@MOLECULE [(2r,3s,4r,5r)-5-(2-amino-8-anilino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate 76 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P1 2.5873 -1.3387 1.6965 P.3 1 <1> 0.3537 2 O1 -2.0020 -0.1359 2.4769 O.3 1 <1> -0.4392 3 O2 3.6797 1.5137 -1.6260 O.3 1 <1> -0.4312 4 O3 3.5039 -0.3519 0.8574 O.3 1 <1> -0.2961 5 O4 -3.6553 -2.9892 1.3940 O.3 1 <1> -0.5485 6 O5 -1.6342 -3.1521 3.0044 O.3 1 <1> -0.5645 7 O6 1.1237 -1.2912 1.0590 O.3 1 <1> -0.2461 8 O7 0.9173 2.5691 0.4125 O.3 1 <1> -0.6045 9 O8 2.3480 -0.6473 3.1162 O.3 1 <1> -0.4001 10 O9 3.1355 -2.6774 1.6120 O.2 1 <1> -0.1888 11 O10 7.6172 1.4390 -1.1389 O.2 1 <1> -0.5010 12 O11 -4.3528 4.2692 -1.4891 O.2 1 <1> -0.3677 13 N1 -3.4561 0.2584 0.6977 N.ar 1 <1> -0.4540 14 N2 5.6668 0.3065 -1.4093 N.ar 1 <1> -0.5163 15 N3 -4.8542 1.3071 -0.7937 N.ar 1 <1> -0.3414 16 N4 -1.9709 2.2267 1.1831 N.ar 1 <1> -0.5351 17 N5 -5.3562 -1.0219 -0.1938 N.pl3 1 <1> -0.4884 18 N6 -2.6666 4.2477 0.0366 N.ar 1 <1> -0.6202 19 N7 7.8046 -0.7761 -1.7474 N.ar 1 <1> -0.6313 20 N8 -0.9944 4.3249 1.6983 N.pl3 1 <1> -0.6028 21 N9 7.9060 -3.0014 -2.3148 N.pl3 1 <1> -0.5892 22 C1 -2.6517 -2.0495 1.1719 C.3 1 <1> 0.0634 23 C2 -1.3125 -2.3516 1.8890 C.3 1 <1> 0.0684 24 C3 -3.0925 -0.6729 1.7666 C.3 1 <1> 0.2501 25 C4 -0.8443 -0.9732 2.3861 C.3 1 <1> 0.0492 26 C5 3.2970 1.0595 0.7018 C.3 1 <1> 0.1083 27 C6 2.6370 1.3179 -0.6738 C.3 1 <1> 0.0270 28 C7 4.7348 1.5804 0.5140 C.3 1 <1> -0.3815 29 C8 4.9523 1.5346 -1.0083 C.3 1 <1> 0.3183 30 C9 0.1336 -0.3113 1.4000 C.3 1 <1> -0.0730 31 C10 -3.0530 1.5902 0.5827 C.ar 1 <1> 0.2115 32 C11 1.8275 2.6283 -0.6631 C.3 1 <1> -0.0144 33 C12 -4.6224 0.1520 -0.1556 C.ar 1 <1> 0.4067 34 C13 -3.8947 2.2088 -0.3569 C.ar 1 <1> -0.1387 35 C14 5.0040 -0.8561 -1.6706 C.ar 1 <1> 0.2315 36 C15 7.1327 0.3692 -1.4255 C.ar 1 <1> 0.7147 37 C16 -3.7274 3.6266 -0.6931 C.ar 1 <1> 0.6127 38 C17 -1.9341 3.6341 0.9208 C.ar 1 <1> 0.5568 39 C18 -6.0411 -1.4437 -1.3658 C.ar 1 <1> 0.2101 40 C19 5.7032 -1.9961 -1.9921 C.ar 1 <1> -0.5017 41 C20 7.1337 -1.9125 -2.0170 C.ar 1 <1> 0.5128 42 C21 -6.2218 -2.8293 -1.5231 C.ar 1 <1> -0.2510 43 C22 -6.5913 -0.5478 -2.2890 C.ar 1 <1> -0.1984 44 C23 -6.9551 -3.3036 -2.6048 C.ar 1 <1> -0.1050 45 C24 -7.3143 -1.0443 -3.3692 C.ar 1 <1> -0.1021 46 C25 -7.4994 -2.4162 -3.5320 C.ar 1 <1> -0.1968 47 H1 -2.5377 -2.0259 0.0640 H 1 <1> 0.1732 48 H2 -0.5840 -2.8761 1.2366 H 1 <1> 0.1672 49 H3 -3.9249 -0.7575 2.5133 H 1 <1> 0.1730 50 H4 -0.4652 -0.9996 3.4323 H 1 <1> 0.1797 51 H5 2.7639 1.5571 1.5392 H 1 <1> 0.1580 52 H6 2.0443 0.4634 -1.0584 H 1 <1> 0.1609 53 H7 4.8533 2.6016 0.9107 H 1 <1> 0.1697 54 H8 5.4759 0.9599 1.0568 H 1 <1> 0.1945 55 H9 5.4803 2.4229 -1.4411 H 1 <1> 0.1795 56 H10 -0.3491 -0.1321 0.4119 H 1 <1> 0.1462 57 H11 0.4975 0.6576 1.7947 H 1 <1> 0.1544 58 H12 2.4633 3.5037 -0.4333 H 1 <1> 0.1492 59 H13 1.3050 2.8013 -1.6187 H 1 <1> 0.1385 60 H14 -3.5525 -3.4201 2.2816 H 1 <1> 0.3619 61 H15 -0.8735 -3.7162 3.2582 H 1 <1> 0.3431 62 H16 -1.6204 1.8468 2.0617 H 1 <1> 0.3418 63 H17 -5.0301 -1.7763 0.4155 H 1 <1> 0.3281 64 H18 3.9043 -0.8478 -1.6273 H 1 <1> 0.1831 65 H19 0.0660 2.1594 0.1543 H 1 <1> 0.3403 66 H20 3.1959 -0.7397 3.6801 H 1 <1> 0.3314 67 H21 5.1938 -2.9252 -2.1986 H 1 <1> 0.1869 68 H22 -0.9301 5.3168 1.4882 H 1 <1> 0.3140 69 H23 -0.0873 3.8849 1.7838 H 1 <1> 0.3078 70 H24 -5.7968 -3.5284 -0.8069 H 1 <1> 0.1595 71 H25 -6.4672 0.5345 -2.1693 H 1 <1> 0.2101 72 H26 7.4993 -3.8809 -2.5357 H 1 <1> 0.3097 73 H27 8.9053 -2.9167 -2.3313 H 1 <1> 0.3245 74 H28 -7.1015 -4.3753 -2.7280 H 1 <1> 0.1452 75 H29 -7.7419 -0.3485 -4.0913 H 1 <1> 0.1536 76 H30 -8.0673 -2.7936 -4.3777 H 1 <1> 0.1489 @BOND 1 76 46 1 2 75 45 1 3 46 45 ar 4 46 44 ar 5 45 43 ar 6 74 44 1 7 44 42 ar 8 72 21 1 9 73 21 1 10 21 41 1 11 43 71 1 12 43 39 ar 13 67 40 1 14 41 40 ar 15 41 19 ar 16 40 35 ar 17 19 36 ar 18 35 64 1 19 35 14 ar 20 3 29 1 21 3 27 1 22 59 32 1 23 42 39 ar 24 42 70 1 25 12 37 2 26 55 29 1 27 36 14 ar 28 36 11 2 29 14 29 1 30 39 17 1 31 52 27 1 32 29 28 1 33 15 34 ar 34 15 33 ar 35 37 34 ar 36 37 18 ar 37 27 32 1 38 27 26 1 39 32 58 1 40 32 8 1 41 34 31 ar 42 17 33 1 43 17 63 1 44 33 13 ar 45 18 38 ar 46 47 22 1 47 65 8 1 48 56 30 1 49 28 26 1 50 28 53 1 51 28 54 1 52 31 13 ar 53 31 16 ar 54 13 24 1 55 26 4 1 56 26 51 1 57 4 1 1 58 38 16 ar 59 38 20 1 60 7 30 1 61 7 1 1 62 22 5 1 63 22 24 1 64 22 23 1 65 16 62 1 66 48 23 1 67 5 60 1 68 30 57 1 69 30 25 1 70 68 20 1 71 10 1 2 72 1 9 1 73 20 69 1 74 24 2 1 75 24 49 1 76 23 25 1 77 23 6 1 78 25 2 1 79 25 50 1 80 6 61 1 81 9 66 1