@MOLECULE [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(3s)-3-carbamoyl-3,6-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate 48 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.6353 -4.5265 0.2337 O.2 1 UNL1 -0.1598 2 P -3.2569 -3.1492 0.0496 P.3 1 UNL1 0.3955 3 O -4.1057 -2.2547 -0.9784 O.3 1 UNL1 0.0287 4 O -3.4090 -2.2355 1.3787 O.3 1 UNL1 -0.2920 5 C -5.5333 -1.0211 2.6624 C.2 1 UNL1 0.5137 6 C -4.6803 -0.3137 1.9180 C.2 1 UNL1 -0.5028 7 C -3.7195 -0.9329 0.9816 C.3 1 UNL1 0.5351 8 O -4.2861 -0.9780 -0.3394 O.3 1 UNL1 -0.2044 9 C -2.5194 0.8127 0.0314 C.3 1 UNL1 0.0498 10 O -2.4987 -0.1836 0.9641 O.3 1 UNL1 -0.2988 11 C -4.1102 2.0298 1.5227 C.3 1 UNL1 0.4142 12 N -3.1510 1.9998 0.5247 N.pl3 1 UNL1 -0.3909 13 C -2.7298 3.1767 0.0291 C.1 1 UNL1 0.1711 14 C -2.3643 4.2482 -0.4218 C.1 1 UNL1 -0.1445 15 C -1.9538 5.4426 -0.9428 C.1 1 UNL1 0.1890 16 C -1.4112 0.4200 -2.2707 C.1 1 UNL1 -0.4458 17 C -0.8158 0.1881 -3.4013 C.1 1 UNL1 0.6153 18 O -0.3378 -0.0095 -4.4335 O.3 1 UNL1 -0.1926 19 N -1.6080 6.4592 -1.3832 N.1 1 UNL1 -0.2270 20 C -1.9742 0.6297 -1.1636 C.3 1 UNL1 0.2811 21 O -4.7150 1.0710 2.0715 O.2 1 UNL1 -0.2294 22 O -1.8126 -2.9649 -0.4919 O.3 1 UNL1 -0.2613 23 P -0.3132 -2.5963 -0.5872 P.3 1 UNL1 0.4303 24 O 0.0336 -2.7041 -1.9738 O.2 1 UNL1 -0.1317 25 O 0.3241 -2.2999 0.6572 O.2 1 UNL1 -0.1371 26 O -0.1849 4.5165 2.5121 O.2 2 UNL2 -0.1479 27 C 0.2520 3.6252 1.9270 C.1 2 UNL2 0.5163 28 C 0.7381 2.6147 1.2189 C.2 2 UNL2 -0.3310 29 C 0.6489 2.3517 -0.2256 C.2 2 UNL2 0.4970 30 O 0.1192 3.0260 -1.0631 O.2 2 UNL2 -0.4207 31 O 1.4577 1.5997 1.8832 O.2 2 UNL2 -0.1666 32 C 1.8045 0.6938 0.8809 C.2 2 UNL2 0.2888 33 C 1.3703 1.0506 -0.3580 C.2 2 UNL2 -0.0099 34 O 1.3304 0.4100 -1.5509 O.2 2 UNL2 -0.1431 35 P 2.6388 -0.1351 -2.2711 P.3 2 UNL2 0.4287 36 O 2.2295 -0.5868 -3.5677 O.2 2 UNL2 -0.1706 37 O 3.6342 -0.8426 -1.2749 O.3 2 UNL2 -0.1376 38 O 3.9532 0.6051 -1.8444 O.3 2 UNL2 -0.0385 39 N 2.5802 -0.3602 1.3613 N.ar 2 UNL2 -0.4924 40 C 4.0196 -0.2833 1.3291 C.ar 2 UNL2 0.3104 41 N 4.6403 0.7928 1.0382 N.pl3 2 UNL2 -0.3047 42 C 5.9802 0.9532 0.9886 C.1 2 UNL2 0.2078 43 N 7.1022 1.2406 0.9042 N.1 2 UNL2 -0.1800 44 C 5.7419 -2.1464 1.8779 C.1 2 UNL2 0.0530 45 N 6.8361 -2.5087 1.9662 N.1 2 UNL2 -0.0931 46 C 4.3964 -1.7177 1.7734 C.ar 2 UNL2 0.1757 47 N 3.3346 -2.4044 2.0244 N.ar 2 UNL2 -0.4422 48 C 2.1041 -1.6104 1.7941 C.ar 2 UNL2 0.5949 @BOND 1 18 17 1 2 36 35 2 3 17 16 3 4 35 38 1 5 35 34 1 6 35 37 1 7 16 20 1 8 24 23 2 9 38 37 1 10 34 33 1 11 19 15 3 12 20 9 1 13 30 29 2 14 3 8 1 15 3 2 1 16 15 14 1 17 23 22 1 18 23 25 2 19 22 2 1 20 14 13 3 21 33 29 1 22 33 32 2 23 8 7 1 24 29 28 1 25 13 12 1 26 9 12 1 27 9 10 1 28 2 1 2 29 2 4 1 30 12 11 1 31 32 39 1 32 32 31 1 33 43 42 3 34 10 7 1 35 7 4 1 36 7 6 1 37 42 41 1 38 41 40 1 39 28 31 1 40 28 27 2 41 40 39 ar 42 40 46 ar 43 39 48 ar 44 11 21 1 45 46 44 1 46 46 47 ar 47 48 47 ar 48 44 45 3 49 6 21 1 50 6 5 2 51 27 26 2