@MOLECULE [(2R,3R,4R,5R)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-(2-methoxyethoxy)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 P 4.1542 -0.6533 0.0026 P.3 1 UNL11 0.3436 2 O 0.3153 -1.6435 1.1554 O.3 1 UNL11 -0.3749 3 O -2.6959 -2.0028 0.2382 O.3 1 UNL11 -0.4028 4 O -1.1145 -3.7382 -0.8297 O.3 1 UNL11 -0.5300 5 O 2.8172 -1.4970 0.2038 O.3 1 UNL11 -0.2284 6 O -5.5601 -0.6608 0.2822 O.3 1 UNL11 -0.3775 7 O 4.7571 -1.1829 -1.3766 O.3 1 UNL11 -0.3325 8 O 3.7597 0.8351 -0.4326 O.3 1 UNL11 -0.4320 9 O 4.9688 -0.8179 1.1884 O.2 1 UNL11 -0.2048 10 N -0.3097 0.5386 0.8186 N.ar 1 UNL11 -0.3891 11 N 1.0568 2.3076 1.2729 N.ar 1 UNL11 -0.3601 12 N -1.8618 1.6811 -0.7634 N.ar 1 UNL11 -0.5450 13 N -1.2976 4.0082 -1.1111 N.ar 1 UNL11 -0.5704 14 N 0.5256 5.0602 -0.0928 N.pl3 1 UNL11 -0.5475 15 C -1.5567 -1.3731 -0.2985 C.3 1 UNL11 -0.0208 16 C -0.5965 -2.4432 -0.9005 C.3 1 UNL11 0.0678 17 C -0.8121 -0.8353 0.9514 C.3 1 UNL11 0.2599 18 C 0.6830 -2.3285 -0.0413 C.3 1 UNL11 0.0312 19 C 1.7758 -1.5481 -0.7916 C.3 1 UNL11 -0.0809 20 C -0.7977 1.6037 0.0791 C.ar 1 UNL11 0.2872 21 C 0.8266 1.0209 1.5256 C.ar 1 UNL11 0.1571 22 C -3.8152 -2.0554 -0.6379 C.3 1 UNL11 -0.0714 23 C 0.0728 2.7090 0.3716 C.ar 1 UNL11 -0.2033 24 C -4.5397 -0.7095 -0.6944 C.3 1 UNL11 -0.0894 25 C -0.2206 3.9413 -0.2695 C.ar 1 UNL11 0.4632 26 C -2.0504 2.9008 -1.3113 C.ar 1 UNL11 0.3058 27 C -5.0854 -0.3652 1.5842 C.3 1 UNL11 -0.1949 28 H -1.8252 -0.5908 -1.0372 H 1 UNL11 0.1834 29 H -0.4181 -2.2993 -1.9859 H 1 UNL11 0.1545 30 H -1.4148 -0.9199 1.8942 H 1 UNL11 0.1779 31 H 1.0532 -3.3075 0.3373 H 1 UNL11 0.1828 32 H 2.1025 -2.1121 -1.6902 H 1 UNL11 0.1450 33 H 1.4132 -0.5481 -1.0979 H 1 UNL11 0.1316 34 H -1.6814 -3.8434 -0.0268 H 1 UNL11 0.3382 35 H 1.3974 0.3757 2.1878 H 1 UNL11 0.2255 36 H -3.5072 -2.4179 -1.6318 H 1 UNL11 0.1320 37 H -4.4429 -2.8255 -0.1434 H 1 UNL11 0.1596 38 H -3.8441 0.1460 -0.5890 H 1 UNL11 0.1597 39 H -5.1101 -0.5916 -1.6352 H 1 UNL11 0.1427 40 H -2.9085 3.0123 -1.9982 H 1 UNL11 0.2003 41 H 0.2862 5.9145 -0.5584 H 1 UNL11 0.3246 42 H 1.3111 5.0443 0.5314 H 1 UNL11 0.3308 43 H 5.1645 -0.3852 -1.8801 H 1 UNL11 0.3202 44 H 2.9887 1.1825 0.1365 H 1 UNL11 0.3389 45 H -5.9867 -0.4516 2.2022 H 1 UNL11 0.1380 46 H -4.6884 0.6544 1.6235 H 1 UNL11 0.1249 47 H -4.3282 -1.0880 1.9047 H 1 UNL11 0.1295 @BOND 1 1 5 1 2 1 7 1 3 1 8 1 4 1 9 2 5 2 17 1 6 2 18 1 7 3 15 1 8 3 22 1 9 4 16 1 10 4 34 1 11 5 19 1 12 6 24 1 13 6 27 1 14 7 43 1 15 8 44 1 16 10 17 1 17 10 20 ar 18 10 21 ar 19 11 21 ar 20 11 23 ar 21 12 20 ar 22 12 26 ar 23 13 25 ar 24 13 26 ar 25 14 25 1 26 14 41 1 27 14 42 1 28 15 16 1 29 15 28 1 30 16 18 1 31 16 29 1 32 17 15 1 33 17 30 1 34 18 19 1 35 18 31 1 36 19 32 1 37 19 33 1 38 20 23 ar 39 21 35 1 40 22 24 1 41 22 36 1 42 22 37 1 43 23 25 ar 44 24 38 1 45 24 39 1 46 26 40 1 47 27 45 1 48 27 46 1 49 27 47 1