@MOLECULE 5'-o-{hydroxy[(hydroxy{[hydroxy({4-[(2-hydroxyethyl)(methyl)amino]benzyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.6780 -0.0958 -0.8664 C.3 1 UNL1 0.2474 2 C 2.2602 -1.1360 -1.9534 C.3 1 UNL1 0.0327 3 C 0.3403 -0.1153 -0.9453 C.3 1 UNL1 0.0519 4 C 0.8139 -0.7050 -2.2905 C.3 1 UNL1 0.0957 5 C 3.1877 -0.5057 1.6367 C.ar 1 UNL1 0.1460 6 C 5.8890 -3.1549 -0.7128 C.ar 1 UNL1 0.3089 7 C -1.4988 3.7577 0.6991 C.ar 1 UNL1 -0.0833 8 C -0.0155 2.1752 1.7553 C.ar 1 UNL1 -0.1195 9 C -0.4399 4.6387 0.5123 C.ar 1 UNL1 -0.2693 10 C 1.0498 3.0453 1.5748 C.ar 1 UNL1 -0.2271 11 C -0.1516 -1.1595 0.0773 C.3 1 UNL1 -0.0541 12 C -2.4580 1.5852 1.5121 C.3 1 UNL1 -0.0805 13 C 3.0746 4.5887 0.0354 C.3 1 UNL1 -0.1052 14 C 2.6652 4.1170 -1.3731 C.3 1 UNL1 -0.0429 15 C 1.6736 6.5529 0.4812 C.3 1 UNL1 -0.2634 16 H 3.9634 -1.4065 -2.8615 H 1 UNL1 0.3631 17 H 1.4932 0.2765 -3.8717 H 1 UNL1 0.3418 18 H 2.1329 5.1101 -3.0018 H 1 UNL1 0.3144 19 H 6.9902 -4.0581 2.9071 H 1 UNL1 0.3258 20 H 5.8655 -2.9941 3.6793 H 1 UNL1 0.3290 21 H -2.3746 0.6969 -0.3894 H 1 UNL1 0.3129 22 C 5.7866 -2.9817 1.6314 C.ar 1 UNL1 0.4675 23 C -1.2934 2.5230 1.3136 C.ar 1 UNL1 -0.1010 24 C 0.8491 4.2880 0.9426 C.ar 1 UNL1 0.2022 25 O -1.9240 -2.8089 -2.2486 O.2 1 UNL1 -0.2108 26 O -5.9444 -2.8168 0.2873 O.2 1 UNL1 -0.1501 27 O -5.2351 1.1576 -1.3906 O.2 1 UNL1 -0.2384 28 O 3.0783 -1.0005 -3.0794 O.3 1 UNL1 -0.5477 29 O 0.7675 0.3556 -3.2127 O.3 1 UNL1 -0.5472 30 O -1.4346 -3.9239 -0.0537 O.3 1 UNL1 -0.3812 31 O -4.2351 -2.2998 2.0971 O.3 1 UNL1 -0.3560 32 O -5.3501 1.6004 1.1567 O.3 1 UNL1 -0.3908 33 O 2.5842 5.2982 -2.1565 O.3 1 UNL1 -0.5557 34 O -1.5491 -1.3792 -0.0905 O.3 1 UNL1 -0.3347 35 O -3.6304 -2.7282 -0.3784 O.3 1 UNL1 -0.1196 36 O -4.4445 -0.5815 0.3766 O.3 1 UNL1 -0.3040 37 H -1.7989 -3.9970 0.8950 H 1 UNL1 0.3172 38 H -3.6652 -1.4947 2.3725 H 1 UNL1 0.3167 39 H -6.3566 1.5990 0.9885 H 1 UNL1 0.3235 40 O 1.5071 0.4872 -0.3512 O.3 1 UNL1 -0.4211 41 N 6.2564 -3.3790 2.8399 N.pl3 1 UNL1 -0.5444 42 N 3.9972 -1.2612 2.3774 N.ar 1 UNL1 -0.3489 43 N 4.9157 -2.2553 -0.9744 N.ar 1 UNL1 -0.5515 44 N 6.3391 -3.5334 0.5072 N.ar 1 UNL1 -0.5670 45 N 1.9708 5.1542 0.8396 N.pl3 1 UNL1 -0.4080 46 N -3.0284 1.3625 0.1314 N.3 1 UNL1 -0.2754 47 P -2.1221 -2.7041 -0.8178 P.3 1 UNL1 0.3612 48 P -4.7339 -2.0923 0.5973 P.3 1 UNL1 0.3756 49 P -4.6275 0.9192 -0.0998 P.3 1 UNL1 0.3746 50 C 4.3660 -1.6991 0.1396 C.ar 1 UNL1 0.2711 51 C 4.7510 -2.0201 1.4844 C.ar 1 UNL1 -0.1997 52 N 3.3706 -0.7425 0.2517 N.ar 1 UNL1 -0.3805 53 H 3.3022 0.7417 -1.2659 H 1 UNL1 0.1702 54 H 2.2983 -2.1854 -1.5876 H 1 UNL1 0.1538 55 H -0.3625 0.7359 -1.0801 H 1 UNL1 0.1813 56 H 0.1899 -1.5234 -2.7045 H 1 UNL1 0.1780 57 H 2.4715 0.2184 2.0002 H 1 UNL1 0.2090 58 H 0.4966 -2.0567 0.0802 H 1 UNL1 0.1338 59 H -0.1118 -0.7201 1.1019 H 1 UNL1 0.1342 60 H 6.3734 -3.6370 -1.5817 H 1 UNL1 0.2037 61 H -2.1303 0.6374 1.9987 H 1 UNL1 0.1299 62 H -3.1912 2.0624 2.2087 H 1 UNL1 0.1620 63 H -2.4966 4.0274 0.3446 H 1 UNL1 0.1702 64 H 0.1526 1.2193 2.2476 H 1 UNL1 0.1416 65 H -0.6191 5.5881 0.0169 H 1 UNL1 0.1608 66 H 2.0413 2.7816 1.9349 H 1 UNL1 0.1609 67 H 3.5110 3.7367 0.6037 H 1 UNL1 0.1479 68 H 3.8766 5.3583 -0.0529 H 1 UNL1 0.1636 69 H 0.8942 6.9500 1.1514 H 1 UNL1 0.1445 70 H 2.5834 7.1579 0.6439 H 1 UNL1 0.1513 71 H 1.3629 6.6876 -0.5690 H 1 UNL1 0.1472 72 H 3.4345 3.4608 -1.8173 H 1 UNL1 0.1225 73 H 1.6902 3.5979 -1.3737 H 1 UNL1 0.1334 @BOND 1 17 29 1 2 29 4 1 3 28 16 1 4 28 2 1 5 18 33 1 6 56 4 1 7 4 2 1 8 4 3 1 9 25 47 2 10 33 14 1 11 2 54 1 12 2 1 1 13 72 14 1 14 60 6 1 15 27 49 2 16 73 14 1 17 14 13 1 18 53 1 1 19 55 3 1 20 43 6 ar 21 43 50 ar 22 3 40 1 23 3 11 1 24 1 40 1 25 1 52 1 26 47 35 1 27 47 34 1 28 47 30 1 29 6 44 ar 30 71 15 1 31 21 46 1 32 35 48 1 33 49 46 1 34 49 36 1 35 49 32 1 36 34 11 1 37 30 37 1 38 68 13 1 39 65 9 1 40 13 67 1 41 13 45 1 42 11 58 1 43 11 59 1 44 46 12 1 45 50 52 ar 46 50 51 ar 47 52 5 ar 48 26 48 2 49 63 7 1 50 36 48 1 51 15 70 1 52 15 45 1 53 15 69 1 54 44 22 ar 55 9 7 ar 56 9 24 ar 57 48 31 1 58 7 23 ar 59 45 24 1 60 24 10 ar 61 39 32 1 62 23 12 1 63 23 8 ar 64 51 22 ar 65 51 42 ar 66 12 61 1 67 12 62 1 68 10 8 ar 69 10 66 1 70 22 41 1 71 5 57 1 72 5 42 ar 73 8 64 1 74 31 38 1 75 41 19 1 76 41 20 1