@MOLECULE 9-[2-deoxy-5-o-(2,2-dimethylpropanoyl)-3-o-(methylsulfonyl)-beta-d-threo-pentofuranosyl]-n,n-dimethyl-9h-purin-6-amine 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4676 0.6153 -0.6406 S.O2 1 UNL1111111111 2.4167 2 O -0.7648 -1.7302 1.6337 O.3 1 UNL1111111111 -0.4285 3 O -3.2160 -0.4858 -0.4666 O.3 1 UNL1111111111 -0.7505 4 O 0.2544 -2.3581 -0.8347 O.3 1 UNL1111111111 -0.4211 5 O -4.9317 0.8963 0.6963 O.2 1 UNL1111111111 -0.9318 6 O -5.3628 0.0761 -1.6265 O.2 1 UNL1111111111 -0.8889 7 O 1.4856 -0.5254 -1.2492 O.2 1 UNL1111111111 -0.5386 8 N 0.2129 0.3362 1.9877 N.ar 1 UNL1111111111 -0.3950 9 N 2.4842 0.5957 1.9652 N.ar 1 UNL1111111111 -0.3467 10 N -0.3145 1.7511 0.0015 N.ar 1 UNL1111111111 -0.5581 11 N 3.8374 2.3830 -0.2492 N.pl3 1 UNL1111111111 -0.3210 12 N 1.6554 2.6948 -1.0394 N.ar 1 UNL1111111111 -0.5701 13 C -2.8500 -0.9890 0.7846 C.3 1 UNL1111111111 0.2009 14 C -1.6313 -1.9238 0.5251 C.3 1 UNL1111111111 0.0660 15 C -2.2988 0.0929 1.7366 C.3 1 UNL1111111111 -0.3995 16 C -0.9749 -0.4740 2.2521 C.3 1 UNL1111111111 0.3104 17 C -0.9358 -1.5753 -0.7927 C.3 1 UNL1111111111 -0.0618 18 C 0.5124 1.1517 0.8941 C.ar 1 UNL1111111111 0.3307 19 C 1.4697 0.0037 2.5779 C.ar 1 UNL1111111111 0.1211 20 C 1.9406 1.3233 0.9052 C.ar 1 UNL1111111111 -0.1956 21 C 2.6031 -2.6548 -0.8192 C.3 1 UNL1111111111 0.0645 22 C 1.4286 -1.7028 -1.0008 C.2 1 UNL1111111111 0.5846 23 C 2.5132 2.1079 -0.1357 C.ar 1 UNL1111111111 0.4652 24 C -3.5697 1.9710 -1.2974 C.3 1 UNL1111111111 -0.7572 25 C 3.8206 -2.0307 -1.5080 C.3 1 UNL1111111111 -0.4495 26 C 2.8360 -2.7748 0.6901 C.3 1 UNL1111111111 -0.4622 27 C 2.2757 -4.0175 -1.4327 C.3 1 UNL1111111111 -0.4447 28 C 0.3307 2.4951 -0.9299 C.ar 1 UNL1111111111 0.3022 29 C 4.3555 3.0312 -1.4566 C.3 1 UNL1111111111 -0.2323 30 C 4.8038 1.6295 0.5532 C.3 1 UNL1111111111 -0.2371 31 H -3.7150 -1.5349 1.2172 H 1 UNL1111111111 0.1344 32 H -1.8746 -3.0044 0.5881 H 1 UNL1111111111 0.1536 33 H -3.0073 0.3163 2.5540 H 1 UNL1111111111 0.1815 34 H -2.1613 1.0639 1.2157 H 1 UNL1111111111 0.2114 35 H -0.9844 -0.7105 3.3489 H 1 UNL1111111111 0.1480 36 H -0.7256 -0.4920 -0.8835 H 1 UNL1111111111 0.1786 37 H -1.5309 -1.8979 -1.6677 H 1 UNL1111111111 0.1574 38 H 1.5369 -0.6418 3.4398 H 1 UNL1111111111 0.1970 39 H -2.4855 1.8950 -1.0671 H 1 UNL1111111111 0.2307 40 H -3.6504 2.0412 -2.3909 H 1 UNL1111111111 0.1937 41 H -3.8977 2.9324 -0.8788 H 1 UNL1111111111 0.1922 42 H 4.0196 -1.0211 -1.1233 H 1 UNL1111111111 0.1583 43 H 4.7187 -2.6357 -1.3488 H 1 UNL1111111111 0.1500 44 H 3.6643 -1.9311 -2.5887 H 1 UNL1111111111 0.1540 45 H 3.1136 -1.8087 1.1349 H 1 UNL1111111111 0.1657 46 H 3.6432 -3.4806 0.9111 H 1 UNL1111111111 0.1541 47 H 1.9333 -3.1251 1.2083 H 1 UNL1111111111 0.1614 48 H 1.4150 -4.4844 -0.9344 H 1 UNL1111111111 0.1617 49 H 3.1228 -4.7058 -1.3421 H 1 UNL1111111111 0.1473 50 H 2.0262 -3.9317 -2.4966 H 1 UNL1111111111 0.1514 51 H -0.2993 2.9916 -1.6876 H 1 UNL1111111111 0.1893 52 H 3.6119 3.7471 -1.8660 H 1 UNL1111111111 0.1840 53 H 4.5730 2.2938 -2.2491 H 1 UNL1111111111 0.1457 54 H 5.2694 3.5975 -1.2152 H 1 UNL1111111111 0.1434 55 H 4.6122 1.8032 1.6337 H 1 UNL1111111111 0.1804 56 H 5.8326 1.9485 0.3306 H 1 UNL1111111111 0.1454 57 H 4.7194 0.5393 0.3838 H 1 UNL1111111111 0.1576 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 24 1 5 2 14 1 6 2 16 1 7 3 13 1 8 4 17 1 9 4 22 1 10 7 22 2 11 8 16 1 12 8 18 ar 13 8 19 ar 14 9 19 ar 15 9 20 ar 16 10 18 ar 17 10 28 ar 18 11 23 1 19 11 29 1 20 11 30 1 21 12 23 ar 22 12 28 ar 23 13 14 1 24 13 15 1 25 13 31 1 26 14 17 1 27 14 32 1 28 15 16 1 29 15 33 1 30 15 34 1 31 16 35 1 32 17 36 1 33 17 37 1 34 18 20 ar 35 19 38 1 36 20 23 ar 37 21 22 1 38 21 25 1 39 21 26 1 40 21 27 1 41 24 39 1 42 24 40 1 43 24 41 1 44 25 42 1 45 25 43 1 46 25 44 1 47 26 45 1 48 26 46 1 49 26 47 1 50 27 48 1 51 27 49 1 52 27 50 1 53 28 51 1 54 29 52 1 55 29 53 1 56 29 54 1 57 30 55 1 58 30 56 1 59 30 57 1