@MOLECULE 2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]acetamide 46 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.1948 -2.3784 -0.1133 O.2 1 UNL1 -0.5546 2 C 5.0537 -1.9636 -0.1709 C.2 1 UNL1 0.5820 3 C 4.7504 -0.4880 0.0908 C.3 1 UNL1 -0.2160 4 N 3.3694 -0.1493 -0.3266 N.3 1 UNL1 -0.4012 5 C 3.3167 0.1267 -1.7758 C.3 1 UNL1 -0.2871 6 C 2.8459 0.9564 0.5155 C.3 1 UNL1 -0.1383 7 C 1.6278 1.6595 -0.0904 C.3 1 UNL1 0.0448 8 O 0.7115 0.6425 -0.5035 O.3 1 UNL1 -0.3917 9 C -0.6101 1.1311 -0.4111 C.3 1 UNL1 0.2363 10 N -1.4507 0.0540 0.0808 N.ar 1 UNL1 -0.3983 11 C -2.7647 -0.1165 -0.3404 C.ar 1 UNL1 0.2735 12 N -3.5059 0.6707 -1.1609 N.ar 1 UNL1 -0.5276 13 C -4.7634 0.2159 -1.3550 C.ar 1 UNL1 0.2990 14 N -5.3258 -0.8809 -0.7945 N.ar 1 UNL1 -0.5665 15 C -4.5870 -1.6569 0.0580 C.ar 1 UNL1 0.4640 16 N -5.1987 -2.7236 0.6354 N.pl3 1 UNL1 -0.5525 17 C -3.2357 -1.3022 0.3082 C.ar 1 UNL1 -0.1882 18 N -2.2119 -1.8427 1.0873 N.ar 1 UNL1 -0.3787 19 C -1.1548 -1.0399 0.9478 C.ar 1 UNL1 0.3240 20 C -0.6156 2.3499 0.5629 C.3 1 UNL1 0.0295 21 O -1.0374 3.4805 -0.1579 O.3 1 UNL1 -0.5542 22 C 0.8748 2.5544 0.9311 C.3 1 UNL1 0.0854 23 O 1.3269 3.8703 0.8397 O.3 1 UNL1 -0.5267 24 C 0.1524 -1.1997 1.6076 C.3 1 UNL1 -0.4356 25 N 4.0084 -2.8117 -0.4350 N.am 1 UNL1 -0.6667 26 H 4.8852 -0.3184 1.1838 H 1 UNL1 0.1669 27 H 5.5316 0.1256 -0.4134 H 1 UNL1 0.1587 28 H 3.8182 -0.6888 -2.3263 H 1 UNL1 0.1515 29 H 2.2564 0.1150 -2.0999 H 1 UNL1 0.1704 30 H 3.7738 1.0765 -2.0831 H 1 UNL1 0.1238 31 H 2.5691 0.4819 1.4874 H 1 UNL1 0.1519 32 H 3.6081 1.7374 0.7350 H 1 UNL1 0.1381 33 H 1.8949 2.2460 -0.9974 H 1 UNL1 0.1514 34 H -0.9363 1.4187 -1.4508 H 1 UNL1 0.1833 35 H -5.4082 0.8011 -2.0337 H 1 UNL1 0.2005 36 H -6.1619 -2.9255 0.4448 H 1 UNL1 0.3245 37 H -4.6862 -3.3183 1.2601 H 1 UNL1 0.3285 38 H -1.2674 2.2120 1.4461 H 1 UNL1 0.1526 39 H -1.9753 3.3641 -0.4418 H 1 UNL1 0.3522 40 H 1.0833 2.2752 1.9864 H 1 UNL1 0.1517 41 H 0.7537 4.4042 0.2368 H 1 UNL1 0.3483 42 H 0.3944 -0.3415 2.2528 H 1 UNL1 0.1654 43 H 0.1712 -2.1049 2.2387 H 1 UNL1 0.1860 44 H 0.9745 -1.2933 0.8675 H 1 UNL1 0.2018 45 H 4.1687 -3.7794 -0.6241 H 1 UNL1 0.3118 46 H 3.0686 -2.4626 -0.4730 H 1 UNL1 0.3261 @BOND 1 28 5 1 2 29 5 1 3 30 5 1 4 35 13 1 5 5 4 1 6 34 9 1 7 13 12 ar 8 13 14 ar 9 12 11 ar 10 33 7 1 11 14 15 ar 12 45 25 1 13 8 9 1 14 8 7 1 15 46 25 1 16 39 21 1 17 25 2 am 18 27 3 1 19 9 10 1 20 9 20 1 21 11 10 ar 22 11 17 ar 23 4 3 1 24 4 6 1 25 2 1 2 26 2 3 1 27 21 20 1 28 7 6 1 29 7 22 1 30 15 17 ar 31 15 16 1 32 10 19 ar 33 3 26 1 34 41 23 1 35 17 18 ar 36 36 16 1 37 6 32 1 38 6 31 1 39 20 22 1 40 20 38 1 41 16 37 1 42 23 22 1 43 44 24 1 44 22 40 1 45 19 18 ar 46 19 24 1 47 24 43 1 48 24 42 1