@MOLECULE [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[5-[3-carbamoyl-4-(2-ethylpyridine-4-carbonyl)-4h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate 54 59 0 0 0 SMALL GASTEIGER **** Created by: Ligand Depot @ATOM 1 P -0.6000 33.5150 0.0000 P.3 1 UNL11 0.1603 2 O -0.9360 32.1370 0.0000 O.2 1 UNL11 -0.3166 3 O 0.3480 34.3390 0.0000 O.3 1 UNL11 0.0000 4 O 0.0520 33.5410 0.0000 O.3 1 UNL11 -0.3029 5 C -0.4150 32.9220 0.0000 C.3 1 UNL11 0.2881 6 C 0.2950 31.7420 0.0000 C.3 1 UNL11 0.2168 7 O -0.5220 30.5020 0.0000 O.3 1 UNL11 -0.2799 8 C 1.4960 31.2410 0.0000 C.3 1 UNL11 0.2364 9 O 2.6270 31.9920 0.0000 O.3 1 UNL11 -0.2856 10 C 1.5930 29.8200 0.0000 C.3 1 UNL11 0.2007 11 O 2.8850 29.3110 0.0000 O.3 1 UNL11 -0.0413 12 C 0.4820 29.7770 0.0000 C.3 1 UNL11 0.2703 13 N 0.4660 28.2540 0.0000 N.ar 1 UNL11 -0.0707 14 C -0.3720 27.2020 0.0000 C.ar 1 UNL11 0.2845 15 N -0.3790 26.3370 0.0000 N.ar 1 UNL11 -0.1631 16 C 0.4490 26.8380 0.0000 C.ar 1 UNL11 0.2476 17 C 0.8370 26.2970 0.0000 C.ar 1 UNL11 0.4204 18 N 0.3490 25.2850 0.0000 N.pl3 1 UNL11 0.1942 19 N 1.7430 26.9950 0.0000 N.ar 1 UNL11 0.0645 20 C 2.2990 28.1890 0.0000 C.ar 1 UNL11 0.2271 21 N 1.9750 28.7280 0.0000 N.ar 1 UNL11 -0.1536 22 C 1.0040 28.0400 0.0000 C.ar 1 UNL11 0.4628 23 O -1.9960 34.2570 0.0000 O.3 1 UNL11 0.0000 24 P -2.6300 35.5610 0.0000 P.3 1 UNL11 0.0000 25 O -3.7450 36.1180 0.0000 O.2 1 UNL11 -0.2938 26 O -1.4010 36.3840 0.0000 O.3 1 UNL11 0.0000 27 O -3.2010 35.0250 0.0000 O.3 1 UNL11 -0.1840 28 C -2.7650 35.5090 0.0000 C.3 1 UNL11 0.3309 29 C -3.9300 35.7370 0.0000 C.3 1 UNL11 0.3309 30 O -4.7420 36.8010 0.0000 O.3 1 UNL11 -0.1840 31 C -4.9240 34.5510 0.0000 C.3 1 UNL11 0.1771 32 O -5.3810 34.3950 0.0000 O.3 1 UNL11 -0.3220 33 C -6.0070 34.8400 0.0000 C.3 1 UNL11 0.3290 34 O -7.2730 34.1830 0.0000 O.3 1 UNL11 -0.1841 35 C -6.0950 36.3430 0.0000 C.3 1 UNL11 0.1742 36 N -6.8950 36.9320 0.0000 N.pl3 1 UNL11 -0.1795 37 C -6.5380 36.8950 0.0000 C.2 1 UNL11 0.1742 38 C -7.4170 37.4840 0.0000 C.2 1 UNL11 0.0193 39 C -7.0520 37.4700 0.0000 C.2 1 UNL11 0.1795 40 O -5.9960 36.9570 0.0000 O.2 1 UNL11 -0.3484 41 N -7.9460 38.0510 0.0000 N.am 1 UNL11 -0.2175 42 C -8.6860 38.1050 0.0000 C.3 1 UNL11 0.1074 43 C -8.9470 38.1290 0.0000 C.2 1 UNL11 0.0865 44 C -8.0810 37.5550 0.0000 C.2 1 UNL11 0.0806 45 C -9.9550 37.2320 0.0000 C.2 1 UNL11 0.1745 46 O -9.7680 35.9860 0.0000 O.2 1 UNL11 -0.2913 47 N -14.0490 38.5950 0.0000 N.ar 1 UNL11 -0.2481 48 C -13.0990 39.5270 0.0000 C.ar 1 UNL11 0.0985 49 C -11.7690 39.1220 0.0000 C.ar 1 UNL11 0.0235 50 C -11.4100 37.7500 0.0000 C.ar 1 UNL11 0.0375 51 C -12.4350 36.8010 0.0000 C.ar 1 UNL11 0.0176 52 C -13.7800 37.2770 0.0000 C.ar 1 UNL11 0.0591 53 C -14.9640 36.4000 0.0000 C.3 1 UNL11 0.0458 54 C -15.9170 37.0530 0.0000 C.3 1 UNL11 0.0067 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 23 1 5 4 5 1 6 5 6 1 7 6 7 1 8 6 8 1 9 7 12 1 10 8 9 1 11 8 10 1 12 10 11 1 13 10 12 1 14 12 13 1 15 13 14 ar 16 13 22 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 16 22 ar 21 17 18 1 22 17 19 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 23 24 1 27 24 25 2 28 24 26 1 29 24 27 1 30 27 28 1 31 28 29 1 32 29 30 1 33 29 31 1 34 30 35 1 35 31 32 1 36 31 33 1 37 33 34 1 38 33 35 1 39 35 36 1 40 36 37 1 41 36 44 1 42 37 38 2 43 38 39 1 44 38 42 1 45 39 40 2 46 39 41 am 47 42 43 1 48 42 45 1 49 43 44 2 50 45 46 2 51 45 50 1 52 47 48 ar 53 47 52 ar 54 48 49 ar 55 49 50 ar 56 50 51 ar 57 51 52 ar 58 52 53 1 59 53 54 1