@MOLECULE [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate 54 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.8401 -1.7277 -0.0221 C.ar 1 UNL1 0.3658 2 N 5.0326 -2.1402 -0.2718 N.ar 1 UNL1 -0.5181 3 C -6.1267 -0.9742 -0.1446 C.ar 1 UNL1 -0.0562 4 N -3.6757 -1.0002 -0.3456 N.ar 1 UNL1 -0.2578 5 C 4.9348 -0.7951 -0.3313 C.3 1 UNL1 0.3223 6 N -4.7544 -2.9702 0.3602 N.2 1 UNL1 -0.4522 7 N -6.2396 0.2671 -0.4999 N.ar 1 UNL1 -0.1851 8 C 3.9404 -2.9647 0.1409 C.ar 1 UNL1 0.1725 9 C 4.4746 -4.3943 -0.0988 C.ar 1 UNL1 0.1921 10 N -7.0964 -3.1316 0.1251 N.am 1 UNL1 -0.4081 11 C -7.3749 -1.7698 0.2148 C.2 1 UNL1 0.5301 12 N 5.6827 -4.3422 -0.5560 N.ar 1 UNL1 -0.4798 13 C 6.0075 0.3536 -0.5091 C.2 1 UNL1 0.2902 14 C -5.9290 -3.7133 0.6862 C.1 1 UNL1 0.6494 15 C -3.8121 0.3473 -0.6752 C.ar 1 UNL1 -0.0241 16 C 6.1694 -2.9976 -0.7183 C.ar 1 UNL1 0.6668 17 O 3.7394 -0.3033 -0.1453 O.2 1 UNL1 -0.0319 18 C -5.0815 0.9625 -0.7622 C.ar 1 UNL1 0.1198 19 P 1.8781 4.2161 0.8381 P.3 1 UNL1 0.3340 20 P -0.2981 2.3174 1.8083 P.3 1 UNL1 0.3355 21 O 0.9078 3.3000 1.7404 O.3 1 UNL1 -0.2138 22 C 3.7807 1.1178 -0.2213 C.2 1 UNL1 -0.3716 23 C 5.0907 1.6374 -0.3777 C.2 1 UNL1 0.4254 24 C -2.4256 -1.6386 -0.3586 C.ar 1 UNL1 0.2007 25 C 3.5537 -5.4965 0.2522 C.ar 1 UNL1 0.1537 26 N 2.7920 -2.6650 0.6560 N.ar 1 UNL1 -0.2728 27 C -2.5809 1.0924 -0.9304 C.ar 1 UNL1 0.4164 28 C -1.3398 -0.8771 -0.6911 C.ar 1 UNL1 -0.3104 29 N 2.2654 -5.0626 0.7985 N.ar 1 UNL1 -0.3124 30 C 0.0108 -1.3336 -0.7371 C.2 1 UNL1 0.4628 31 C -5.0606 2.3239 -1.1146 C.ar 1 UNL1 -0.2481 32 C -2.6166 2.4906 -1.2064 C.ar 1 UNL1 -0.2923 33 C 2.5247 1.7180 -0.1559 C.2 1 UNL1 0.4549 34 C -3.8969 3.0383 -1.3121 C.ar 1 UNL1 -0.2020 35 C 2.0662 -3.8299 0.9087 C.ar 1 UNL1 0.4179 36 O 2.3525 2.9494 -0.2935 O.2 1 UNL1 -0.3023 37 O 0.4621 0.9310 0.8789 O.3 1 UNL1 -0.1102 38 C 1.0904 -0.2831 -1.0396 C.2 1 UNL1 0.2818 39 C 1.3060 0.8160 0.0048 C.3 1 UNL1 0.2300 40 O -8.4396 -1.2962 0.4873 O.2 1 UNL1 -0.2962 41 O -0.4070 1.7270 3.1204 O.3 1 UNL1 -0.1216 42 O 3.0317 4.3115 1.7075 O.3 1 UNL1 -0.1577 43 O -5.9159 -4.7478 1.2832 O.2 1 UNL1 -0.3133 44 O 7.1516 0.1567 -0.6851 O.2 1 UNL1 -0.2004 45 O -1.3463 2.4543 0.7836 O.2 1 UNL1 -0.4289 46 O 1.2520 5.1005 -0.1180 O.2 1 UNL1 -0.2161 47 C -1.5034 3.3073 -1.1909 C.1 1 UNL1 0.6131 48 O -0.6416 4.0414 -1.3154 O.2 1 UNL1 0.0151 49 N 3.7874 -6.7374 0.1229 N.pl3 1 UNL1 -0.0033 50 O 5.5830 2.7177 -0.4398 O.2 1 UNL1 -0.2689 51 O -1.4096 0.5145 -1.0025 O.2 1 UNL1 -0.1862 52 O 0.4120 -2.4602 -0.5654 O.2 1 UNL1 -0.4255 53 O 1.7729 -0.3069 -2.0240 O.2 1 UNL1 -0.3540 54 C -5.1929 3.7117 -1.4340 C.3 1 UNL1 0.3710 @BOND 1 53 38 2 2 54 34 1 3 54 31 1 4 48 47 2 5 34 32 ar 6 34 31 ar 7 32 47 2 8 32 27 ar 9 31 18 ar 10 38 30 1 11 38 39 1 12 51 27 ar 13 51 28 ar 14 27 15 ar 15 18 15 ar 16 18 7 ar 17 30 28 1 18 30 52 2 19 16 12 ar 20 16 2 ar 21 28 24 ar 22 44 13 2 23 15 4 ar 24 12 9 ar 25 13 23 1 26 13 5 1 27 7 3 ar 28 50 23 2 29 23 22 1 30 24 4 ar 31 4 1 ar 32 5 2 1 33 5 17 1 34 36 33 1 35 36 19 1 36 2 8 ar 37 22 33 2 38 22 17 1 39 33 39 1 40 3 1 ar 41 3 11 1 42 46 19 2 43 9 8 ar 44 9 25 ar 45 1 6 1 46 39 37 1 47 49 25 1 48 10 11 am 49 10 14 am 50 8 26 ar 51 11 40 2 52 25 29 ar 53 6 14 2 54 26 35 ar 55 14 43 2 56 45 20 2 57 29 35 ar 58 19 42 1 59 19 21 1 60 37 20 1 61 21 20 1 62 20 41 1