@MOLECULE [[(2R,3S,4R,5R)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-aminopropanoate 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -1.3724 -2.4746 -0.5914 P.3 1 UNL1 0.3564 2 O 2.5407 -0.4368 -1.0576 O.3 1 UNL1 -0.3246 3 O 4.9371 0.4842 1.1567 O.3 1 UNL1 -0.5274 4 O 4.6414 -2.0211 0.4065 O.3 1 UNL1 -0.5351 5 O 0.1636 -2.1153 -0.7212 O.3 1 UNL1 -0.1233 6 O -2.0022 -1.0554 -0.0972 O.3 1 UNL1 -0.3915 7 O -1.4731 -3.4401 0.6610 O.3 1 UNL1 -0.3764 8 O -1.8930 -2.8903 -1.8744 O.2 1 UNL1 -0.1707 9 O -3.4962 -1.8070 1.4206 O.2 1 UNL1 -0.5835 10 N 1.9712 1.6083 -0.0975 N.ar 1 UNL1 -0.4006 11 N 0.8189 3.3476 0.8192 N.ar 1 UNL1 -0.3358 12 N 0.2918 0.9357 -1.8150 N.ar 1 UNL1 -0.4595 13 N -1.7389 2.2456 -1.7021 N.ar 1 UNL1 -0.5852 14 N -2.0349 4.0479 -0.2447 N.pl3 1 UNL1 -0.5620 15 N -4.6816 0.7679 1.4744 N.3 1 UNL1 -0.6236 16 C 3.6115 0.0764 1.0199 C.3 1 UNL1 0.0287 17 C 3.4340 -1.4619 0.8563 C.3 1 UNL1 0.0511 18 C 3.0520 0.6475 -0.3249 C.3 1 UNL1 0.2257 19 C 2.3335 -1.5711 -0.2164 C.3 1 UNL1 0.0114 20 C 0.9239 -1.5825 0.3943 C.3 1 UNL1 -0.0901 21 C 0.7690 1.6846 -0.7912 C.ar 1 UNL1 0.3122 22 C 1.9543 2.6580 0.8610 C.ar 1 UNL1 0.1131 23 C 0.0470 2.7742 -0.1878 C.ar 1 UNL1 -0.2282 24 C -1.2491 3.0386 -0.7060 C.ar 1 UNL1 0.4622 25 C -0.9584 1.2478 -2.2014 C.ar 1 UNL1 0.3105 26 C -2.9787 -0.9037 0.7982 C.2 1 UNL1 0.6012 27 C -3.3252 0.5854 0.9505 C.3 1 UNL1 0.0158 28 C -2.2967 1.1745 1.9192 C.3 1 UNL1 -0.4593 29 H 3.0906 0.4696 1.9168 H 1 UNL1 0.1597 30 H 3.2373 -1.9948 1.8054 H 1 UNL1 0.1681 31 H 3.8364 1.1093 -0.9769 H 1 UNL1 0.1755 32 H 2.4714 -2.4265 -0.9214 H 1 UNL1 0.1883 33 H 0.5918 -0.5569 0.6505 H 1 UNL1 0.1487 34 H 0.8838 -2.2256 1.2958 H 1 UNL1 0.1455 35 H 5.5561 -0.2683 0.9759 H 1 UNL1 0.3447 36 H 4.7758 -1.8450 -0.5549 H 1 UNL1 0.3313 37 H 2.7919 2.8487 1.5159 H 1 UNL1 0.2022 38 H -1.4042 0.6350 -3.0076 H 1 UNL1 0.2126 39 H -1.7050 4.6447 0.4876 H 1 UNL1 0.3249 40 H -2.9518 4.1940 -0.6206 H 1 UNL1 0.3251 41 H -2.3968 -3.2960 1.1140 H 1 UNL1 0.3622 42 H -3.2599 1.0960 -0.0531 H 1 UNL1 0.1933 43 H -2.2698 0.6397 2.8750 H 1 UNL1 0.1547 44 H -1.2867 1.1579 1.4908 H 1 UNL1 0.1595 45 H -2.5397 2.2234 2.1445 H 1 UNL1 0.1725 46 H -4.8092 0.3239 2.3720 H 1 UNL1 0.2614 47 H -5.3870 0.4286 0.8387 H 1 UNL1 0.2584 @BOND 1 38 25 1 2 25 12 ar 3 25 13 ar 4 8 1 2 5 12 21 ar 6 13 24 ar 7 2 18 1 8 2 19 1 9 31 18 1 10 32 19 1 11 21 23 ar 12 21 10 ar 13 5 1 1 14 5 20 1 15 24 14 1 16 24 23 ar 17 40 14 1 18 1 6 1 19 1 7 1 20 36 4 1 21 18 10 1 22 18 16 1 23 14 39 1 24 19 20 1 25 19 17 1 26 23 11 ar 27 10 22 ar 28 6 26 1 29 42 27 1 30 20 33 1 31 20 34 1 32 4 17 1 33 7 41 1 34 26 27 1 35 26 9 2 36 11 22 ar 37 47 15 1 38 17 16 1 39 17 30 1 40 22 37 1 41 27 15 1 42 27 28 1 43 35 3 1 44 16 3 1 45 16 29 1 46 15 46 1 47 44 28 1 48 28 45 1 49 28 43 1