@MOLECULE 2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-o-[2-(methylamino)benzoyl]guanosine 65 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.3522 -3.6859 -0.0697 P.3 1 UNL1 0.3676 2 P -3.9617 -1.5842 1.5624 P.3 1 UNL1 0.4127 3 P -3.7983 0.8185 -0.4710 P.3 1 UNL1 0.3920 4 O 1.0714 -1.2639 0.2451 O.3 1 UNL1 -0.3892 5 O -0.0456 1.5574 -0.6095 O.3 1 UNL1 -0.4785 6 O -0.9048 -3.0953 -0.3661 O.3 1 UNL1 -0.1797 7 O -3.0947 -2.5315 0.6698 O.3 1 UNL1 -0.3673 8 O -1.3162 2.3238 -2.2914 O.2 1 UNL1 -0.5522 9 O -3.1325 -3.7330 -1.4635 O.3 1 UNL1 -0.3721 10 O -2.2159 -4.9660 0.5912 O.2 1 UNL1 -0.1806 11 O 7.7518 -2.6248 -0.0399 O.2 1 UNL1 -0.3640 12 O -5.3519 -2.3728 1.6808 O.3 1 UNL1 -0.3883 13 O -3.3402 -1.1374 2.7833 O.2 1 UNL1 -0.1899 14 O -3.3295 0.1003 -1.8177 O.3 1 UNL1 -0.3916 15 O -5.1367 1.5108 -1.0236 O.3 1 UNL1 -0.4008 16 O -2.8518 1.7185 0.1650 O.2 1 UNL1 -0.3105 17 N 3.3264 -1.2171 -0.1521 N.ar 1 UNL1 -0.3656 18 N 5.0822 0.5058 0.2975 N.ar 1 UNL1 -0.5308 19 N 4.6826 -3.0129 -0.4045 N.ar 1 UNL1 -0.2875 20 N 7.3196 -0.4226 0.3175 N.ar 1 UNL1 -0.6138 21 N 6.9443 1.8316 0.9035 N.pl3 1 UNL1 -0.6129 22 N 1.4539 3.5228 0.4174 N.pl3 1 UNL1 -0.5065 23 N -4.4940 -0.4512 0.4082 N.3 1 UNL1 -0.1907 24 C 0.2547 0.3670 -1.3229 C.3 1 UNL1 0.1024 25 C -0.1285 -0.8222 -0.4090 C.3 1 UNL1 0.0606 26 C 1.7883 0.3118 -1.3864 C.3 1 UNL1 -0.4058 27 C 2.1357 -0.3874 -0.0552 C.3 1 UNL1 0.2885 28 C -0.6451 -1.9989 -1.2485 C.3 1 UNL1 -0.0652 29 C 4.6264 -0.7828 0.0541 C.ar 1 UNL1 0.1921 30 C 3.4126 -2.6063 -0.4246 C.ar 1 UNL1 0.1178 31 C 5.4649 -1.9081 -0.1125 C.ar 1 UNL1 -0.1492 32 C -0.7958 2.5274 -1.2203 C.2 1 UNL1 0.6983 33 C 6.9155 -1.7706 0.0432 C.ar 1 UNL1 0.6158 34 C -0.8055 3.7716 -0.4492 C.ar 1 UNL1 -0.2881 35 C 6.4968 0.5694 0.4839 C.ar 1 UNL1 0.5727 36 C 0.2463 4.2148 0.3897 C.ar 1 UNL1 0.3082 37 C -1.9539 4.5608 -0.5968 C.ar 1 UNL1 0.0194 38 C 0.0924 5.4328 1.0894 C.ar 1 UNL1 -0.3199 39 C -2.0862 5.7601 0.0876 C.ar 1 UNL1 -0.2749 40 C -1.0591 6.1858 0.9350 C.ar 1 UNL1 -0.0217 41 C 2.3764 3.7426 1.5389 C.3 1 UNL1 -0.2383 42 H -0.2409 0.3589 -2.3133 H 1 UNL1 0.1635 43 H -0.7999 -0.5316 0.4323 H 1 UNL1 0.2074 44 H 2.2481 1.3060 -1.4902 H 1 UNL1 0.1716 45 H 2.1402 -0.2691 -2.2585 H 1 UNL1 0.1826 46 H 2.2368 0.3215 0.8044 H 1 UNL1 0.1313 47 H 0.1680 -2.4173 -1.8870 H 1 UNL1 0.1365 48 H -1.4741 -1.6667 -1.9060 H 1 UNL1 0.1469 49 H 2.5326 -3.2116 -0.5896 H 1 UNL1 0.2152 50 H 4.4688 1.1987 0.6965 H 1 UNL1 0.3166 51 H -2.7539 4.2181 -1.2624 H 1 UNL1 0.1721 52 H -3.6813 -2.8779 -1.5681 H 1 UNL1 0.3235 53 H 6.5567 2.6342 0.4373 H 1 UNL1 0.2918 54 H 7.9488 1.8956 1.0347 H 1 UNL1 0.3170 55 H 0.8799 5.7878 1.7464 H 1 UNL1 0.1640 56 H -2.9822 6.3621 -0.0285 H 1 UNL1 0.1601 57 H 1.4079 2.5559 0.1066 H 1 UNL1 0.3085 58 H -1.1677 7.1241 1.4818 H 1 UNL1 0.1472 59 H -5.2376 -0.9421 -0.2402 H 1 UNL1 0.3017 60 H 3.2237 3.0434 1.4634 H 1 UNL1 0.1352 61 H 2.7921 4.7666 1.4922 H 1 UNL1 0.1559 62 H 1.8984 3.6059 2.5252 H 1 UNL1 0.1448 63 H -5.1720 -3.2202 2.2284 H 1 UNL1 0.3328 64 H -2.8542 0.8090 -2.3981 H 1 UNL1 0.3412 65 H -5.5422 2.0778 -0.2787 H 1 UNL1 0.3202 @BOND 1 64 14 1 2 42 24 1 3 8 32 2 4 45 26 1 5 48 28 1 6 47 28 1 7 14 3 1 8 52 9 1 9 44 26 1 10 9 1 1 11 26 24 1 12 26 27 1 13 24 5 1 14 24 25 1 15 51 37 1 16 28 25 1 17 28 6 1 18 32 5 1 19 32 34 1 20 15 3 1 21 15 65 1 22 37 34 ar 23 37 39 ar 24 49 30 1 25 3 16 2 26 3 23 1 27 34 36 ar 28 30 19 ar 29 30 17 ar 30 25 4 1 31 25 43 1 32 19 31 ar 33 6 1 1 34 59 23 1 35 17 27 1 36 17 29 ar 37 31 33 ar 38 31 29 ar 39 1 10 2 40 1 7 1 41 27 4 1 42 27 46 1 43 11 33 2 44 56 39 1 45 33 20 ar 46 29 18 ar 47 39 40 ar 48 57 22 1 49 18 35 ar 50 18 50 1 51 20 35 ar 52 36 22 1 53 36 38 ar 54 23 2 1 55 22 41 1 56 53 21 1 57 35 21 1 58 7 2 1 59 21 54 1 60 40 38 ar 61 40 58 1 62 38 55 1 63 60 41 1 64 61 41 1 65 41 62 1 66 2 12 1 67 2 13 2 68 12 63 1