@MOLECULE 5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propionylamino)propyl]guanosine 40 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.6624 2.9993 -0.0333 O.3 1 UNL1 -0.1947 2 C 4.5225 2.8258 0.0145 C.1 1 UNL1 0.6197 3 C 3.2372 2.6537 0.0503 C.1 1 UNL1 -0.5093 4 C 2.0114 2.3617 0.1090 C.3 1 UNL1 0.4490 5 N -6.4874 5.2056 -0.0450 N.1 1 UNL1 -0.2554 6 C -6.3968 4.0563 -0.1857 C.1 1 UNL1 0.2040 7 C -6.2818 2.7075 -0.3508 C.1 1 UNL1 -0.1980 8 C -6.1686 1.5000 -0.4956 C.1 1 UNL1 0.2463 9 N -6.1981 0.1801 -0.6393 N.pl3 1 UNL1 -0.4312 10 C -5.1408 -0.5802 -0.7610 C.cat 1 UNL1 0.6357 11 N -3.8333 -0.1117 -0.8101 N.pl3 1 UNL1 -0.5309 12 N -5.3215 -1.9679 -0.8644 N.pl3 1 UNL1 -0.6122 13 C -6.3319 -2.6799 -1.0310 C.1 1 UNL1 0.6515 14 O -7.0892 -3.5471 -1.1837 O.2 1 UNL1 -0.2314 15 C -2.6269 -2.3654 -0.7071 C.3 1 UNL1 0.4364 16 C -2.7520 -0.8364 -0.7326 C.2 1 UNL1 0.3026 17 N -2.5181 -2.9002 0.5059 N.1 1 UNL1 -0.6740 18 C -2.3710 -3.4797 1.5634 C.1 1 UNL1 0.5238 19 N -1.5250 -0.2207 -0.9488 N.2 1 UNL1 -0.4743 20 C -1.0531 0.7798 -0.3012 C.3 1 UNL1 0.3418 21 O 0.1621 1.2293 -0.7787 O.3 1 UNL1 -0.1955 22 C -1.4461 1.5404 0.9596 C.2 1 UNL1 0.2966 23 O -2.4538 1.4112 1.5729 O.2 1 UNL1 -0.2349 24 C -0.2304 2.4320 1.2462 C.2 1 UNL1 0.4006 25 O -0.1258 3.2168 2.1408 O.2 1 UNL1 -0.3220 26 C 0.7214 2.0834 0.2010 C.3 1 UNL1 -0.2264 27 C 1.2985 -1.1561 -1.3680 C.3 2 UNL2 0.6878 28 O 0.9763 -1.4999 -0.3133 O.3 2 UNL2 -0.3457 29 P 0.7320 -1.6460 1.3942 P.3 2 UNL2 0.3743 30 O 0.4030 -3.0432 1.5767 O.2 2 UNL2 -0.1996 31 O -0.0087 -0.4307 1.6741 O.3 2 UNL2 -0.3107 32 O 2.2875 -1.5649 1.7894 O.3 2 UNL2 -0.1537 33 P 3.6520 -0.9294 1.4153 P.3 2 UNL2 0.4102 34 O 4.6577 -1.2085 2.3966 O.2 2 UNL2 -0.1631 35 O 3.5459 0.4079 0.5569 O.3 2 UNL2 -0.2019 36 N 3.6834 -0.8618 -0.3022 N.4 2 UNL2 -0.0772 37 P 4.9825 -0.2118 -2.2707 P.3 2 UNL2 0.4054 38 O 4.9586 -0.8755 -0.8283 O.3 2 UNL2 -0.0305 39 O 3.7780 0.3625 -2.7944 O.2 2 UNL2 -0.2129 40 O 6.3250 -0.3598 -2.7590 O.2 2 UNL2 -0.2004 @BOND 1 39 37 2 2 40 37 2 3 37 38 1 4 27 28 1 5 14 13 2 6 13 12 2 7 19 16 2 8 19 20 1 9 12 10 2 10 38 36 1 11 11 10 1 12 11 16 1 13 21 20 1 14 21 26 1 15 10 9 1 16 16 15 1 17 15 17 1 18 9 8 1 19 8 7 3 20 7 6 1 21 28 29 1 22 36 35 1 23 36 33 1 24 20 22 1 25 6 5 3 26 1 2 1 27 2 3 3 28 3 4 1 29 4 26 1 30 26 24 1 31 17 18 3 32 35 33 1 33 22 24 1 34 22 23 2 35 24 25 2 36 29 30 2 37 29 31 1 38 29 32 1 39 33 32 1 40 33 34 2