@MOLECULE [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name) 60 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 3.9210 -0.3131 0.3084 N.ar 1 UNL1 -0.4882 2 C 3.9484 0.3185 -0.9574 C.ar 1 UNL1 0.7149 3 N 4.3905 -0.4349 -2.0398 N.ar 1 UNL1 -0.6255 4 C 4.7489 -1.8151 -1.9624 C.ar 1 UNL1 0.6174 5 C 4.6373 -2.3974 -0.6389 C.ar 1 UNL1 -0.4168 6 C 4.2203 -1.6692 0.4221 C.ar 1 UNL1 0.1701 7 O 3.6191 1.4807 -1.0967 O.2 1 UNL1 -0.5525 8 O 5.0944 -2.3480 -2.9881 O.2 1 UNL1 -0.4614 9 C 3.2457 0.3471 1.4458 C.3 1 UNL1 0.2599 10 C 3.4616 1.8884 1.5372 C.3 1 UNL1 0.0935 11 O 3.7055 2.1513 2.8904 O.3 1 UNL1 -0.5406 12 C 2.1398 2.4866 0.9839 C.3 1 UNL1 0.0682 13 C 1.1781 1.2877 0.8411 C.3 1 UNL1 0.0361 14 O 1.8699 0.1206 1.2895 O.3 1 UNL1 -0.4673 15 O 1.6450 3.3868 1.9493 O.3 1 UNL1 -0.5779 16 C 0.7064 1.0293 -0.5973 C.3 1 UNL1 -0.0545 17 O -0.7151 1.1383 -0.6745 O.3 1 UNL1 -0.3296 18 P -1.4964 2.5286 -0.8523 P.3 1 UNL1 0.3733 19 O -1.2725 3.6151 0.0817 O.2 1 UNL1 -0.2367 20 O -1.2511 2.9765 -2.3532 O.3 1 UNL1 -0.3343 21 O -3.0063 2.0271 -0.7913 O.3 1 UNL1 -0.0705 22 P -3.9097 0.7189 -0.8524 P.3 1 UNL1 0.3868 23 O -5.2691 1.1951 -0.7221 O.2 1 UNL1 -0.1650 24 O -3.6168 -0.0833 -2.1830 O.3 1 UNL1 -0.3533 25 O -3.2700 -0.0821 0.3728 O.3 1 UNL1 -0.3743 26 C -3.4756 -1.4387 0.6879 C.3 1 UNL1 0.3154 27 C -2.8837 -1.5033 2.1277 C.3 1 UNL1 0.0247 28 C -1.3434 -1.4523 2.0982 C.3 1 UNL1 0.0835 29 C -0.8311 -2.5291 1.1246 C.3 1 UNL1 0.0570 30 C -1.4043 -2.2010 -0.2697 C.3 1 UNL1 0.0226 31 C -1.0131 -3.2576 -1.3082 C.3 1 UNL1 -0.0181 32 O -3.2002 -2.7687 2.6731 O.3 1 UNL1 -0.5573 33 O -0.8250 -1.6359 3.3850 O.3 1 UNL1 -0.5306 34 O 0.5657 -2.5729 1.0321 O.3 1 UNL1 -0.5628 35 O -2.8224 -2.2741 -0.2241 O.3 1 UNL1 -0.4591 36 O -1.4776 -2.8329 -2.5735 O.3 1 UNL1 -0.5478 37 H 4.4480 0.0339 -2.9478 H 1 UNL1 0.3458 38 H 4.9026 -3.4506 -0.5574 H 1 UNL1 0.2068 39 H 4.1124 -2.1019 1.4284 H 1 UNL1 0.1808 40 H 3.5253 -0.1701 2.4003 H 1 UNL1 0.1750 41 H 4.3663 2.2501 1.0053 H 1 UNL1 0.1743 42 H 2.9422 2.6298 3.2998 H 1 UNL1 0.3542 43 H 2.3069 3.0480 0.0380 H 1 UNL1 0.1672 44 H 0.3277 1.3564 1.5643 H 1 UNL1 0.1795 45 H 0.7685 3.7350 1.6598 H 1 UNL1 0.3568 46 H 0.8399 -0.0454 -0.8666 H 1 UNL1 0.1480 47 H 1.2590 1.6310 -1.3466 H 1 UNL1 0.1545 48 H -1.4817 2.2021 -2.9860 H 1 UNL1 0.3201 49 H -2.8691 -0.7754 -2.0190 H 1 UNL1 0.3392 50 H -4.5239 -1.8137 0.6321 H 1 UNL1 0.1395 51 H -3.2971 -0.6969 2.7715 H 1 UNL1 0.1552 52 H -0.9836 -0.4292 1.8225 H 1 UNL1 0.1747 53 H -1.1013 -3.5549 1.4635 H 1 UNL1 0.1647 54 H -1.0919 -1.1866 -0.6060 H 1 UNL1 0.1622 55 H -1.4135 -4.2558 -1.0664 H 1 UNL1 0.1285 56 H 0.0873 -3.3131 -1.4263 H 1 UNL1 0.1606 57 H -4.1428 -2.8177 2.9285 H 1 UNL1 0.3241 58 H -1.1284 -2.4943 3.7588 H 1 UNL1 0.3298 59 H 0.9742 -1.6845 1.1187 H 1 UNL1 0.3400 60 H -2.4423 -2.9913 -2.6473 H 1 UNL1 0.3196 @BOND 1 8 4 2 2 48 20 1 3 37 3 1 4 60 36 1 5 36 31 1 6 20 18 1 7 24 49 1 8 24 22 1 9 3 4 ar 10 3 2 ar 11 4 5 ar 12 56 31 1 13 47 16 1 14 31 55 1 15 31 30 1 16 7 2 2 17 2 1 ar 18 46 16 1 19 22 21 1 20 22 23 2 21 22 25 1 22 18 21 1 23 18 17 1 24 18 19 2 25 17 16 1 26 5 38 1 27 5 6 ar 28 54 30 1 29 16 13 1 30 30 35 1 31 30 29 1 32 35 26 1 33 43 12 1 34 1 6 ar 35 1 9 1 36 25 26 1 37 6 39 1 38 50 26 1 39 26 27 1 40 13 12 1 41 13 14 1 42 13 44 1 43 12 10 1 44 12 15 1 45 41 10 1 46 34 59 1 47 34 29 1 48 29 53 1 49 29 28 1 50 14 9 1 51 9 10 1 52 9 40 1 53 10 11 1 54 45 15 1 55 52 28 1 56 28 27 1 57 28 33 1 58 27 32 1 59 27 51 1 60 32 57 1 61 11 42 1 62 33 58 1