@MOLECULE [(2s,3r,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4r,5r,6s)-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 P -3.6472 -0.7412 0.9832 P.3 1 UNL1 0.3733 2 P -3.2066 1.3506 -1.2399 P.3 1 UNL1 0.3532 3 O 0.9927 1.8499 -0.3392 O.3 1 UNL1 -0.4432 4 O -0.8158 -1.0892 -0.5257 O.3 1 UNL1 -0.4367 5 O 1.5006 4.6594 0.9113 O.3 1 UNL1 -0.5141 6 O 0.8516 1.9775 3.0712 O.3 1 UNL1 -0.5001 7 O -2.1604 -1.2518 1.2786 O.3 1 UNL1 -0.2611 8 O -1.6853 1.7909 -0.9829 O.3 1 UNL1 -0.2903 9 O 2.0193 -3.4413 1.0727 O.3 1 UNL1 -0.5603 10 O 1.6793 -3.2486 -1.8847 O.3 1 UNL1 -0.5520 11 O -0.7429 -3.5519 2.1636 O.3 1 UNL1 -0.5052 12 O -3.6616 0.4857 0.0056 O.3 1 UNL1 -0.2590 13 O -0.6615 -0.4320 -3.4004 O.3 1 UNL1 -0.5571 14 O 2.8219 -0.9360 1.6651 O.2 1 UNL1 -0.5516 15 O -4.3467 -1.9401 0.2044 O.3 1 UNL1 -0.3722 16 O -3.0434 0.4294 -2.5018 O.3 1 UNL1 -0.3084 17 O -4.2348 -0.3642 2.2514 O.2 1 UNL1 -0.1498 18 O -4.2061 2.3928 -1.3646 O.2 1 UNL1 -0.1790 19 O 6.2550 -0.5929 -1.2803 O.2 1 UNL1 -0.4408 20 N 2.9536 0.9785 0.4332 N.ar 1 UNL1 -0.4723 21 N 4.6207 -0.7334 0.2647 N.ar 1 UNL1 -0.6157 22 C 0.6870 3.5734 1.2488 C.3 1 UNL1 0.0392 23 C 1.5009 2.4361 1.9253 C.3 1 UNL1 0.0306 24 C 0.0909 2.9034 -0.0050 C.3 1 UNL1 0.0262 25 C 1.5817 1.3222 0.8390 C.3 1 UNL1 0.2310 26 C 0.8234 -3.2365 0.3696 C.3 1 UNL1 0.0598 27 C 1.1661 -2.3944 -0.8832 C.3 1 UNL1 0.0292 28 C -0.2515 -2.5889 1.2697 C.3 1 UNL1 0.0290 29 C -0.0539 -1.7165 -1.5376 C.3 1 UNL1 0.0737 30 C -1.3947 -2.0178 0.3833 C.3 1 UNL1 0.2700 31 C -1.2905 2.2973 0.3030 C.3 1 UNL1 -0.0336 32 C 0.3843 -0.5584 -2.4417 C.3 1 UNL1 -0.0340 33 C 3.4397 -0.2894 0.8373 C.ar 1 UNL1 0.7121 34 C 3.5739 1.6857 -0.5902 C.ar 1 UNL1 0.1689 35 C 4.7001 1.2207 -1.1779 C.ar 1 UNL1 -0.4187 36 C 5.2928 -0.0504 -0.8015 C.ar 1 UNL1 0.6164 37 H -0.0595 4.0277 1.9366 H 1 UNL1 0.1823 38 H 2.4869 2.7784 2.3044 H 1 UNL1 0.1822 39 H 0.0830 3.5422 -0.9121 H 1 UNL1 0.1725 40 H 1.0153 0.3932 1.1276 H 1 UNL1 0.1922 41 H 0.5299 -4.2758 0.0870 H 1 UNL1 0.1648 42 H 1.9496 -1.6470 -0.6358 H 1 UNL1 0.1191 43 H 0.1874 -1.8178 1.9437 H 1 UNL1 0.1731 44 H -0.6756 -2.4480 -2.1042 H 1 UNL1 0.1618 45 H -1.9388 -2.8133 -0.1737 H 1 UNL1 0.1219 46 H -1.9712 3.0694 0.7186 H 1 UNL1 0.1431 47 H -1.1876 1.4599 1.0268 H 1 UNL1 0.1486 48 H 1.3214 -0.7911 -2.9787 H 1 UNL1 0.1371 49 H 0.4706 0.3906 -1.8746 H 1 UNL1 0.1595 50 H 2.2126 4.3975 0.2916 H 1 UNL1 0.3097 51 H 0.0296 1.4773 2.8536 H 1 UNL1 0.3249 52 H 3.0983 2.6328 -0.8808 H 1 UNL1 0.1773 53 H 2.3622 -2.6051 1.4530 H 1 UNL1 0.3437 54 H 2.4090 -3.7936 -1.5091 H 1 UNL1 0.3365 55 H -1.5138 -4.0324 1.7965 H 1 UNL1 0.3095 56 H 4.9963 -1.6331 0.5838 H 1 UNL1 0.3526 57 H 5.2211 1.7720 -1.9593 H 1 UNL1 0.2070 58 H -0.5116 0.3566 -3.9636 H 1 UNL1 0.3260 59 H -4.5776 -1.6400 -0.7489 H 1 UNL1 0.3363 60 H -2.0750 0.0274 -2.5449 H 1 UNL1 0.3605 @BOND 1 58 13 1 2 13 32 1 3 48 32 1 4 60 16 1 5 16 2 1 6 32 49 1 7 32 29 1 8 44 29 1 9 57 35 1 10 10 54 1 11 10 27 1 12 29 27 1 13 29 4 1 14 18 2 2 15 19 36 2 16 2 8 1 17 2 12 1 18 35 36 ar 19 35 34 ar 20 8 31 1 21 39 24 1 22 27 42 1 23 27 26 1 24 52 34 1 25 36 21 ar 26 59 15 1 27 34 20 ar 28 4 30 1 29 3 24 1 30 3 25 1 31 45 30 1 32 24 31 1 33 24 22 1 34 12 1 1 35 41 26 1 36 15 1 1 37 21 56 1 38 21 33 ar 39 50 5 1 40 31 46 1 41 31 47 1 42 26 9 1 43 26 28 1 44 30 28 1 45 30 7 1 46 20 33 ar 47 20 25 1 48 33 14 2 49 25 40 1 50 25 23 1 51 5 22 1 52 1 7 1 53 1 17 2 54 9 53 1 55 22 23 1 56 22 37 1 57 28 43 1 58 28 11 1 59 55 11 1 60 23 38 1 61 23 6 1 62 51 6 1