@MOLECULE [(2R,3S,4R,5R)-5-(6-amino-2-oxo-7H-purine-1,9-diium-5-id-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methyl-4H-imidazol-1-ium-4-id-3-yl)phosphinic acid 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.8181 0.5278 0.2228 P.3 1 UNL1 0.3651 2 O 0.4039 1.2473 0.7852 O.3 1 UNL1 -0.3809 3 O 0.4822 4.4173 0.0514 O.3 1 UNL1 -0.5473 4 O 2.8437 3.4052 -0.5331 O.3 1 UNL1 -0.5709 5 O -2.6673 1.6051 0.1225 O.3 1 UNL1 -0.2275 6 O 4.3935 1.4116 0.4612 O.2 1 UNL1 -0.5201 7 O -4.3295 0.2645 -1.2732 O.3 1 UNL1 -0.3876 8 O -4.7900 0.9620 1.2076 O.2 1 UNL1 -0.2250 9 N 2.4608 0.2652 0.1755 N.ar 1 UNL1 -0.5245 10 N 0.5965 -1.1633 -0.6610 N.ar 1 UNL1 -0.4447 11 N 4.6091 -0.8770 0.3633 N.ar 1 UNL1 -0.6071 12 N 1.7518 -3.1147 -0.6539 N.ar 1 UNL1 -0.3366 13 N -3.0914 -0.9935 0.4866 N.ar 1 UNL1 -0.1886 14 N 4.8230 -3.1657 0.2162 N.pl3 1 UNL1 -0.5771 15 N -2.1950 -3.0548 0.2410 N.ar 1 UNL1 -0.4695 16 C 0.4361 3.2028 -0.6528 C.3 1 UNL1 0.0876 17 C 1.8020 2.4862 -0.7264 C.3 1 UNL1 0.0319 18 C -0.4459 2.2260 0.1673 C.3 1 UNL1 0.0490 19 C 1.7477 1.5114 0.4836 C.3 1 UNL1 0.2486 20 C -1.4656 1.4534 -0.6750 C.3 1 UNL1 -0.0810 21 C 1.8790 -0.9048 -0.2053 C.ar 1 UNL1 0.3863 22 C 3.9109 0.3022 0.3476 C.ar 1 UNL1 0.7359 23 C 2.6403 -2.1209 -0.2163 C.ar 1 UNL1 -0.3057 24 C 4.0234 -2.0633 0.1238 C.ar 1 UNL1 0.5103 25 C 0.5399 -2.4931 -0.8980 C.ar 1 UNL1 0.2053 26 C -2.8675 -2.0815 -0.3968 C.ar 1 UNL1 0.2744 27 C -2.4985 -1.3611 1.7241 C.ar 1 UNL1 -0.0661 28 C -1.9622 -2.6280 1.5432 C.ar 1 UNL1 -0.1008 29 C -3.3037 -2.1833 -1.8081 C.3 1 UNL1 -0.4229 30 H 0.0179 3.4548 -1.6467 H 1 UNL1 0.1436 31 H 1.9600 1.9729 -1.6962 H 1 UNL1 0.1485 32 H -0.9326 2.7549 1.0266 H 1 UNL1 0.1885 33 H 2.2044 1.9542 1.4130 H 1 UNL1 0.1720 34 H -1.1113 0.4089 -0.8379 H 1 UNL1 0.1890 35 H -1.6682 1.9281 -1.6534 H 1 UNL1 0.1329 36 H 1.4201 4.6557 0.2534 H 1 UNL1 0.3498 37 H 3.6452 2.9055 -0.2106 H 1 UNL1 0.3742 38 H 1.9573 -4.0850 -0.6975 H 1 UNL1 0.3208 39 H -0.3527 -3.0247 -1.2295 H 1 UNL1 0.2278 40 H -2.4912 -0.7372 2.6017 H 1 UNL1 0.1877 41 H 4.4891 -4.0779 0.0163 H 1 UNL1 0.3062 42 H 5.7959 -3.0534 0.4500 H 1 UNL1 0.3341 43 H -5.0396 0.9738 -1.4853 H 1 UNL1 0.3281 44 H -1.4373 -3.2507 2.2385 H 1 UNL1 0.1732 45 H -4.3993 -2.0932 -1.9113 H 1 UNL1 0.1749 46 H -2.8503 -1.4064 -2.4458 H 1 UNL1 0.1710 47 H -3.0251 -3.1626 -2.2305 H 1 UNL1 0.1672 @BOND 1 46 29 1 2 47 29 1 3 45 29 1 4 29 26 1 5 31 17 1 6 35 20 1 7 30 16 1 8 43 7 1 9 7 1 1 10 39 25 1 11 25 10 ar 12 25 12 ar 13 34 20 1 14 17 16 1 15 17 4 1 16 17 19 1 17 38 12 1 18 20 5 1 19 20 18 1 20 10 21 ar 21 12 23 ar 22 16 3 1 23 16 18 1 24 4 37 1 25 26 15 ar 26 26 13 ar 27 23 21 ar 28 23 24 ar 29 21 9 ar 30 41 14 1 31 3 36 1 32 5 1 1 33 24 14 1 34 24 11 ar 35 18 2 1 36 18 32 1 37 9 22 ar 38 9 19 1 39 14 42 1 40 1 13 1 41 1 8 2 42 15 28 ar 43 22 11 ar 44 22 6 2 45 19 2 1 46 19 33 1 47 13 27 ar 48 28 27 ar 49 28 44 1 50 27 40 1