@MOLECULE 2-aminoethyl [(2s,5r)-5-(4-amino-2-oxo-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.6582 1.4086 0.7727 P.3 1 UNL1 0.3390 2 P 2.8052 -1.5629 0.1230 P.3 1 UNL1 0.3462 3 O -1.0929 1.4697 -1.2460 O.3 1 UNL1 -0.4260 4 O 1.4872 1.7683 -0.2606 O.3 1 UNL1 -0.1874 5 O 2.6802 -0.1705 0.8798 O.3 1 UNL1 -0.1250 6 O -4.8755 0.4540 -0.5977 O.2 1 UNL1 -0.4931 7 O 3.8939 1.8383 -0.1462 O.3 1 UNL1 -0.3591 8 O 2.6136 1.9077 2.1387 O.2 1 UNL1 -0.2859 9 O 1.6618 -1.4752 -0.9835 O.3 1 UNL1 -0.2983 10 O 4.1458 -1.5392 -0.7304 O.3 1 UNL1 -0.3485 11 O 2.7976 -2.5797 1.1580 O.2 1 UNL1 -0.1982 12 N -2.7067 0.4247 0.0761 N.ar 1 UNL1 -0.5317 13 N -4.3015 -1.1897 0.9132 N.ar 1 UNL1 -0.6324 14 N -3.6478 -2.8210 2.3909 N.pl3 1 UNL1 -0.5876 15 N -1.0424 -3.0869 -2.7367 N.3 1 UNL1 -0.6444 16 C -0.4611 2.7333 -1.0473 C.3 1 UNL1 0.1082 17 C -1.5895 3.7617 -0.8451 C.3 1 UNL1 -0.3207 18 C -2.7446 2.9142 -0.2930 C.3 1 UNL1 -0.3249 19 C -2.4581 1.5176 -0.8823 C.3 1 UNL1 0.3003 20 C 0.4502 2.6762 0.1936 C.3 1 UNL1 -0.0826 21 C -1.7018 -0.1466 0.8028 C.ar 1 UNL1 0.2106 22 C -4.0723 -0.1124 0.1047 C.ar 1 UNL1 0.7069 23 C -1.9640 -1.2253 1.6136 C.ar 1 UNL1 -0.4965 24 C -3.3046 -1.7321 1.6377 C.ar 1 UNL1 0.5021 25 C 0.9314 -2.6563 -1.3971 C.3 1 UNL1 0.0012 26 C -0.1006 -2.0099 -2.3576 C.3 1 UNL1 -0.1407 27 H 0.1306 2.8730 -1.9766 H 1 UNL1 0.1546 28 H -1.3093 4.5866 -0.1729 H 1 UNL1 0.1536 29 H -1.8694 4.2336 -1.8017 H 1 UNL1 0.1537 30 H -3.7362 3.2856 -0.6033 H 1 UNL1 0.1707 31 H -2.7641 2.8996 0.8070 H 1 UNL1 0.1617 32 H -3.0234 1.3062 -1.8288 H 1 UNL1 0.1650 33 H -0.1073 2.2926 1.0718 H 1 UNL1 0.1442 34 H 0.8418 3.6884 0.4259 H 1 UNL1 0.1352 35 H -0.6833 0.2695 0.7028 H 1 UNL1 0.2081 36 H -1.1757 -1.6888 2.1930 H 1 UNL1 0.1989 37 H 4.7524 1.6788 0.3960 H 1 UNL1 0.3200 38 H -2.9968 -3.2435 3.0132 H 1 UNL1 0.3105 39 H -4.5986 -3.1446 2.3961 H 1 UNL1 0.3240 40 H 1.5759 -3.3759 -1.9334 H 1 UNL1 0.1288 41 H 0.4173 -3.1733 -0.5642 H 1 UNL1 0.1369 42 H 0.4182 -1.5922 -3.2420 H 1 UNL1 0.1377 43 H -0.6015 -1.1553 -1.8512 H 1 UNL1 0.1435 44 H 4.0259 -0.9095 -1.5332 H 1 UNL1 0.3206 45 H -1.8821 -3.0361 -2.1879 H 1 UNL1 0.2511 46 H -1.2826 -3.0541 -3.7108 H 1 UNL1 0.2494 @BOND 1 46 15 1 2 42 26 1 3 15 26 1 4 15 45 1 5 26 43 1 6 26 25 1 7 27 16 1 8 40 25 1 9 32 19 1 10 29 17 1 11 44 10 1 12 25 9 1 13 25 41 1 14 3 16 1 15 3 19 1 16 16 17 1 17 16 20 1 18 9 2 1 19 19 18 1 20 19 12 1 21 17 18 1 22 17 28 1 23 10 2 1 24 30 18 1 25 6 22 2 26 18 31 1 27 4 20 1 28 4 1 1 29 7 37 1 30 7 1 1 31 12 22 ar 32 12 21 ar 33 22 13 ar 34 2 5 1 35 2 11 2 36 20 34 1 37 20 33 1 38 35 21 1 39 1 5 1 40 1 8 2 41 21 23 ar 42 13 24 ar 43 23 24 ar 44 23 36 1 45 24 14 1 46 14 39 1 47 14 38 1