@MOLECULE 2-amino-9-{6-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-6-deoxy-5-o-phosphono-beta-d-allofuranosyl}-3,9-dihydro-6h-purin-6-one 47 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.2019 -0.5719 2.2500 P.3 1 UNL1 0.3455 2 P 5.7511 1.4413 0.4213 P.3 1 UNL1 0.3725 3 O 3.8534 -3.0773 -0.2564 O.2 1 UNL1 -0.3141 4 O -2.7643 3.6255 1.2921 O.2 1 UNL1 -0.3066 5 O -0.0678 0.6661 1.2997 O.2 1 UNL1 -0.3036 6 O 5.1789 -0.0359 -0.5553 O.3 1 UNL1 -0.1199 7 O 0.3856 3.9831 -0.8374 O.2 1 UNL1 -0.2462 8 O 2.9942 -0.9194 -2.6224 O.2 1 UNL1 -0.2321 9 O -2.3725 4.3035 -1.9018 O.2 1 UNL1 -0.2321 10 O 1.6931 -0.6867 2.8126 O.3 1 UNL1 0.0233 11 O 1.2740 -1.5746 1.5946 O.3 1 UNL1 -0.1705 12 O 6.1795 0.8214 1.6471 O.3 1 UNL1 -0.1943 13 O 6.3397 2.2447 -0.6169 O.2 1 UNL1 -0.1885 14 O -1.2526 -1.0722 2.7782 O.3 1 UNL1 0.2453 15 O 4.1586 1.9295 0.6161 O.2 1 UNL1 -0.2525 16 O -2.9744 -3.2423 -1.6151 O.2 1 UNL1 -0.1927 17 O -6.3584 -1.7258 0.2756 O.2 1 UNL1 -0.2409 18 N 1.6722 -2.9616 -0.8868 N.ar 1 UNL1 -0.6112 19 N -3.8075 2.1946 -0.1720 N.ar 1 UNL1 -0.6297 20 N -0.1800 -4.3559 -0.8134 N.ar 1 UNL1 -0.4218 21 N 0.4090 -0.9224 -1.3970 N.2 1 UNL1 -0.4841 22 N -5.6701 1.0478 -0.9086 N.ar 1 UNL1 -0.4234 23 N -2.9182 0.3536 1.1975 N.2 1 UNL1 -0.4679 24 N -2.0208 -1.1766 -1.4367 N.am 1 UNL1 -0.5397 25 N -4.2947 -1.6678 1.2519 N.am 1 UNL1 -0.4909 26 N -1.0420 0.9676 -1.4808 N.2 1 UNL1 -0.3197 27 N -2.1189 -1.7139 2.1549 N.4 1 UNL1 -0.1916 28 C 3.2566 1.0962 0.0803 C.2 1 UNL1 0.2836 29 C -0.3243 1.7158 -0.7221 C.2 1 UNL1 0.1783 30 C 0.6632 1.2312 0.2882 C.2 1 UNL1 0.2664 31 C 1.9584 1.2449 0.1701 C.1 1 UNL1 -0.3052 32 C 3.9385 -0.0460 -0.6398 C.3 1 UNL1 0.2785 33 C -0.5225 3.2093 -0.8487 C.2 1 UNL1 0.3387 34 C 3.2538 -1.0932 -1.4693 C.2 1 UNL1 0.2940 35 C -1.9752 3.6569 -0.9839 C.2 1 UNL1 0.2796 36 C 2.9906 -2.4447 -0.7893 C.2 1 UNL1 0.5071 37 C -2.8608 3.2111 0.1790 C.2 1 UNL1 0.5150 38 C 0.5282 -2.1810 -1.1875 C.ar 1 UNL1 0.2932 39 C -3.7939 0.9177 0.4511 C.ar 1 UNL1 0.3184 40 C 1.2859 -4.3251 -0.6176 C.ar 1 UNL1 0.6132 41 C -4.9144 2.3079 -1.0582 C.ar 1 UNL1 0.5636 42 C -0.6312 -3.1962 -1.1134 C.ar 1 UNL1 0.0622 43 C -5.0819 0.2595 -0.0874 C.ar 1 UNL1 0.0450 44 C -1.9868 -2.6076 -1.4118 C.2 1 UNL1 0.5204 45 C -5.3478 -1.1191 0.4661 C.2 1 UNL1 0.5329 46 C -0.9568 -0.4368 -1.4449 C.1 1 UNL1 0.5540 47 C -3.2103 -1.0195 1.5461 C.1 1 UNL1 0.4485 @BOND 1 8 34 2 2 9 35 2 3 16 44 2 4 26 46 1 5 26 29 2 6 34 36 1 7 34 32 1 8 46 24 2 9 46 21 2 10 24 44 1 11 44 42 1 12 21 38 1 13 38 42 ar 14 38 18 ar 15 42 20 ar 16 41 22 ar 17 41 19 ar 18 35 33 1 19 35 37 1 20 22 43 ar 21 18 36 am 22 18 40 ar 23 33 7 2 24 33 29 1 25 20 40 ar 26 36 3 2 27 29 30 1 28 32 6 1 29 32 28 1 30 13 2 2 31 6 2 1 32 19 37 am 33 19 39 ar 34 43 39 ar 35 43 45 1 36 28 31 2 37 28 15 1 38 31 30 2 39 37 4 2 40 17 45 2 41 30 5 1 42 2 15 1 43 2 12 1 44 39 23 1 45 45 25 1 46 23 47 2 47 25 47 2 48 5 1 1 49 47 27 1 50 11 1 1 51 11 10 1 52 27 14 1 53 1 14 1 54 1 10 1