@MOLECULE [(2r,3s,5s)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate 69 72 0 0 0 SMALL GASTEIGER @ATOM 1 P 0.2493 -3.0468 1.7453 P.3 1 UNL111111111 0.3436 2 P 5.2861 -1.3565 -1.6137 P.3 1 UNL111111111 0.3624 3 O 1.4826 0.5355 -0.1908 O.3 1 UNL111111111 -0.4202 4 O -4.1839 -1.7437 0.0200 O.3 1 UNL111111111 -0.4544 5 O -1.1269 -3.0627 0.9158 O.3 1 UNL111111111 -0.2898 6 O 4.5122 -0.0250 -1.1753 O.3 1 UNL111111111 -0.2863 7 O 0.7416 -1.6135 1.2432 O.3 1 UNL111111111 -0.2205 8 O -5.1751 -4.4127 0.0756 O.3 1 UNL111111111 -0.5339 9 O 1.0778 -4.0470 0.8232 O.3 1 UNL111111111 -0.2981 10 O 0.1854 -3.3151 3.1672 O.2 1 UNL111111111 -0.3048 11 O 6.3909 -0.7106 -2.5670 O.3 1 UNL111111111 -0.3446 12 O 6.1418 -1.7457 -0.3248 O.3 1 UNL111111111 -0.3369 13 O 2.3472 4.4852 -0.1281 O.2 1 UNL111111111 -0.5317 14 O -3.2492 2.1526 0.3773 O.2 1 UNL111111111 -0.5260 15 O 4.4448 -2.3935 -2.1753 O.2 1 UNL111111111 -0.2877 16 O -0.9670 5.1992 2.8796 O.2 1 UNL111111111 -0.4717 17 O -3.5293 2.6833 -4.1105 O.2 1 UNL111111111 -0.4712 18 N 1.3643 2.6423 0.7918 N.ar 1 UNL111111111 -0.5092 19 N -3.4432 0.2681 -0.8966 N.ar 1 UNL111111111 -0.5000 20 N 0.6787 4.8534 1.3913 N.ar 1 UNL111111111 -0.6246 21 N -3.3367 2.4333 -1.8925 N.ar 1 UNL111111111 -0.6180 22 C 3.8398 0.1161 0.0823 C.3 1 UNL111111111 0.1136 23 C 2.4220 -0.5106 0.0557 C.3 1 UNL111111111 0.0519 24 C -2.2691 -2.3124 1.3364 C.3 1 UNL111111111 0.1110 25 C 3.5833 1.6377 0.1256 C.3 1 UNL111111111 -0.3747 26 C 2.0912 1.8012 -0.2035 C.3 1 UNL111111111 0.3325 27 C -2.1941 -0.8205 0.9730 C.3 1 UNL111111111 -0.3914 28 C -3.3608 -2.8579 0.3756 C.3 1 UNL111111111 0.0326 29 C -3.5626 -0.5190 0.3532 C.3 1 UNL111111111 0.3346 30 C 2.1001 -1.1542 1.4153 C.3 1 UNL111111111 -0.0763 31 C -4.2941 -3.8738 1.0365 C.3 1 UNL111111111 -0.0306 32 C 0.3805 2.1172 1.6195 C.ar 1 UNL111111111 0.1138 33 C 1.5092 4.0384 0.6303 C.ar 1 UNL111111111 0.6951 34 C -3.5434 -0.3203 -2.1454 C.ar 1 UNL111111111 0.1308 35 C -3.3380 1.6680 -0.7322 C.ar 1 UNL111111111 0.7013 36 C -0.4281 2.9163 2.3610 C.ar 1 UNL111111111 -0.2290 37 C -3.5699 0.4362 -3.2719 C.ar 1 UNL111111111 -0.2478 38 C -0.3244 4.3685 2.2826 C.ar 1 UNL111111111 0.6081 39 C -3.4871 1.8908 -3.2005 C.ar 1 UNL111111111 0.6062 40 C -1.4845 2.3766 3.2525 C.3 1 UNL111111111 -0.4102 41 C -3.7090 -0.1490 -4.6273 C.3 1 UNL111111111 -0.4006 42 H 4.4528 -0.2256 0.9442 H 1 UNL111111111 0.1429 43 H 2.2288 -1.2095 -0.7934 H 1 UNL111111111 0.1925 44 H -2.5245 -2.4762 2.4098 H 1 UNL111111111 0.1451 45 H 4.2190 2.1695 -0.6185 H 1 UNL111111111 0.1963 46 H 3.8584 2.0786 1.0990 H 1 UNL111111111 0.1744 47 H 1.9038 2.2244 -1.2255 H 1 UNL111111111 0.1638 48 H -1.3676 -0.6241 0.2503 H 1 UNL111111111 0.2031 49 H -1.9833 -0.1679 1.8379 H 1 UNL111111111 0.1794 50 H -2.9245 -3.2502 -0.5710 H 1 UNL111111111 0.1636 51 H -4.2794 0.0080 1.0343 H 1 UNL111111111 0.1661 52 H 2.0594 -0.3954 2.2272 H 1 UNL111111111 0.1391 53 H 2.8676 -1.9120 1.6733 H 1 UNL111111111 0.1499 54 H -3.7386 -4.7593 1.3981 H 1 UNL111111111 0.1553 55 H -4.8790 -3.4304 1.8586 H 1 UNL111111111 0.1298 56 H 0.3111 1.0177 1.6504 H 1 UNL111111111 0.1973 57 H -3.6067 -1.4176 -2.1619 H 1 UNL111111111 0.1866 58 H -5.6848 -3.6884 -0.3500 H 1 UNL111111111 0.3230 59 H 0.7867 5.8644 1.2820 H 1 UNL111111111 0.3454 60 H -3.2452 3.4479 -1.7864 H 1 UNL111111111 0.3497 61 H 0.6588 -4.9882 0.9241 H 1 UNL111111111 0.3169 62 H -1.6175 3.0026 4.1473 H 1 UNL111111111 0.1686 63 H -1.2792 1.3534 3.5902 H 1 UNL111111111 0.1443 64 H -2.4640 2.3733 2.7333 H 1 UNL111111111 0.1827 65 H -2.8673 0.1396 -5.2789 H 1 UNL111111111 0.1667 66 H -3.7632 -1.2448 -4.6195 H 1 UNL111111111 0.1475 67 H -4.6218 0.2224 -5.1253 H 1 UNL111111111 0.1680 68 H 5.9196 -0.3528 -3.4151 H 1 UNL111111111 0.3283 69 H 6.9957 -2.2319 -0.6503 H 1 UNL111111111 0.3265 @BOND 1 1 5 1 2 1 7 1 3 1 9 1 4 1 10 2 5 2 6 1 6 2 11 1 7 2 12 1 8 2 15 2 9 3 23 1 10 3 26 1 11 4 28 1 12 4 29 1 13 5 24 1 14 6 22 1 15 7 30 1 16 8 31 1 17 8 58 1 18 9 61 1 19 11 68 1 20 12 69 1 21 13 33 2 22 14 35 2 23 16 38 2 24 17 39 2 25 18 26 1 26 18 32 ar 27 18 33 ar 28 19 29 1 29 19 34 ar 30 19 35 ar 31 20 33 ar 32 20 38 ar 33 20 59 1 34 21 35 ar 35 21 39 ar 36 21 60 1 37 22 23 1 38 22 25 1 39 22 42 1 40 23 30 1 41 23 43 1 42 24 27 1 43 24 28 1 44 24 44 1 45 25 26 1 46 25 45 1 47 25 46 1 48 26 47 1 49 27 29 1 50 27 48 1 51 27 49 1 52 28 31 1 53 28 50 1 54 29 51 1 55 30 52 1 56 30 53 1 57 31 54 1 58 31 55 1 59 32 36 ar 60 32 56 1 61 34 37 ar 62 34 57 1 63 36 38 ar 64 36 40 1 65 37 39 ar 66 37 41 1 67 40 62 1 68 40 63 1 69 40 64 1 70 41 65 1 71 41 66 1 72 41 67 1