@MOLECULE (2r,3r,4s,6s)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-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) 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.3547 -3.1400 0.4670 O.2 1 UNL1 -0.1977 2 P -2.5456 -2.0385 -0.0001 P.3 1 UNL1 0.3806 3 O -1.8215 -2.3242 -1.3820 O.3 1 UNL1 -0.3269 4 O -3.1866 -0.5928 -0.3197 O.3 1 UNL1 -0.3289 5 C -4.5542 -0.3030 -0.2660 C.3 1 UNL1 0.3170 6 C -4.8125 0.5849 -1.5196 C.3 1 UNL1 0.0476 7 O -4.0085 1.7298 -1.3901 O.3 1 UNL1 -0.5006 8 C -6.2963 0.9945 -1.4788 C.3 1 UNL1 -0.0316 9 O -6.4713 1.9050 -2.5394 O.3 1 UNL1 -0.5394 10 C -6.6233 1.6242 -0.1325 C.2 1 UNL1 0.3706 11 O -7.4003 2.5436 -0.0851 O.2 1 UNL1 -0.4347 12 C -5.9951 1.0204 1.1181 C.3 1 UNL1 0.0525 13 O -4.6999 0.4906 0.9099 O.3 1 UNL1 -0.4091 14 C -5.7792 2.1050 2.1678 C.3 1 UNL1 -0.4525 15 O -1.4133 -1.6347 1.0230 O.3 1 UNL1 -0.1614 16 P -0.4308 -0.4520 1.4703 P.3 1 UNL1 0.3686 17 O 0.3920 -1.0053 2.5259 O.2 1 UNL1 -0.1864 18 O -1.2961 0.8028 1.8631 O.3 1 UNL1 -0.2980 19 O 0.2289 -0.0309 0.0687 O.3 1 UNL1 -0.3157 20 C 1.6397 0.2360 -0.0371 C.3 1 UNL1 -0.0420 21 C 2.2277 -0.8895 -0.9061 C.3 1 UNL1 0.0335 22 O 3.3177 -0.3126 -1.6347 O.3 1 UNL1 -0.4385 23 C 2.7739 -2.1075 -0.1284 C.3 1 UNL1 0.1484 24 O 2.1283 -3.2849 -0.5696 O.3 1 UNL1 -0.5793 25 C 4.2374 -2.2515 -0.5819 C.3 1 UNL1 -0.3682 26 C 4.5302 -0.9783 -1.3817 C.3 1 UNL1 0.3243 27 N 5.4174 -0.0308 -0.6611 N.ar 1 UNL1 -0.4949 28 C 5.1319 0.3009 0.6792 C.ar 1 UNL1 0.7128 29 O 4.2917 -0.2820 1.3325 O.2 1 UNL1 -0.5231 30 N 5.8931 1.3208 1.2558 N.ar 1 UNL1 -0.6297 31 C 6.9000 2.0522 0.5753 C.ar 1 UNL1 0.6001 32 O 7.4716 2.9171 1.1950 O.2 1 UNL1 -0.4692 33 C 7.1201 1.6584 -0.8147 C.ar 1 UNL1 -0.2221 34 C 8.1857 2.4008 -1.5295 C.3 1 UNL1 -0.4062 35 C 6.3756 0.6784 -1.3820 C.ar 1 UNL1 0.1036 36 H -1.2543 -1.5035 -1.6340 H 1 UNL1 0.3257 37 H -5.2659 -1.1589 -0.2133 H 1 UNL1 0.1190 38 H -4.5514 0.0569 -2.4604 H 1 UNL1 0.1478 39 H -4.1818 2.3283 -2.1555 H 1 UNL1 0.3213 40 H -6.9775 0.1344 -1.6813 H 1 UNL1 0.1557 41 H -7.0445 2.6586 -2.2557 H 1 UNL1 0.3450 42 H -6.6480 0.1976 1.4974 H 1 UNL1 0.1410 43 H -4.9614 2.7783 1.8686 H 1 UNL1 0.1739 44 H -6.6799 2.7174 2.3048 H 1 UNL1 0.1682 45 H -5.4988 1.6735 3.1362 H 1 UNL1 0.1633 46 H -2.0858 0.9032 1.1929 H 1 UNL1 0.3510 47 H 1.6549 1.2021 -0.5907 H 1 UNL1 0.1459 48 H 2.2048 0.3717 0.9067 H 1 UNL1 0.1651 49 H 1.5098 -1.2075 -1.6968 H 1 UNL1 0.1551 50 H 2.6694 -2.0292 0.9757 H 1 UNL1 0.1664 51 H 1.1907 -3.2805 -0.2828 H 1 UNL1 0.3408 52 H 4.3495 -3.1563 -1.2123 H 1 UNL1 0.1786 53 H 4.9138 -2.3962 0.2779 H 1 UNL1 0.1815 54 H 4.9675 -1.1690 -2.3935 H 1 UNL1 0.1412 55 H 5.7002 1.5500 2.2356 H 1 UNL1 0.3476 56 H 7.9066 3.4599 -1.6690 H 1 UNL1 0.1692 57 H 9.1233 2.4119 -0.9461 H 1 UNL1 0.1722 58 H 8.4178 1.9863 -2.5178 H 1 UNL1 0.1483 59 H 6.5055 0.3793 -2.4299 H 1 UNL1 0.1730 @BOND 1 9 41 1 2 9 8 1 3 58 34 1 4 38 6 1 5 59 35 1 6 54 26 1 7 39 7 1 8 49 21 1 9 40 8 1 10 56 34 1 11 22 26 1 12 22 21 1 13 36 3 1 14 34 57 1 15 34 33 1 16 6 8 1 17 6 7 1 18 6 5 1 19 8 10 1 20 35 33 ar 21 35 27 ar 22 3 2 1 23 26 27 1 24 26 25 1 25 52 25 1 26 21 23 1 27 21 20 1 28 33 31 ar 29 27 28 ar 30 47 20 1 31 25 23 1 32 25 53 1 33 24 51 1 34 24 23 1 35 4 5 1 36 4 2 1 37 5 37 1 38 5 13 1 39 10 11 2 40 10 12 1 41 23 50 1 42 20 19 1 43 20 48 1 44 2 1 2 45 2 15 1 46 19 16 1 47 31 32 2 48 31 30 ar 49 28 30 ar 50 28 29 2 51 13 12 1 52 15 16 1 53 12 42 1 54 12 14 1 55 46 18 1 56 30 55 1 57 16 18 1 58 16 17 2 59 43 14 1 60 14 44 1 61 14 45 1