@MOLECULE [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-1(2h)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosphate 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.4675 1.9867 0.6620 P.3 1 UNL1 0.3372 2 O -0.4204 -1.4693 0.2992 O.3 1 UNL1 -0.4428 3 O -0.0568 1.4202 -0.4489 O.3 1 UNL1 -0.4089 4 O -2.3937 -3.6795 0.6672 O.3 1 UNL1 -0.5468 5 O -0.3584 -4.3051 2.1808 O.3 1 UNL1 -0.5093 6 O -3.2373 0.4516 1.0660 O.3 1 UNL1 -0.2926 7 O -2.6048 2.0676 -0.6929 O.3 1 UNL1 -0.3326 8 O 1.8616 3.9447 -0.6568 O.3 1 UNL1 -0.5238 9 O -4.9410 1.8214 0.0836 O.3 1 UNL1 -0.2615 10 O -3.3425 3.0314 1.6565 O.2 1 UNL1 -0.2200 11 O 2.1845 -1.2566 -2.1714 O.2 1 UNL1 -0.5933 12 O 4.0035 2.4644 1.8154 O.2 1 UNL1 -0.4089 13 N 1.2197 -1.2621 1.9069 N.ar 1 UNL1 -0.3721 14 N 0.2287 -0.0966 -2.1606 N.ar 1 UNL1 -0.4740 15 N 3.1182 -1.2459 0.2763 N.ar 1 UNL1 -0.4990 16 N 1.6967 0.7242 2.9268 N.ar 1 UNL1 -0.2618 17 N 4.4014 0.8131 0.3123 N.ar 1 UNL1 -0.6493 18 N 0.2925 -2.4978 -2.5189 N.ar 1 UNL1 -0.6161 19 N 4.8489 -0.8561 -1.2842 N.pl3 1 UNL1 -0.5806 20 N -1.6750 -3.6930 -2.6533 N.pl3 1 UNL1 -0.5912 21 C -2.0421 -2.6249 1.5303 C.3 1 UNL1 0.0562 22 C -0.6593 -2.9452 2.1756 C.3 1 UNL1 0.0519 23 C -1.7751 -1.3399 0.7297 C.3 1 UNL1 0.0188 24 C 0.3452 -2.2094 1.2384 C.3 1 UNL1 0.2209 25 C -0.2806 2.8243 -0.4722 C.3 1 UNL1 0.0070 26 C 0.7991 3.4338 -1.4021 C.3 1 UNL1 0.1303 27 C 1.2285 2.2448 -2.2856 C.3 1 UNL1 -0.4058 28 C 0.8754 1.0209 -1.4360 C.3 1 UNL1 0.2897 29 C -1.9653 -0.0394 1.5248 C.3 1 UNL1 -0.0486 30 C -1.6953 3.1270 -0.9937 C.3 1 UNL1 -0.0338 31 C 2.3414 -0.7116 1.2797 C.ar 1 UNL1 0.2461 32 C 0.8572 -0.3035 2.9070 C.ar 1 UNL1 0.0775 33 C 2.6256 0.5155 1.9180 C.ar 1 UNL1 -0.1921 34 C -1.1211 -0.0849 -2.3763 C.ar 1 UNL1 0.2350 35 C 0.9754 -1.3342 -2.2867 C.ar 1 UNL1 0.7380 36 C 3.7181 1.3611 1.4302 C.ar 1 UNL1 0.6129 37 C 4.1199 -0.3548 -0.2151 C.ar 1 UNL1 0.5901 38 C -1.7921 -1.2463 -2.6872 C.ar 1 UNL1 -0.5023 39 C -1.0457 -2.4658 -2.6501 C.ar 1 UNL1 0.4968 40 H -2.8796 -2.5754 2.2504 H 1 UNL1 0.1724 41 H -0.5814 -2.6391 3.2378 H 1 UNL1 0.1660 42 H -2.3513 -1.3081 -0.2264 H 1 UNL1 0.1789 43 H 0.9464 -2.9308 0.6268 H 1 UNL1 0.1752 44 H -0.1419 3.1288 0.5924 H 1 UNL1 0.1831 45 H 0.4591 4.3161 -1.9805 H 1 UNL1 0.1517 46 H 0.7204 2.2479 -3.2617 H 1 UNL1 0.1671 47 H 2.3121 2.2901 -2.5113 H 1 UNL1 0.1933 48 H 1.7569 0.6176 -0.8747 H 1 UNL1 0.1646 49 H -1.0797 0.6220 1.3813 H 1 UNL1 0.1813 50 H -2.1086 -0.2116 2.6118 H 1 UNL1 0.1371 51 H -2.0156 4.1387 -0.6678 H 1 UNL1 0.1457 52 H -1.7433 3.0925 -2.1067 H 1 UNL1 0.1284 53 H -1.9626 -3.5741 -0.2155 H 1 UNL1 0.3372 54 H -0.9084 -4.7824 1.5070 H 1 UNL1 0.3394 55 H 0.0359 -0.4652 3.5807 H 1 UNL1 0.1881 56 H 2.2830 3.2498 -0.0938 H 1 UNL1 0.3414 57 H 2.7818 -2.0146 -0.3006 H 1 UNL1 0.3461 58 H -1.6423 0.8837 -2.2915 H 1 UNL1 0.2012 59 H -2.8487 -1.2412 -2.9132 H 1 UNL1 0.1901 60 H -4.9634 0.9912 -0.5269 H 1 UNL1 0.3067 61 H 4.3354 -1.3931 -1.9698 H 1 UNL1 0.3216 62 H 5.5549 -0.2404 -1.6632 H 1 UNL1 0.3183 63 H -1.1040 -4.5203 -2.7480 H 1 UNL1 0.3189 64 H -2.6110 -3.7658 -3.0008 H 1 UNL1 0.3051 @BOND 1 46 27 1 2 64 20 1 3 59 38 1 4 63 20 1 5 38 39 ar 6 38 34 ar 7 20 39 1 8 39 18 ar 9 18 35 ar 10 47 27 1 11 34 58 1 12 34 14 ar 13 35 11 2 14 35 14 ar 15 27 28 1 16 27 26 1 17 14 28 1 18 52 30 1 19 45 26 1 20 61 19 1 21 62 19 1 22 28 48 1 23 28 3 1 24 26 8 1 25 26 25 1 26 19 37 1 27 30 7 1 28 30 51 1 29 30 25 1 30 7 1 1 31 8 56 1 32 60 9 1 33 25 3 1 34 25 44 1 35 57 15 1 36 42 23 1 37 53 4 1 38 37 15 ar 39 37 17 ar 40 9 1 1 41 15 31 ar 42 2 23 1 43 2 24 1 44 17 36 ar 45 43 24 1 46 1 6 1 47 1 10 2 48 4 21 1 49 23 29 1 50 23 21 1 51 6 29 1 52 24 13 1 53 24 22 1 54 31 13 ar 55 31 33 ar 56 49 29 1 57 36 12 2 58 36 33 ar 59 54 5 1 60 29 50 1 61 21 22 1 62 21 40 1 63 13 32 ar 64 33 16 ar 65 22 5 1 66 22 41 1 67 32 16 ar 68 32 55 1