 34 1 60 6 41 1