@MOLECULE (2r,3r,4r,5s)-5-[(1s)-1,2-dihydroxyethyl]-3,4-dihydroxytetrahydro-2-furanyl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) 60 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4203 -0.7183 -0.5285 C.3 1 UNL1 0.0233 2 C 2.0196 -2.0689 -0.1009 C.3 1 UNL1 0.0821 3 C 3.4679 -2.0724 -0.6699 C.3 1 UNL1 0.0410 4 C 3.6041 -0.7193 -1.4120 C.3 1 UNL1 0.2704 5 C -3.3097 1.4333 -2.3563 C.3 1 UNL1 0.0569 6 C -2.7769 -0.0140 -2.4412 C.3 1 UNL1 0.0637 7 C -3.4174 -0.7333 -1.2111 C.3 1 UNL1 0.3296 8 C -3.4479 2.6363 -0.1046 C.3 1 UNL1 0.0659 9 C -4.0303 1.5264 -0.9958 C.3 1 UNL1 0.0354 10 C 1.1581 0.2659 0.6243 C.3 1 UNL1 -0.0396 11 C -4.2490 2.7948 1.1965 C.3 1 UNL1 -0.0635 12 H -3.4265 4.6009 -0.3352 H 1 UNL1 0.3421 13 H -2.7629 2.9607 2.4890 H 1 UNL1 0.3342 14 H -4.5370 2.4926 -3.4821 H 1 UNL1 0.3305 15 H 1.2525 -3.0843 -1.6277 H 1 UNL1 0.3395 16 H 3.4570 -3.9355 -1.3365 H 1 UNL1 0.3417 17 H 5.3472 1.5143 2.1646 H 1 UNL1 0.3483 18 H -1.0340 0.1190 -1.5051 H 1 UNL1 0.3395 19 O 3.9726 -0.4075 1.3393 O.2 1 UNL1 -0.5451 20 O 6.6139 3.2439 0.9444 O.2 1 UNL1 -0.4573 21 O -0.2220 -0.4872 3.3612 O.2 1 UNL1 -0.1707 22 O -3.7727 -2.8959 1.1068 O.2 1 UNL1 -0.1890 23 O -3.5654 3.8062 -0.8960 O.3 1 UNL1 -0.5806 24 O -3.4802 3.5282 2.1240 O.3 1 UNL1 -0.5515 25 O -4.2458 1.5586 -3.4032 O.3 1 UNL1 -0.5560 26 O 1.2882 -3.1371 -0.6423 O.3 1 UNL1 -0.5603 27 O 3.5949 -3.0298 -1.6979 O.3 1 UNL1 -0.5569 28 O -2.1491 0.7807 2.2297 O.3 1 UNL1 -0.3374 29 O -1.5095 -3.5806 0.2022 O.3 1 UNL1 -0.2656 30 O -1.3799 0.0027 -2.4263 O.3 1 UNL1 -0.5367 31 O -0.2605 0.2867 0.8131 O.3 1 UNL1 -0.3302 32 O -2.3751 -1.4537 -0.6386 O.3 1 UNL1 -0.3692 33 O -1.6490 -1.6393 1.7266 O.3 1 UNL1 -0.1999 34 C 4.5665 0.3724 0.6203 C.ar 1 UNL1 0.7147 35 C 6.0182 2.3777 0.3529 C.ar 1 UNL1 0.6163 36 H -2.7000 0.7181 1.3486 H 1 UNL1 0.3460 37 H -0.5673 -3.1977 -0.0096 H 1 UNL1 0.3372 38 O 2.3474 -0.0938 -1.4215 O.3 1 UNL1 -0.4278 39 O -3.8397 0.3017 -0.3052 O.3 1 UNL1 -0.4902 40 C 5.9167 2.1744 -1.0799 C.ar 1 UNL1 -0.4189 41 C 5.1941 1.1554 -1.6002 C.ar 1 UNL1 0.1698 42 P -0.9690 -0.2718 2.1424 P.3 1 UNL1 0.3783 43 P -2.4891 -2.4268 0.6388 P.3 1 UNL1 0.3781 44 N 4.5574 0.2211 -0.7874 N.ar 1 UNL1 -0.4873 45 N 5.3124 1.4221 1.1448 N.ar 1 UNL1 -0.6234 46 H -5.1282 1.6428 -1.1316 H 1 UNL1 0.1539 47 H 1.7795 0.0508 1.5171 H 1 UNL1 0.1649 48 H 1.3749 1.3103 0.2967 H 1 UNL1 0.1476 49 H 0.5061 -0.8567 -1.1600 H 1 UNL1 0.1779 50 H 1.9815 -2.2614 0.9953 H 1 UNL1 0.1886 51 H 4.2448 -2.2625 0.0962 H 1 UNL1 0.1674 52 H 3.8762 -0.8598 -2.4917 H 1 UNL1 0.1741 53 H 6.4509 2.8906 -1.7034 H 1 UNL1 0.2072 54 H 5.0902 0.9984 -2.6836 H 1 UNL1 0.1770 55 H -2.5027 2.1841 -2.4882 H 1 UNL1 0.1586 56 H -3.0316 -0.5056 -3.4035 H 1 UNL1 0.1705 57 H -4.3289 -1.3184 -1.4518 H 1 UNL1 0.1348 58 H -2.3627 2.4807 0.0993 H 1 UNL1 0.1489 59 H -5.1498 3.4217 1.0512 H 1 UNL1 0.1536 60 H -4.5509 1.8211 1.6285 H 1 UNL1 0.1478 @BOND 1 14 25 1 2 56 6 1 3 25 5 1 4 54 41 1 5 52 4 1 6 55 5 1 7 6 30 1 8 6 5 1 9 6 7 1 10 30 18 1 11 5 9 1 12 53 40 1 13 27 16 1 14 27 3 1 15 15 26 1 16 41 40 ar 17 41 44 ar 18 57 7 1 19 38 4 1 20 38 1 1 21 4 44 1 22 4 3 1 23 7 32 1 24 7 39 1 25 49 1 1 26 46 9 1 27 40 35 ar 28 9 39 1 29 9 8 1 30 23 12 1 31 23 8 1 32 44 34 ar 33 3 2 1 34 3 51 1 35 26 2 1 36 32 43 1 37 1 2 1 38 1 10 1 39 8 58 1 40 8 11 1 41 2 50 1 42 37 29 1 43 29 43 1 44 48 10 1 45 35 20 2 46 35 45 ar 47 34 45 ar 48 34 19 2 49 10 31 1 50 10 47 1 51 43 22 2 52 43 33 1 53 31 42 1 54 59 11 1 55 45 17 1 56 11 60 1 57 11 24 1 58 36 28 1 59 33 42 1 60 24 13 1 61 42 28 1 62 42 21 2