@MOLECULE 2-amino-9-[(2R,3R,4S,5R)-2-(2-fluoroethyl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-3,9-diium-6-one 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.6632 2.4549 3.0479 F 1 UNL1 -0.2017 2 O -1.2614 -0.7119 0.6054 O.3 1 UNL1 -0.4270 3 O -3.2218 1.2709 -1.3502 O.3 1 UNL1 -0.5282 4 O -4.1711 -1.0494 -0.7434 O.3 1 UNL1 -0.5165 5 O -0.2033 -3.1965 0.5373 O.3 1 UNL1 -0.5504 6 O 4.5943 1.2644 -1.0588 O.2 1 UNL1 -0.3802 7 N 0.0028 0.8663 -0.5309 N.ar 1 UNL1 -0.4149 8 N 1.4619 -0.8094 0.6331 N.ar 1 UNL1 -0.5319 9 N 1.6540 2.1107 -1.4708 N.ar 1 UNL1 -0.2563 10 N 3.8187 -0.4870 0.1670 N.ar 1 UNL1 -0.6218 11 N 3.0828 -2.4114 1.2862 N.pl3 1 UNL1 -0.6135 12 C -1.3486 0.5158 -0.0897 C.3 1 UNL1 0.4107 13 C -2.2393 0.2725 -1.3567 C.3 1 UNL1 0.0172 14 C -2.8357 -1.1417 -1.1455 C.3 1 UNL1 0.0449 15 C -1.9515 -1.7708 -0.0532 C.3 1 UNL1 0.0404 16 C -1.9052 1.5514 0.8929 C.3 1 UNL1 -0.3471 17 C -0.9205 -2.7597 -0.6081 C.3 1 UNL1 -0.0468 18 C 1.2112 0.2899 -0.1640 C.ar 1 UNL1 0.2539 19 C -1.1043 1.5494 2.2032 C.3 1 UNL1 -0.0465 20 C 0.3389 2.0043 -1.3249 C.ar 1 UNL1 0.0739 21 C 2.2298 1.0682 -0.7687 C.ar 1 UNL1 -0.1852 22 C 3.6371 0.6954 -0.6103 C.ar 1 UNL1 0.6190 23 C 2.8345 -1.1806 0.6736 C.ar 1 UNL1 0.5706 24 H -1.6652 0.3649 -2.3042 H 1 UNL1 0.1607 25 H -2.9001 -1.7419 -2.0770 H 1 UNL1 0.1668 26 H -2.5488 -2.2384 0.7724 H 1 UNL1 0.1853 27 H -2.9764 1.3359 1.0911 H 1 UNL1 0.1772 28 H -1.9024 2.5601 0.4249 H 1 UNL1 0.1879 29 H -0.2195 -2.2874 -1.3185 H 1 UNL1 0.1346 30 H -1.4114 -3.6336 -1.0812 H 1 UNL1 0.1384 31 H -1.1274 0.5459 2.6912 H 1 UNL1 0.1457 32 H -0.0385 1.8340 2.0325 H 1 UNL1 0.1484 33 H -4.0112 0.9834 -1.8794 H 1 UNL1 0.3444 34 H -0.4156 2.6537 -1.7334 H 1 UNL1 0.1999 35 H -4.2653 -0.4685 0.0546 H 1 UNL1 0.3329 36 H 0.7066 -1.4531 0.8784 H 1 UNL1 0.3640 37 H 0.5004 -3.8319 0.2766 H 1 UNL1 0.3301 38 H 2.4621 -2.7069 2.0172 H 1 UNL1 0.2971 39 H 4.0611 -2.6166 1.4548 H 1 UNL1 0.3242 @BOND 1 24 13 1 2 25 14 1 3 33 3 1 4 34 20 1 5 9 20 ar 6 9 21 ar 7 13 3 1 8 13 14 1 9 13 12 1 10 20 7 ar 11 29 17 1 12 14 4 1 13 14 15 1 14 30 17 1 15 6 22 2 16 21 22 ar 17 21 18 ar 18 4 35 1 19 22 10 ar 20 17 15 1 21 17 5 1 22 7 18 ar 23 7 12 1 24 18 8 ar 25 12 2 1 26 12 16 1 27 15 2 1 28 15 26 1 29 10 23 ar 30 37 5 1 31 28 16 1 32 8 23 ar 33 8 36 1 34 23 11 1 35 16 27 1 36 16 19 1 37 11 39 1 38 11 38 1 39 32 19 1 40 19 31 1 41 19 1 1