@MOLECULE [(2R,3S,5R)-3-hydroxy-5-[6-[[(2R,3S)-2,3,4-trihydroxybutyl]amino]purin-9-ium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 P -5.0460 2.3029 -0.0198 P.3 1 UNL11111111 0.3627 2 O -6.2101 3.0018 -0.5265 O.2 1 UNL11111111 -0.2450 3 O -3.7694 3.1673 0.4084 O.3 1 UNL11111111 -0.4123 4 O -5.2035 1.4226 1.3069 O.3 1 UNL11111111 -0.3771 5 O -4.5564 1.2402 -1.0945 O.3 1 UNL11111111 -0.1977 6 C -3.4164 0.3804 -0.9154 C.3 1 UNL11111111 -0.0777 7 C -3.8906 -0.9604 -0.3360 C.3 1 UNL11111111 0.0317 8 O -3.1860 -2.0017 -1.0197 O.3 1 UNL11111111 -0.4234 9 C -2.2046 -2.5800 -0.1939 C.3 1 UNL11111111 0.3216 10 N -0.9235 -2.0060 -0.6578 N.ar 1 UNL11111111 -0.3845 11 C 0.2577 -1.7964 0.0313 C.ar 1 UNL11111111 0.2883 12 N 0.5803 -2.0475 1.3302 N.ar 1 UNL11111111 -0.5078 13 C 1.8411 -1.7232 1.6615 C.ar 1 UNL11111111 0.3000 14 N 2.7877 -1.1905 0.8439 N.ar 1 UNL11111111 -0.6112 15 C 2.4932 -0.9632 -0.4717 C.ar 1 UNL11111111 0.4586 16 N 3.4529 -0.5029 -1.3147 N.pl3 1 UNL11111111 -0.4699 17 C 4.8439 -0.3292 -0.8975 C.3 1 UNL11111111 -0.1271 18 C 5.0809 1.0465 -0.2356 C.3 1 UNL11111111 0.0815 19 O 4.7815 1.0181 1.1419 O.3 1 UNL11111111 -0.5945 20 C 6.5715 1.4497 -0.2903 C.3 1 UNL11111111 0.0704 21 O 6.6980 2.7989 0.0994 O.3 1 UNL11111111 -0.5554 22 C 7.4263 0.5839 0.6487 C.3 1 UNL11111111 -0.0411 23 O 8.7910 0.8835 0.4540 O.3 1 UNL11111111 -0.5479 24 C 1.1748 -1.2392 -0.9259 C.ar 1 UNL11111111 -0.2085 25 N 0.5429 -1.1114 -2.1591 N.ar 1 UNL11111111 -0.3497 26 C -0.6959 -1.5683 -1.9906 C.ar 1 UNL11111111 0.1414 27 C -2.5539 -2.2508 1.2578 C.3 1 UNL11111111 -0.3784 28 C -3.6053 -1.1332 1.1717 C.3 1 UNL11111111 0.1380 29 O -4.7570 -1.6262 1.8251 O.3 1 UNL11111111 -0.5587 30 H -3.6803 3.9705 -0.2135 H 1 UNL11111111 0.3285 31 H -5.2612 2.0512 2.1131 H 1 UNL11111111 0.3264 32 H -3.1071 0.2581 -1.9816 H 1 UNL11111111 0.1560 33 H -2.5607 0.8094 -0.3633 H 1 UNL11111111 0.1467 34 H -4.9575 -1.1684 -0.5878 H 1 UNL11111111 0.1777 35 H -2.2148 -3.6701 -0.4487 H 1 UNL11111111 0.1607 36 H 2.1504 -1.8997 2.7076 H 1 UNL11111111 0.2029 37 H 3.1876 -0.2448 -2.2581 H 1 UNL11111111 0.3385 38 H 5.4957 -0.4571 -1.7919 H 1 UNL11111111 0.1577 39 H 5.1273 -1.1382 -0.1749 H 1 UNL11111111 0.1851 40 H 4.4433 1.8409 -0.6889 H 1 UNL11111111 0.1475 41 H 4.0601 0.3686 1.3313 H 1 UNL11111111 0.3668 42 H 6.9730 1.4550 -1.3277 H 1 UNL11111111 0.1527 43 H 6.2193 2.9518 0.9466 H 1 UNL11111111 0.3350 44 H 7.3595 -0.4940 0.4208 H 1 UNL11111111 0.1418 45 H 7.1652 0.7519 1.7109 H 1 UNL11111111 0.1422 46 H 8.9259 1.8556 0.5077 H 1 UNL11111111 0.3265 47 H -1.4669 -1.6249 -2.7477 H 1 UNL11111111 0.2111 48 H -1.6826 -1.9589 1.8745 H 1 UNL11111111 0.2023 49 H -2.9854 -3.1352 1.7744 H 1 UNL11111111 0.1932 50 H -3.2853 -0.2011 1.6807 H 1 UNL11111111 0.1434 51 H -5.4469 -0.9279 1.8449 H 1 UNL11111111 0.3311 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 30 1 6 4 31 1 7 5 6 1 8 6 7 1 9 6 32 1 10 6 33 1 11 7 8 1 12 7 28 1 13 7 34 1 14 8 9 1 15 9 10 1 16 9 27 1 17 9 35 1 18 10 11 ar 19 10 26 ar 20 11 12 ar 21 11 24 ar 22 12 13 ar 23 13 14 ar 24 13 36 1 25 14 15 ar 26 15 16 1 27 15 24 ar 28 16 17 1 29 16 37 1 30 17 18 1 31 17 38 1 32 17 39 1 33 18 19 1 34 18 20 1 35 18 40 1 36 19 41 1 37 20 21 1 38 20 22 1 39 20 42 1 40 21 43 1 41 22 23 1 42 22 44 1 43 22 45 1 44 23 46 1 45 24 25 ar 46 25 26 ar 47 26 47 1 48 27 28 1 49 27 48 1 50 27 49 1 51 28 29 1 52 28 50 1 53 29 51 1