@MOLECULE (2r,3r,4s,5r,6r)-3,5-dihydroxy-6-methyl-4-(methylamino)tetrahydro-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 diphosp hate (non-preferred name) 65 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.7058 0.9177 -0.6569 O.3 1 UNL1 -0.3880 2 P 4.1975 0.9128 0.8399 P.3 1 UNL1 0.3725 3 O 5.1666 1.1622 1.8815 O.2 1 UNL1 -0.1756 4 O 3.2163 -0.3502 0.8910 O.3 1 UNL1 -0.3752 5 C 3.5901 -1.7086 0.9183 C.3 1 UNL1 0.3267 6 O 2.6567 -2.3557 1.7533 O.3 1 UNL1 -0.4450 7 C 1.2918 -2.0570 1.4528 C.3 1 UNL1 0.0907 8 C 0.4922 -2.7357 2.5539 C.3 1 UNL1 -0.4683 9 C 0.9708 -2.6291 0.0573 C.3 1 UNL1 0.0415 10 O 1.0919 -4.0347 0.0310 O.3 1 UNL1 -0.5637 11 C 1.9496 -2.0427 -0.9924 C.3 1 UNL1 -0.0638 12 N 1.8434 -2.6744 -2.3231 N.3 1 UNL1 -0.5398 13 C 0.7048 -2.1564 -3.1095 C.3 1 UNL1 -0.2804 14 C 3.3970 -2.2925 -0.5134 C.3 1 UNL1 0.0574 15 O 4.3184 -1.6443 -1.3738 O.3 1 UNL1 -0.5770 16 O 3.1144 2.0776 0.9734 O.3 1 UNL1 -0.0329 17 P 1.6937 2.5188 0.3987 P.3 1 UNL1 0.3584 18 O 1.8110 2.8441 -1.1620 O.3 1 UNL1 -0.4164 19 O 1.2238 3.6575 1.1591 O.2 1 UNL1 -0.1919 20 O 0.9165 1.1172 0.4297 O.3 1 UNL1 -0.2933 21 C -0.5153 1.0184 0.4178 C.3 1 UNL1 -0.0512 22 C -0.9454 0.7101 -1.0230 C.3 1 UNL1 0.0370 23 O -1.9198 -0.3375 -0.9688 O.3 1 UNL1 -0.4394 24 C -3.1108 0.0217 -1.6237 C.3 1 UNL1 0.3328 25 C -2.9206 1.3852 -2.3009 C.3 1 UNL1 -0.3737 26 C -1.5743 1.9061 -1.7712 C.3 1 UNL1 0.1493 27 O -0.7974 2.2151 -2.9106 O.3 1 UNL1 -0.5834 28 N -4.1878 0.0405 -0.6035 N.ar 1 UNL1 -0.4956 29 C -4.1148 0.9682 0.4556 C.ar 1 UNL1 0.7170 30 O -3.2759 1.8435 0.4946 O.2 1 UNL1 -0.5281 31 N -5.0858 0.8613 1.4546 N.ar 1 UNL1 -0.6309 32 C -6.1217 -0.1097 1.4682 C.ar 1 UNL1 0.5989 33 O -6.8918 -0.0867 2.3979 O.2 1 UNL1 -0.4646 34 C -6.1238 -1.0288 0.3318 C.ar 1 UNL1 -0.2207 35 C -7.2199 -2.0261 0.3000 C.3 1 UNL1 -0.4055 36 C -5.1657 -0.9494 -0.6231 C.ar 1 UNL1 0.0986 37 H 4.5741 -0.0404 -1.0501 H 1 UNL1 0.3597 38 H 4.5644 -1.9644 1.3873 H 1 UNL1 0.1477 39 H 1.1461 -0.9495 1.4794 H 1 UNL1 0.1781 40 H 0.9140 -2.4917 3.5401 H 1 UNL1 0.1688 41 H -0.5545 -2.4067 2.5430 H 1 UNL1 0.1547 42 H 0.4963 -3.8288 2.4606 H 1 UNL1 0.1580 43 H -0.0891 -2.4548 -0.2284 H 1 UNL1 0.1543 44 H 1.8109 -4.3223 0.6354 H 1 UNL1 0.3297 45 H 1.7697 -0.9384 -1.0843 H 1 UNL1 0.1816 46 H 1.7568 -3.6911 -2.2126 H 1 UNL1 0.2713 47 H 0.7288 -2.6272 -4.1070 H 1 UNL1 0.1471 48 H -0.2806 -2.3529 -2.6588 H 1 UNL1 0.1282 49 H 0.8105 -1.0688 -3.2559 H 1 UNL1 0.1492 50 H 3.6623 -3.3719 -0.5281 H 1 UNL1 0.1358 51 H 3.9981 -1.7508 -2.3070 H 1 UNL1 0.3584 52 H 2.5102 2.2427 -1.5952 H 1 UNL1 0.3303 53 H -0.6829 0.1347 1.0756 H 1 UNL1 0.1459 54 H -1.0715 1.8684 0.8637 H 1 UNL1 0.1673 55 H -0.1101 0.2629 -1.6129 H 1 UNL1 0.1536 56 H -3.3131 -0.8152 -2.3378 H 1 UNL1 0.1386 57 H -2.8834 1.2917 -3.4042 H 1 UNL1 0.1791 58 H -3.7393 2.0925 -2.0841 H 1 UNL1 0.1763 59 H -1.6809 2.8208 -1.1498 H 1 UNL1 0.1548 60 H 0.0715 2.5807 -2.6270 H 1 UNL1 0.3435 61 H -5.0432 1.5376 2.2229 H 1 UNL1 0.3475 62 H -7.2214 -2.6502 1.2111 H 1 UNL1 0.1720 63 H -8.2054 -1.5288 0.2726 H 1 UNL1 0.1702 64 H -7.1694 -2.7019 -0.5620 H 1 UNL1 0.1485 65 H -5.1278 -1.6472 -1.4700 H 1 UNL1 0.1735 @BOND 1 47 13 1 2 57 25 1 3 49 13 1 4 13 48 1 5 13 12 1 6 27 60 1 7 27 26 1 8 56 24 1 9 12 46 1 10 12 11 1 11 51 15 1 12 25 58 1 13 25 26 1 14 25 24 1 15 26 59 1 16 26 22 1 17 24 23 1 18 24 28 1 19 55 22 1 20 52 18 1 21 65 36 1 22 15 14 1 23 18 17 1 24 45 11 1 25 37 1 1 26 22 23 1 27 22 21 1 28 11 14 1 29 11 9 1 30 1 2 1 31 36 28 ar 32 36 34 ar 33 28 29 ar 34 64 35 1 35 50 14 1 36 14 5 1 37 43 9 1 38 10 9 1 39 10 44 1 40 9 7 1 41 63 35 1 42 35 34 1 43 35 62 1 44 34 32 ar 45 17 20 1 46 17 16 1 47 17 19 2 48 21 20 1 49 21 54 1 50 21 53 1 51 29 30 2 52 29 31 ar 53 2 4 1 54 2 16 1 55 2 3 2 56 4 5 1 57 5 38 1 58 5 6 1 59 7 39 1 60 7 6 1 61 7 8 1 62 31 32 ar 63 31 61 1 64 32 33 2 65 42 8 1 66 41 8 1 67 8 40 1