@MOLECULE (2s,3s,4r,5r)-3-{[(2s)-2-amino-3-(4-methoxyphenyl)propanoyl]amino}-5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydro-2-furancarboxylic acid 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.1906 0.0483 0.4991 C.3 1 UNL1 0.2323 2 C -1.7961 0.3623 -0.9777 C.3 1 UNL1 0.0794 3 C -0.6881 1.4396 -0.8239 C.3 1 UNL1 0.0428 4 C -1.0125 2.0594 0.5659 C.3 1 UNL1 0.0123 5 C 3.0949 0.9376 -1.0610 C.3 1 UNL1 -0.0119 6 C -4.5838 0.4822 1.4398 C.ar 1 UNL1 0.1694 7 C -4.6871 -3.1102 -1.2005 C.ar 1 UNL1 0.3119 8 C 6.2254 0.6536 0.3797 C.ar 1 UNL1 -0.1092 9 C 7.3219 -0.1939 0.4284 C.ar 1 UNL1 -0.2416 10 C 5.8169 -2.1117 0.5783 C.ar 1 UNL1 -0.2877 11 C 4.7310 -1.2406 0.5332 C.ar 1 UNL1 -0.0997 12 C 3.7438 1.0480 0.3423 C.3 1 UNL1 -0.3285 13 C 8.1445 -3.7081 0.6315 C.3 1 UNL1 -0.2038 14 H -1.9577 -1.4963 -1.6000 H 1 UNL1 0.3768 15 H -8.3523 -3.0927 0.0695 H 1 UNL1 0.3248 16 H -8.1846 -1.6718 1.0421 H 1 UNL1 0.3302 17 H 0.6738 -0.1666 -0.9573 H 1 UNL1 0.3398 18 H 3.7876 2.5719 -2.1290 H 1 UNL1 0.2693 19 H 4.8388 1.2973 -2.1087 H 1 UNL1 0.2639 20 C -6.4798 -2.2428 0.0557 C.ar 1 UNL1 0.4702 21 C 4.9254 0.1368 0.4263 C.ar 1 UNL1 -0.0693 22 C 7.1042 -1.5782 0.5243 C.ar 1 UNL1 0.2427 23 O -2.5755 3.6306 -0.4676 O.2 1 UNL1 -0.4853 24 O 1.6267 2.8608 -0.9974 O.2 1 UNL1 -0.5324 25 O -1.2578 -0.7811 -1.5726 O.3 1 UNL1 -0.5636 26 O -1.4951 4.1998 1.4050 O.3 1 UNL1 -0.5308 27 C -1.7976 3.3490 0.4025 C.2 1 UNL1 0.6020 28 C 1.7419 1.6528 -0.9920 C.2 1 UNL1 0.5650 29 O 8.2592 -2.2933 0.5646 O.3 1 UNL1 -0.3114 30 H -1.9620 5.0722 1.3437 H 1 UNL1 0.3565 31 O -1.8467 1.1627 1.2971 O.3 1 UNL1 -0.3797 32 N -7.7801 -2.3493 0.4226 N.pl3 1 UNL1 -0.5412 33 N 3.8658 1.5629 -2.1458 N.3 1 UNL1 -0.6342 34 N 0.6397 0.8370 -0.8186 N.am 1 UNL1 -0.5938 35 N -5.7686 -0.1221 1.3788 N.ar 1 UNL1 -0.3401 36 N -3.7818 -2.1781 -0.8289 N.ar 1 UNL1 -0.5605 37 N -5.9775 -3.1856 -0.8029 N.ar 1 UNL1 -0.5681 38 C -4.2708 -1.2536 0.0399 C.ar 1 UNL1 0.2708 39 C -5.6197 -1.2109 0.5207 C.ar 1 UNL1 -0.1879 40 N -3.6237 -0.1764 0.6291 N.ar 1 UNL1 -0.3799 41 H -1.6316 -0.8308 0.9191 H 1 UNL1 0.1731 42 H -2.6508 0.7345 -1.5844 H 1 UNL1 0.1645 43 H -0.7581 2.2151 -1.6361 H 1 UNL1 0.1918 44 H -0.1095 2.2005 1.2076 H 1 UNL1 0.1982 45 H -4.3358 1.3675 2.0106 H 1 UNL1 0.2128 46 H -4.3437 -3.8923 -1.9009 H 1 UNL1 0.2015 47 H 2.9741 -0.1452 -1.3339 H 1 UNL1 0.1622 48 H 4.0199 2.1028 0.5477 H 1 UNL1 0.1665 49 H 3.0017 0.7936 1.1278 H 1 UNL1 0.1636 50 H 6.3808 1.7302 0.3092 H 1 UNL1 0.1547 51 H 8.3388 0.1902 0.3948 H 1 UNL1 0.1746 52 H 5.6496 -3.1802 0.6558 H 1 UNL1 0.1622 53 H 3.7207 -1.6457 0.5814 H 1 UNL1 0.1500 54 H 9.1974 -4.0235 0.6399 H 1 UNL1 0.1553 55 H 7.6460 -4.0172 1.5554 H 1 UNL1 0.1346 56 H 7.6346 -4.1031 -0.2525 H 1 UNL1 0.1349 @BOND 1 33 18 1 2 33 19 1 3 33 5 1 4 46 7 1 5 43 3 1 6 14 25 1 7 42 2 1 8 25 2 1 9 47 5 1 10 7 36 ar 11 7 37 ar 12 5 28 1 13 5 12 1 14 24 28 2 15 28 34 am 16 2 3 1 17 2 1 1 18 17 34 1 19 36 38 ar 20 3 34 1 21 3 4 1 22 37 20 ar 23 23 27 2 24 56 13 1 25 38 39 ar 26 38 40 ar 27 20 32 1 28 20 39 ar 29 15 32 1 30 50 8 1 31 12 21 1 32 12 48 1 33 12 49 1 34 8 21 ar 35 8 9 ar 36 51 9 1 37 27 4 1 38 27 26 1 39 32 16 1 40 21 11 ar 41 9 22 ar 42 1 40 1 43 1 41 1 44 1 31 1 45 39 35 ar 46 22 29 1 47 22 10 ar 48 11 10 ar 49 11 53 1 50 29 13 1 51 4 44 1 52 4 31 1 53 10 52 1 54 40 6 ar 55 13 54 1 56 13 55 1 57 30 26 1 58 35 6 ar 59 6 45 1