@MOLECULE (2S,3S,4R,5R)-5-(6-amino-2-isobutyl-purin-9-ium-9-yl)-2-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-3-ol 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.7892 0.8357 -1.8601 S.3 1 UNL1111 -0.1506 2 O -2.0251 0.3749 1.2708 O.3 1 UNL1111 -0.4163 3 O -1.0452 -1.7501 -1.2256 O.3 1 UNL1111 -0.5553 4 O -2.5332 -2.0248 3.0097 O.3 1 UNL1111 -0.5331 5 N -0.5605 1.7944 0.1307 N.ar 1 UNL1111 -0.4029 6 N 1.0137 3.4481 0.1866 N.ar 1 UNL1111 -0.3192 7 N 0.9841 -0.1600 0.2349 N.ar 1 UNL1111 -0.5918 8 N 3.3084 0.4828 0.3892 N.ar 1 UNL1111 -0.5907 9 N 4.0400 2.6997 0.3231 N.pl3 1 UNL1111 -0.5461 10 C -2.1969 0.3723 -1.1020 C.3 1 UNL1111 -0.2930 11 C -1.9068 1.2151 0.1575 C.3 1 UNL1111 0.3049 12 C -2.1217 -1.0996 -0.6275 C.3 1 UNL1111 0.1343 13 C -1.9339 -1.0072 0.9052 C.3 1 UNL1111 -0.0075 14 C -3.0154 -1.7158 1.7203 C.3 1 UNL1111 -0.0264 15 C 0.6723 1.1589 0.2086 C.ar 1 UNL1111 0.3278 16 C -0.2869 3.1952 0.1369 C.ar 1 UNL1111 0.1275 17 C 1.6515 2.2111 0.2373 C.ar 1 UNL1111 -0.2207 18 C 2.3100 -0.4359 0.3496 C.ar 1 UNL1111 0.4545 19 C 2.7263 -1.8741 0.4805 C.3 1 UNL1111 -0.2923 20 C 2.2095 -2.7477 -0.6800 C.3 1 UNL1111 -0.0370 21 C 3.0112 1.8151 0.3182 C.ar 1 UNL1111 0.4814 22 C 2.6244 -4.2033 -0.4356 C.3 1 UNL1111 -0.4545 23 C 2.7623 -2.2522 -2.0179 C.3 1 UNL1111 -0.4533 24 H -1.4270 0.5366 -1.8988 H 1 UNL1111 0.2088 25 H -2.6294 2.0497 0.3638 H 1 UNL1111 0.1653 26 H -2.9831 -1.7270 -0.9394 H 1 UNL1111 0.1588 27 H -0.9118 -1.3445 1.2115 H 1 UNL1111 0.1918 28 H -3.2681 -2.7086 1.3004 H 1 UNL1111 0.1516 29 H -3.9287 -1.1018 1.8209 H 1 UNL1111 0.1263 30 H -4.6311 0.4222 -0.9046 H 1 UNL1111 0.1545 31 H -0.1808 -1.3627 -0.9118 H 1 UNL1111 0.3583 32 H -1.0782 3.9269 0.0905 H 1 UNL1111 0.1967 33 H 3.8365 -1.9396 0.5384 H 1 UNL1111 0.1808 34 H 2.3453 -2.2686 1.4485 H 1 UNL1111 0.1724 35 H 1.0909 -2.6982 -0.7030 H 1 UNL1111 0.1478 36 H -2.1227 -1.2288 3.4135 H 1 UNL1111 0.3235 37 H 3.7130 -4.3161 -0.4123 H 1 UNL1111 0.1428 38 H 2.2443 -4.8556 -1.2300 H 1 UNL1111 0.1456 39 H 2.2267 -4.5806 0.5127 H 1 UNL1111 0.1443 40 H 2.3933 -2.8629 -2.8491 H 1 UNL1111 0.1460 41 H 2.4638 -1.2164 -2.2183 H 1 UNL1111 0.1462 42 H 3.8570 -2.2846 -2.0402 H 1 UNL1111 0.1473 43 H 3.8544 3.6832 0.2833 H 1 UNL1111 0.3283 44 H 4.9877 2.3805 0.3845 H 1 UNL1111 0.3233 @BOND 1 1 10 1 2 1 30 1 3 2 11 1 4 2 13 1 5 3 12 1 6 3 31 1 7 4 14 1 8 4 36 1 9 5 11 1 10 5 15 ar 11 5 16 ar 12 6 16 ar 13 6 17 ar 14 7 15 ar 15 7 18 ar 16 8 18 ar 17 8 21 ar 18 9 21 1 19 9 43 1 20 9 44 1 21 10 11 1 22 10 12 1 23 10 24 1 24 11 25 1 25 12 13 1 26 12 26 1 27 13 14 1 28 13 27 1 29 14 28 1 30 14 29 1 31 15 17 ar 32 16 32 1 33 17 21 ar 34 18 19 1 35 19 20 1 36 19 33 1 37 19 34 1 38 20 22 1 39 20 23 1 40 20 35 1 41 22 37 1 42 22 38 1 43 22 39 1 44 23 40 1 45 23 41 1 46 23 42 1