@MOLECULE 5'-o-(hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-3'-o-[2-(methylamino)benzoyl]guanosine 66 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.2640 3.5943 0.2539 P.3 1 UNL1 0.3643 2 P -4.1960 1.7203 -1.3013 P.3 1 UNL1 0.4145 3 P -3.9294 -0.6428 0.7675 P.3 1 UNL1 0.3971 4 O 1.1095 0.8703 -1.0966 O.3 1 UNL1 -0.3797 5 O -0.0714 -1.4922 0.2718 O.3 1 UNL1 -0.4287 6 O 2.3922 -1.5856 1.0615 O.3 1 UNL1 -0.5308 7 O -0.7962 3.1300 -0.1748 O.3 1 UNL1 -0.2099 8 O -3.2313 2.5199 -0.3419 O.3 1 UNL1 -0.3580 9 O -1.0846 -2.1036 2.1855 O.2 1 UNL1 -0.5524 10 O -2.4381 3.2872 1.8094 O.3 1 UNL1 -0.3627 11 O -2.4605 4.9817 -0.1127 O.2 1 UNL1 -0.2130 12 O 7.6294 2.7194 0.1886 O.2 1 UNL1 -0.3486 13 O -5.5283 2.6022 -1.3619 O.3 1 UNL1 -0.3863 14 O -3.7210 1.2579 -2.5770 O.2 1 UNL1 -0.1620 15 O -3.1784 0.1292 1.9463 O.3 1 UNL1 -0.4054 16 O -5.2009 -1.1668 1.5976 O.3 1 UNL1 -0.4042 17 O -3.1741 -1.6690 0.0723 O.2 1 UNL1 -0.3059 18 N 3.3757 1.0568 -0.6559 N.ar 1 UNL1 -0.3604 19 N 5.1543 -0.6064 -0.0662 N.ar 1 UNL1 -0.5515 20 N 4.6088 2.9505 -0.5088 N.ar 1 UNL1 -0.2871 21 N 7.2781 0.4885 0.4588 N.ar 1 UNL1 -0.6112 22 N 7.0949 -1.8473 0.4952 N.pl3 1 UNL1 -0.6015 23 N 1.1875 -3.7072 -0.7169 N.pl3 1 UNL1 -0.5037 24 N -4.6823 0.6028 -0.1056 N.3 1 UNL1 -0.1863 25 C 0.3644 -0.2879 0.8610 C.3 1 UNL1 0.0607 26 C 1.9131 -0.2910 0.8398 C.3 1 UNL1 0.0254 27 C 2.2230 0.1606 -0.6260 C.3 1 UNL1 0.2170 28 C 0.0375 0.8495 -0.1345 C.3 1 UNL1 0.0505 29 C -0.0020 2.2119 0.5752 C.3 1 UNL1 -0.0749 30 C 4.6733 0.6821 -0.3364 C.ar 1 UNL1 0.1554 31 C 3.3867 2.4685 -0.7523 C.ar 1 UNL1 0.1086 32 C 5.4276 1.8702 -0.2387 C.ar 1 UNL1 -0.1371 33 C -0.7602 -2.3884 1.0576 C.2 1 UNL1 0.6902 34 C 6.8478 1.8143 0.1294 C.ar 1 UNL1 0.6108 35 C -0.9986 -3.6282 0.3269 C.ar 1 UNL1 -0.3133 36 C 6.5517 -0.5772 0.3082 C.ar 1 UNL1 0.5662 37 C -0.1055 -4.1734 -0.6298 C.ar 1 UNL1 0.3298 38 C -2.2180 -4.2701 0.5845 C.ar 1 UNL1 0.0387 39 C -0.5318 -5.2872 -1.3972 C.ar 1 UNL1 -0.3346 40 C -2.6011 -5.3856 -0.1436 C.ar 1 UNL1 -0.2921 41 C -1.7595 -5.8723 -1.1507 C.ar 1 UNL1 -0.0118 42 C 1.9987 -3.9895 -1.9032 C.3 1 UNL1 -0.2321 43 H -0.0638 -0.1504 1.8746 H 1 UNL1 0.1739 44 H 2.3368 0.3998 1.5996 H 1 UNL1 0.1516 45 H 2.3834 -0.6945 -1.3268 H 1 UNL1 0.1565 46 H -0.8547 0.6381 -0.7727 H 1 UNL1 0.2203 47 H 0.9955 2.7111 0.5156 H 1 UNL1 0.1455 48 H -0.2534 2.1041 1.6487 H 1 UNL1 0.1395 49 H 3.3738 -1.5569 1.1540 H 1 UNL1 0.3338 50 H 2.5082 3.0347 -1.0325 H 1 UNL1 0.2181 51 H 4.8472 -1.3512 -0.6913 H 1 UNL1 0.3149 52 H -2.8731 -3.8762 1.3685 H 1 UNL1 0.1702 53 H -2.7811 2.3237 1.9233 H 1 UNL1 0.3390 54 H 6.4948 -2.5718 0.8453 H 1 UNL1 0.2978 55 H 8.0332 -1.8614 0.8809 H 1 UNL1 0.3234 56 H 0.1100 -5.6896 -2.1728 H 1 UNL1 0.1619 57 H -3.5504 -5.8711 0.0543 H 1 UNL1 0.1570 58 H 1.4299 -2.8545 -0.2201 H 1 UNL1 0.3308 59 H -2.0772 -6.7306 -1.7452 H 1 UNL1 0.1425 60 H -5.3745 1.1204 0.5814 H 1 UNL1 0.3025 61 H 2.9725 -3.4817 -1.8163 H 1 UNL1 0.1385 62 H 2.1988 -5.0745 -1.9837 H 1 UNL1 0.1535 63 H 1.5115 -3.6541 -2.8366 H 1 UNL1 0.1449 64 H -5.2975 3.5675 -1.1055 H 1 UNL1 0.3360 65 H -2.5617 -0.5463 2.4235 H 1 UNL1 0.3450 66 H -5.7561 -1.7765 0.9973 H 1 UNL1 0.3188 @BOND 1 63 42 1 2 14 2 2 3 56 39 1 4 62 42 1 5 42 61 1 6 42 23 1 7 59 41 1 8 39 41 ar 9 39 37 ar 10 13 2 1 11 13 64 1 12 45 27 1 13 2 8 1 14 2 24 1 15 41 40 ar 16 4 27 1 17 4 28 1 18 50 31 1 19 46 28 1 20 31 18 ar 21 31 20 ar 22 23 37 1 23 23 58 1 24 51 19 1 25 18 27 1 26 18 30 ar 27 37 35 ar 28 27 26 1 29 20 32 ar 30 8 1 1 31 30 32 ar 32 30 19 ar 33 32 34 ar 34 7 1 1 35 7 29 1 36 40 57 1 37 40 38 ar 38 28 29 1 39 28 25 1 40 11 1 2 41 24 60 1 42 24 3 1 43 19 36 ar 44 17 3 2 45 34 12 2 46 34 21 ar 47 1 10 1 48 5 25 1 49 5 33 1 50 36 21 ar 51 36 22 1 52 35 38 ar 53 35 33 1 54 22 54 1 55 22 55 1 56 47 29 1 57 29 48 1 58 38 52 1 59 3 16 1 60 3 15 1 61 26 25 1 62 26 6 1 63 26 44 1 64 25 43 1 65 66 16 1 66 33 9 2 67 6 49 1 68 10 53 1 69 15 65 1