@MOLECULE [3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl 3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate 61 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.9962 -0.2663 -1.0612 C.3 1 UNL1 0.0133 2 C 3.9728 -1.1048 -1.8370 C.3 1 UNL1 0.0470 3 C 3.8634 -2.6409 0.1851 C.3 1 UNL1 0.1350 4 C 4.2751 -4.0063 0.7209 C.3 1 UNL1 -0.4663 5 O 3.4340 0.1609 0.5955 O.3 1 UNL1 -0.4317 6 O 4.9539 1.0680 -1.4925 O.3 1 UNL1 -0.5339 7 O -6.0528 -3.0449 1.9756 O.2 1 UNL1 -0.4679 8 C -5.7063 -2.2394 1.1450 C.ar 1 UNL1 0.6011 9 C -5.9654 -2.2663 -0.2917 C.ar 1 UNL1 -0.2208 10 C -6.7287 -3.4248 -0.8157 C.3 1 UNL1 -0.4106 11 C -5.5081 -1.2734 -1.0929 C.ar 1 UNL1 0.1025 12 N -4.9518 -1.1240 1.5990 N.ar 1 UNL1 -0.6315 13 C -4.4782 -0.1005 0.7742 C.ar 1 UNL1 0.7146 14 O -3.8278 0.8134 1.2395 O.2 1 UNL1 -0.5339 15 N -4.8256 -0.1682 -0.5900 N.ar 1 UNL1 -0.4925 16 C -4.2171 0.7837 -1.5558 C.3 1 UNL1 0.3226 17 O -2.8751 0.4043 -1.7233 O.3 1 UNL1 -0.4386 18 C -4.2658 2.2409 -1.0882 C.3 1 UNL1 -0.3622 19 C -2.8129 2.5872 -0.7185 C.3 1 UNL1 0.1423 20 O -2.4902 3.7355 -1.4755 O.3 1 UNL1 -0.5727 21 C -1.9701 1.3867 -1.2069 C.3 1 UNL1 0.0279 22 C -1.1465 0.6907 -0.1128 C.3 1 UNL1 -0.0337 23 O 0.2439 1.0070 -0.2374 O.3 1 UNL1 -0.3306 24 P 0.9094 2.3382 0.3612 P.3 1 UNL1 0.3822 25 O 1.8446 2.7661 -0.8498 O.3 1 UNL1 -0.3121 26 O 0.1171 3.4400 0.8657 O.2 1 UNL1 -0.2116 27 O 1.8676 1.7894 1.5040 O.3 1 UNL1 -0.1457 28 P 2.7192 0.5392 1.9880 P.3 1 UNL1 0.3911 29 O 1.7412 -0.6756 2.2393 O.3 1 UNL1 -0.2995 30 O 3.5026 0.9357 3.1340 O.2 1 UNL1 -0.1620 31 C 4.7214 -0.4010 0.4662 C.3 1 UNL1 0.3266 32 O 4.3354 -1.1707 -3.2033 O.3 1 UNL1 -0.5765 33 C 4.0197 -2.5654 -1.3520 C.3 1 UNL1 0.0621 34 O 2.8921 -3.2564 -1.8524 O.3 1 UNL1 -0.5575 35 O 4.7705 -1.7475 0.8215 O.3 1 UNL1 -0.4429 36 H 6.0425 -0.5716 -1.2952 H 1 UNL1 0.1667 37 H 2.9434 -0.6841 -1.7763 H 1 UNL1 0.1557 38 H 2.8198 -2.3886 0.4750 H 1 UNL1 0.1485 39 H 5.3444 -4.1965 0.5691 H 1 UNL1 0.1562 40 H 4.0863 -4.0765 1.8001 H 1 UNL1 0.1615 41 H 3.7104 -4.8028 0.2194 H 1 UNL1 0.1643 42 H 4.1394 1.5114 -1.1669 H 1 UNL1 0.3210 43 H -7.3294 -3.9093 -0.0246 H 1 UNL1 0.1795 44 H -7.4252 -3.1455 -1.6175 H 1 UNL1 0.1523 45 H -6.0569 -4.2033 -1.2120 H 1 UNL1 0.1624 46 H -5.6754 -1.2808 -2.1782 H 1 UNL1 0.1753 47 H -4.7393 -1.0558 2.5986 H 1 UNL1 0.3467 48 H -4.6903 0.6160 -2.5558 H 1 UNL1 0.1434 49 H -4.6172 2.9116 -1.8985 H 1 UNL1 0.1809 50 H -4.9516 2.4056 -0.2393 H 1 UNL1 0.1813 51 H -2.6872 2.8146 0.3617 H 1 UNL1 0.1586 52 H -1.6260 4.0973 -1.1839 H 1 UNL1 0.3375 53 H -1.3474 1.6588 -2.0935 H 1 UNL1 0.1694 54 H -1.5663 0.8459 0.9020 H 1 UNL1 0.1590 55 H -1.1031 -0.4079 -0.3097 H 1 UNL1 0.1504 56 H 2.5367 2.0286 -1.0212 H 1 UNL1 0.3048 57 H 1.1829 -0.8404 1.3878 H 1 UNL1 0.3229 58 H 5.5128 0.0581 1.1032 H 1 UNL1 0.1539 59 H 4.5707 -0.2757 -3.5313 H 1 UNL1 0.3373 60 H 4.9374 -3.0769 -1.7139 H 1 UNL1 0.1422 61 H 2.8617 -3.1655 -2.8301 H 1 UNL1 0.3344 @BOND 1 59 32 1 2 32 2 1 3 61 34 1 4 48 16 1 5 46 11 1 6 53 21 1 7 49 18 1 8 34 33 1 9 2 37 1 10 2 33 1 11 2 1 1 12 17 16 1 13 17 21 1 14 60 33 1 15 44 10 1 16 16 18 1 17 16 15 1 18 6 42 1 19 6 1 1 20 20 52 1 21 20 19 1 22 33 3 1 23 36 1 1 24 45 10 1 25 21 19 1 26 21 22 1 27 11 15 ar 28 11 9 ar 29 18 19 1 30 18 50 1 31 1 31 1 32 56 25 1 33 25 24 1 34 10 9 1 35 10 43 1 36 19 51 1 37 15 13 ar 38 55 22 1 39 9 8 ar 40 23 22 1 41 23 24 1 42 22 54 1 43 3 38 1 44 3 4 1 45 3 35 1 46 41 4 1 47 24 26 2 48 24 27 1 49 31 5 1 50 31 35 1 51 31 58 1 52 39 4 1 53 5 28 1 54 4 40 1 55 13 14 2 56 13 12 ar 57 8 12 ar 58 8 7 2 59 57 29 1 60 27 28 1 61 12 47 1 62 28 29 1 63 28 30 2