@MOLECULE [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-[(1s)-2-oxocyclohexyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate 51 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.8817 -1.1092 -0.0354 P.3 1 UNL1 0.3930 2 P -1.1573 -0.7072 2.5220 P.3 1 UNL1 0.4238 3 O 1.9910 -1.6010 -0.5131 O.3 1 UNL1 -0.1029 4 O -3.3778 2.5441 0.1474 O.3 1 UNL1 -0.0851 5 O 3.3112 -3.9197 1.7999 O.2 1 UNL1 -0.2509 6 O 0.5145 -4.4789 0.9336 O.2 1 UNL1 -0.3285 7 O -4.8876 3.0597 3.2926 O.2 1 UNL1 -0.3314 8 O -6.7194 3.2347 0.9293 O.2 1 UNL1 -0.2582 9 O -1.4024 -1.7768 -1.0607 O.3 1 UNL1 -0.0361 10 O -1.3810 1.2239 2.5155 O.3 1 UNL1 -0.0561 11 O 8.1850 -0.0080 -2.3400 O.2 1 UNL1 -0.3001 12 O -2.0396 -0.9050 1.2455 O.3 1 UNL1 -0.3754 13 O 0.2265 -0.6161 2.1376 O.2 1 UNL1 -0.1978 14 O 3.8024 2.4555 -1.3409 O.2 1 UNL1 -0.2970 15 O -3.0340 0.1267 -0.7697 O.2 1 UNL1 -0.2918 16 O -3.5925 -2.3585 -0.0435 O.3 1 UNL1 -0.1463 17 O -1.9212 -0.9875 3.7034 O.3 1 UNL1 -0.1452 18 N 4.1863 -1.3679 0.1939 N.pl3 1 UNL1 -0.2427 19 N -4.9746 1.8810 -1.3705 N.ar 1 UNL1 -0.4597 20 N -4.6282 0.8504 -3.4048 N.ar 1 UNL1 -0.4486 21 N -6.3570 0.0558 -0.3942 N.ar 1 UNL1 -0.3505 22 N 6.0192 2.8458 -1.4847 N.am 1 UNL1 -0.1194 23 N -6.6891 -1.8778 -1.8876 N.ar 1 UNL1 -0.3493 24 N -5.7534 -1.9909 -4.0531 N.pl3 1 UNL1 -0.0712 25 C 3.0085 -2.0946 0.2531 C.3 1 UNL1 0.0765 26 C 2.6609 -3.2903 1.0216 C.2 1 UNL1 0.3159 27 C 1.1962 -3.5556 0.6116 C.2 1 UNL1 0.4035 28 C 0.8659 -2.4197 -0.2504 C.3 1 UNL1 -0.2998 29 C -4.6150 2.8480 2.1513 C.2 1 UNL1 0.4028 30 C -5.5705 2.9212 0.9314 C.2 1 UNL1 0.3133 31 C -3.3454 2.4291 1.5639 C.3 1 UNL1 -0.3281 32 C -4.6904 2.5706 -0.2029 C.3 1 UNL1 0.1348 33 C 7.7362 1.0211 -0.1985 C.3 1 UNL1 -0.2291 34 C -0.3266 -2.0323 -0.6760 C.3 1 UNL1 0.5444 35 C 8.2299 1.8797 0.7080 C.2 1 UNL1 0.1073 36 C 6.5047 0.2714 -0.0599 C.2 1 UNL1 0.1535 37 C -2.3101 1.7852 2.0743 C.3 1 UNL1 0.5411 38 C 9.4302 2.5778 0.6582 C.2 1 UNL1 0.0635 39 C 10.1117 2.3240 -0.4629 C.2 1 UNL1 -0.0359 40 C 4.2033 -0.1314 -0.3426 C.2 1 UNL1 0.2422 41 C 8.5421 0.7465 -1.4786 C.2 1 UNL1 0.4451 42 C 9.7552 1.5377 -1.4232 C.2 1 UNL1 -0.0481 43 C 5.2167 0.7540 -0.5213 C.2 1 UNL1 -0.3138 44 C 5.4066 -1.9109 0.6848 C.3 1 UNL1 0.2440 45 C 6.4073 -0.9558 0.4744 C.2 1 UNL1 -0.2427 46 C -5.6537 0.6378 -1.3186 C.ar 1 UNL1 0.2725 47 C -4.2878 2.0443 -2.6068 C.ar 1 UNL1 0.5690 48 C -5.3521 0.0311 -2.7257 C.ar 1 UNL1 0.1285 49 C 4.9521 2.0610 -1.1334 C.2 1 UNL1 0.4251 50 C -5.9039 -1.3114 -2.9976 C.ar 1 UNL1 0.1797 51 C -6.7827 -1.1793 -0.8540 C.ar 1 UNL1 0.3622 @BOND 1 24 50 1 2 20 48 ar 3 20 47 ar 4 50 48 ar 5 50 23 ar 6 48 46 ar 7 47 19 ar 8 11 41 2 9 23 51 ar 10 22 49 am 11 41 42 1 12 41 33 1 13 42 39 2 14 19 46 ar 15 19 32 1 16 14 49 2 17 46 21 ar 18 49 43 1 19 9 34 1 20 9 1 1 21 51 21 ar 22 15 1 2 23 34 28 1 24 43 40 2 25 43 36 1 26 3 28 1 27 3 25 1 28 39 38 1 29 40 18 1 30 28 27 1 31 32 4 1 32 32 30 1 33 33 36 1 34 33 35 1 35 36 45 2 36 16 1 1 37 1 12 1 38 4 31 1 39 18 25 1 40 18 44 1 41 25 26 1 42 45 44 1 43 27 6 2 44 27 26 1 45 38 35 2 46 8 30 2 47 30 29 1 48 26 5 2 49 12 2 1 50 31 37 1 51 31 29 1 52 37 10 1 53 13 2 2 54 29 7 2 55 10 2 1 56 2 17 1