@MOLECULE (2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) 63 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.5884 -0.7794 -1.5894 C.3 1 UNL1 0.3235 2 C 2.3462 -1.3880 -1.2283 C.3 1 UNL1 0.0283 3 C 3.1984 -2.4857 -0.5514 C.3 1 UNL1 0.1462 4 C -4.4518 0.0959 0.8079 C.3 1 UNL1 0.3884 5 C -5.9109 0.7478 -1.1331 C.3 1 UNL1 0.0521 6 C -5.3243 2.1721 -1.0048 C.3 1 UNL1 0.0599 7 C -4.8711 2.4265 0.4527 C.3 1 UNL1 0.1493 8 C 1.4153 -0.6172 -0.2792 C.3 1 UNL1 -0.0339 9 C -4.1172 3.7390 0.5950 C.3 1 UNL1 -0.4659 10 C 7.1200 3.4838 -1.3539 C.3 1 UNL1 -0.4048 11 C -7.1021 -0.2742 -2.9226 C.3 1 UNL1 -0.1939 12 H 2.0476 -4.0689 -0.8177 H 1 UNL1 0.3425 13 H -6.7251 2.9710 -2.1349 H 1 UNL1 0.3314 14 H 5.0585 1.5875 2.2932 H 1 UNL1 0.3465 15 O -2.5381 -0.9376 3.5270 O.2 1 UNL1 -0.1852 16 O 0.1821 -3.4189 0.6426 O.2 1 UNL1 -0.2417 17 O 4.1389 -0.4309 1.1699 O.2 1 UNL1 -0.5246 18 O 6.4280 3.4555 1.4383 O.2 1 UNL1 -0.4719 19 C 4.6524 -2.1635 -0.9369 C.3 1 UNL1 -0.3650 20 C -4.9269 -0.2954 -0.6051 C.3 1 UNL1 -0.4024 21 O -1.5629 0.8362 1.9428 O.3 1 UNL1 -0.3357 22 O -1.7482 -2.6173 -0.7968 O.3 1 UNL1 -0.3010 23 O 2.9157 -3.7380 -1.1390 O.3 1 UNL1 -0.5781 24 O -6.3449 3.1186 -1.2416 O.3 1 UNL1 -0.5580 25 O -1.2473 -1.7026 1.6047 O.3 1 UNL1 -0.0723 26 O -3.3736 -0.7582 1.0425 O.3 1 UNL1 -0.3866 27 O 0.0607 -1.0310 -0.5148 O.3 1 UNL1 -0.2955 28 O -6.0444 0.5825 -2.5375 O.3 1 UNL1 -0.4042 29 C 4.8110 0.4057 0.6037 C.ar 1 UNL1 0.7151 30 C 6.3374 2.4015 -0.7108 C.ar 1 UNL1 -0.2250 31 C 6.0696 2.5555 0.7165 C.ar 1 UNL1 0.6012 32 H -2.2127 1.4137 1.3846 H 1 UNL1 0.3478 33 H -2.3847 -1.8119 -0.8916 H 1 UNL1 0.3221 34 O 3.2442 -0.4315 -1.8027 O.3 1 UNL1 -0.4398 35 O -3.9277 1.4228 0.7774 O.3 1 UNL1 -0.5243 36 C 5.8794 1.3186 -1.3845 C.ar 1 UNL1 0.1037 37 P -2.2224 -0.5824 2.1609 P.3 1 UNL1 0.3663 38 P -0.6116 -2.2643 0.2520 P.3 1 UNL1 0.3569 39 N 5.1841 0.2921 -0.7509 N.ar 1 UNL1 -0.4912 40 N 5.2922 1.5201 1.2985 N.ar 1 UNL1 -0.6309 41 H 5.0644 -0.7379 -2.6009 H 1 UNL1 0.1394 42 H 1.7947 -1.7927 -2.1105 H 1 UNL1 0.1664 43 H 3.0482 -2.5556 0.5472 H 1 UNL1 0.1580 44 H -5.2396 0.0305 1.5896 H 1 UNL1 0.1134 45 H 5.0300 -2.9267 -1.6464 H 1 UNL1 0.1787 46 H 5.3229 -2.2043 -0.0619 H 1 UNL1 0.1793 47 H 1.7559 -0.6428 0.7757 H 1 UNL1 0.1620 48 H 1.3409 0.4532 -0.5869 H 1 UNL1 0.1535 49 H -6.9001 0.6866 -0.6329 H 1 UNL1 0.1322 50 H -4.5001 2.3347 -1.7313 H 1 UNL1 0.1467 51 H 6.0568 1.1858 -2.4594 H 1 UNL1 0.1731 52 H -5.7349 2.3693 1.1518 H 1 UNL1 0.1291 53 H -4.0539 -0.3612 -1.2893 H 1 UNL1 0.1811 54 H -5.3690 -1.3060 -0.5946 H 1 UNL1 0.1637 55 H -3.1552 3.7136 0.0681 H 1 UNL1 0.1604 56 H -4.7065 4.5690 0.1757 H 1 UNL1 0.1712 57 H -3.9101 3.9680 1.6483 H 1 UNL1 0.1587 58 H 6.5957 4.4523 -1.2788 H 1 UNL1 0.1691 59 H 8.0929 3.6240 -0.8517 H 1 UNL1 0.1700 60 H 7.3216 3.3005 -2.4162 H 1 UNL1 0.1476 61 H -7.0003 -1.2667 -2.4748 H 1 UNL1 0.1251 62 H -8.0681 0.1740 -2.6694 H 1 UNL1 0.1230 63 H -6.9844 -0.3361 -4.0131 H 1 UNL1 0.1493 @BOND 1 63 11 1 2 11 62 1 3 11 28 1 4 11 61 1 5 41 1 1 6 28 5 1 7 51 36 1 8 60 10 1 9 13 24 1 10 42 2 1 11 34 1 1 12 34 2 1 13 50 6 1 14 45 19 1 15 1 19 1 16 1 39 1 17 36 39 ar 18 36 30 ar 19 10 58 1 20 10 59 1 21 10 30 1 22 53 20 1 23 24 6 1 24 2 3 1 25 2 8 1 26 23 12 1 27 23 3 1 28 5 6 1 29 5 49 1 30 5 20 1 31 6 7 1 32 19 3 1 33 19 46 1 34 33 22 1 35 22 38 1 36 39 29 ar 37 30 31 ar 38 20 54 1 39 20 4 1 40 48 8 1 41 3 43 1 42 27 8 1 43 27 38 1 44 8 47 1 45 55 9 1 46 56 9 1 47 38 16 2 48 38 25 1 49 7 9 1 50 7 35 1 51 7 52 1 52 9 57 1 53 29 17 2 54 29 40 ar 55 31 40 ar 56 31 18 2 57 35 4 1 58 4 26 1 59 4 44 1 60 26 37 1 61 40 14 1 62 32 21 1 63 25 37 1 64 21 37 1 65 37 15 2