@MOLECULE {2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phosphonic acid 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -5.1542 -0.9951 0.1308 P.3 1 UNL1 0.2882 2 O 0.6576 2.7135 0.8165 O.3 1 UNL1 -0.5334 3 O -3.6619 1.7110 0.1838 O.2 1 UNL1 -0.4581 4 O -5.6037 -0.4179 -1.2944 O.3 1 UNL1 -0.3908 5 O -5.0837 -2.5791 -0.1358 O.3 1 UNL1 -0.4248 6 O -6.0066 -0.6172 1.2524 O.2 1 UNL1 -0.3183 7 O 5.7889 -1.1169 1.9815 O.2 1 UNL1 -0.3549 8 N -1.6890 0.9778 -0.6027 N.am 1 UNL1 -0.5279 9 N 1.7646 0.3418 0.1806 N.ar 1 UNL1 -0.3463 10 N 3.5870 -0.3122 -1.4178 N.ar 1 UNL1 -0.5350 11 N 2.8698 -0.1074 2.1113 N.ar 1 UNL1 -0.2675 12 N 5.6090 -1.0340 -0.2848 N.ar 1 UNL1 -0.6098 13 N 5.5741 -0.7876 -2.6190 N.pl3 1 UNL1 -0.6085 14 C 0.7162 0.7824 -0.7127 C.3 1 UNL1 -0.0083 15 C 0.3501 2.2940 -0.4860 C.3 1 UNL1 0.1038 16 C -0.6048 -0.0043 -0.4765 C.3 1 UNL1 -0.0878 17 C -1.1833 2.3635 -0.5759 C.3 1 UNL1 -0.0939 18 C -2.9705 0.7527 -0.0628 C.2 1 UNL1 0.6130 19 C 3.0360 -0.0982 -0.1634 C.ar 1 UNL1 0.2008 20 C 1.7167 0.3217 1.6047 C.ar 1 UNL1 0.0811 21 C -3.3498 -0.7102 0.0775 C.3 1 UNL1 -0.2553 22 C 3.7112 -0.3769 1.0480 C.ar 1 UNL1 -0.1584 23 C 5.0963 -0.8617 1.0378 C.ar 1 UNL1 0.6151 24 C 4.9526 -0.7394 -1.3683 C.ar 1 UNL1 0.5771 25 H 1.0401 0.6464 -1.7749 H 1 UNL1 0.1499 26 H 0.8663 2.9517 -1.2117 H 1 UNL1 0.1298 27 H -0.7354 -0.7944 -1.2490 H 1 UNL1 0.1544 28 H -0.6016 -0.5062 0.5162 H 1 UNL1 0.1514 29 H -1.6007 2.9388 0.2905 H 1 UNL1 0.1911 30 H -1.5261 2.8812 -1.4977 H 1 UNL1 0.1597 31 H 0.8411 0.6379 2.1532 H 1 UNL1 0.2141 32 H 1.6285 2.7400 0.9696 H 1 UNL1 0.3297 33 H -2.9055 -1.1310 1.0332 H 1 UNL1 0.2120 34 H -2.9312 -1.3206 -0.7836 H 1 UNL1 0.2137 35 H 3.2114 0.1428 -2.2347 H 1 UNL1 0.3208 36 H -5.9999 -2.9960 -0.0083 H 1 UNL1 0.3260 37 H -6.5573 -0.0596 -1.2258 H 1 UNL1 0.3279 38 H 6.5338 -1.1212 -2.6031 H 1 UNL1 0.3243 39 H 5.0437 -1.1293 -3.3992 H 1 UNL1 0.2948 @BOND 1 39 13 1 2 13 38 1 3 13 24 1 4 35 10 1 5 25 14 1 6 30 17 1 7 10 24 ar 8 10 19 ar 9 24 12 ar 10 4 37 1 11 4 1 1 12 27 16 1 13 26 15 1 14 34 21 1 15 14 15 1 16 14 16 1 17 14 9 1 18 8 17 1 19 8 16 1 20 8 18 am 21 17 15 1 22 17 29 1 23 15 2 1 24 16 28 1 25 12 23 ar 26 19 9 ar 27 19 22 ar 28 5 36 1 29 5 1 1 30 18 21 1 31 18 3 2 32 21 1 1 33 21 33 1 34 1 6 2 35 9 20 ar 36 2 32 1 37 23 22 ar 38 23 7 2 39 22 11 ar 40 20 11 ar 41 20 31 1