@MOLECULE (2s)-2-amino-n-[(2s,3r,4s,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]-3-(4-methoxyphenyl)propanamide 63 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3576 -2.5308 -0.7098 O.3 1 UNL1 -0.4320 2 O 2.0786 -3.3484 2.1229 O.3 1 UNL1 -0.5509 3 O 2.6670 -2.0862 -3.4125 O.3 1 UNL1 -0.5395 4 O -1.5847 -3.2611 0.5605 O.2 1 UNL1 -0.5669 5 O -7.9816 2.0523 0.1326 O.3 1 UNL1 -0.3122 6 N 3.7750 -0.6925 0.6411 N.ar 1 UNL1 -0.3828 7 N -0.0346 -1.8130 -0.2411 N.am 1 UNL1 -0.5803 8 N 5.2434 1.0515 0.6666 N.ar 1 UNL1 -0.3416 9 N 1.7285 0.5798 0.0220 N.ar 1 UNL1 -0.5763 10 N -1.9641 0.1804 0.5208 N.3 1 UNL1 -0.6305 11 N 4.2108 3.9610 0.0198 N.pl3 1 UNL1 -0.3152 12 N 2.1146 2.9490 -0.2175 N.ar 1 UNL1 -0.5889 13 C 1.0592 -2.7462 -0.0156 C.3 1 UNL1 -0.0087 14 C 1.9296 -2.2993 1.1957 C.3 1 UNL1 0.0613 15 C 2.0461 -2.7983 -1.2108 C.3 1 UNL1 0.0505 16 C 3.3513 -2.0887 0.6230 C.3 1 UNL1 0.2805 17 C 1.7791 -1.8089 -2.3498 C.3 1 UNL1 -0.0327 18 C 3.0478 0.4442 0.3056 C.ar 1 UNL1 0.3097 19 C -1.3126 -2.1525 0.1411 C.2 1 UNL1 0.5685 20 C 5.1196 -0.2606 0.8215 C.ar 1 UNL1 0.1328 21 C -2.3888 -1.0826 -0.1111 C.3 1 UNL1 -0.0147 22 C 3.9765 1.5391 0.3439 C.ar 1 UNL1 -0.2087 23 C -3.7392 -1.6279 0.3959 C.3 1 UNL1 -0.3315 24 C 3.4608 2.8389 0.0638 C.ar 1 UNL1 0.4437 25 C -4.8390 -0.6229 0.2828 C.ar 1 UNL1 -0.0686 26 C 1.3362 1.8517 -0.2255 C.ar 1 UNL1 0.3171 27 C -5.6517 -0.3606 1.3940 C.ar 1 UNL1 -0.1094 28 C -5.0839 0.0382 -0.9200 C.ar 1 UNL1 -0.1131 29 C 5.6024 3.9344 0.4736 C.3 1 UNL1 -0.2376 30 C 3.6021 5.2746 -0.1888 C.3 1 UNL1 -0.2332 31 C -6.6930 0.5495 1.3085 C.ar 1 UNL1 -0.2391 32 C -6.1172 0.9677 -1.0265 C.ar 1 UNL1 -0.2895 33 C -6.9167 1.2087 0.0886 C.ar 1 UNL1 0.2385 34 C -8.1649 2.9217 -0.9766 C.3 1 UNL1 -0.2027 35 H 1.1972 -3.6533 2.4334 H 1 UNL1 0.3371 36 H 3.5916 -2.0001 -3.0918 H 1 UNL1 0.3223 37 H 0.2395 -0.8263 -0.3414 H 1 UNL1 0.3655 38 H -1.8849 0.0905 1.5232 H 1 UNL1 0.2539 39 H -2.6257 0.9202 0.3258 H 1 UNL1 0.2599 40 H 0.6456 -3.7762 0.1745 H 1 UNL1 0.1894 41 H 1.5251 -1.4092 1.7228 H 1 UNL1 0.1668 42 H 2.1457 -3.8332 -1.6155 H 1 UNL1 0.1602 43 H 4.1263 -2.7163 1.1422 H 1 UNL1 0.1793 44 H 0.7774 -1.9520 -2.7953 H 1 UNL1 0.1565 45 H 1.9087 -0.7568 -2.0377 H 1 UNL1 0.1435 46 H 5.9114 -0.9501 1.0719 H 1 UNL1 0.2003 47 H -2.4455 -0.9031 -1.2200 H 1 UNL1 0.1658 48 H -3.6264 -1.9940 1.4392 H 1 UNL1 0.1687 49 H -4.0032 -2.5481 -0.1733 H 1 UNL1 0.1783 50 H 0.2628 2.0009 -0.4536 H 1 UNL1 0.2106 51 H -5.4686 -0.8814 2.3347 H 1 UNL1 0.1571 52 H -4.4709 -0.1746 -1.7945 H 1 UNL1 0.1517 53 H 6.2010 3.2559 -0.1698 H 1 UNL1 0.1796 54 H 5.6817 3.5443 1.5083 H 1 UNL1 0.1658 55 H 6.0521 4.9376 0.4354 H 1 UNL1 0.1498 56 H 4.2848 5.9220 -0.7646 H 1 UNL1 0.1482 57 H 3.3611 5.7579 0.7750 H 1 UNL1 0.1472 58 H 2.6557 5.1876 -0.7641 H 1 UNL1 0.1864 59 H -7.3373 0.7575 2.1595 H 1 UNL1 0.1749 60 H -6.2927 1.4751 -1.9684 H 1 UNL1 0.1624 61 H -9.0378 3.5125 -0.6652 H 1 UNL1 0.1544 62 H -8.3909 2.3579 -1.8871 H 1 UNL1 0.1344 63 H -7.2923 3.5681 -1.1125 H 1 UNL1 0.1337 @BOND 1 3 36 1 2 3 17 1 3 44 17 1 4 17 45 1 5 17 15 1 6 60 32 1 7 62 34 1 8 52 28 1 9 42 15 1 10 47 21 1 11 15 1 1 12 15 13 1 13 63 34 1 14 32 28 ar 15 32 33 ar 16 34 61 1 17 34 5 1 18 28 25 ar 19 56 30 1 20 58 30 1 21 1 16 1 22 50 26 1 23 37 7 1 24 7 13 1 25 7 19 am 26 26 12 ar 27 26 9 ar 28 12 24 ar 29 30 11 1 30 30 57 1 31 49 23 1 32 53 29 1 33 21 19 1 34 21 23 1 35 21 10 1 36 13 40 1 37 13 14 1 38 11 24 1 39 11 29 1 40 9 18 ar 41 24 22 ar 42 33 5 1 43 33 31 ar 44 19 4 2 45 25 23 1 46 25 27 ar 47 18 22 ar 48 18 6 ar 49 39 10 1 50 22 8 ar 51 23 48 1 52 55 29 1 53 29 54 1 54 10 38 1 55 16 6 1 56 16 43 1 57 16 14 1 58 6 20 ar 59 8 20 ar 60 20 46 1 61 14 41 1 62 14 2 1 63 31 27 ar 64 31 59 1 65 27 51 1 66 2 35 1