@MOLECULE [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate 65 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0749 0.2922 0.6522 O.3 1 UNL1 -0.4452 2 O 1.2619 2.0737 -0.0267 O.3 1 UNL1 -0.4661 3 O 2.2124 -0.3132 -0.2221 O.3 1 UNL1 -0.4283 4 O -3.1857 0.6626 -0.8514 O.3 1 UNL1 -0.4396 5 O 2.9820 2.1040 -1.4786 O.2 1 UNL1 -0.4804 6 O 1.3714 -2.7987 1.3576 O.2 1 UNL1 -0.4942 7 O 2.6627 -1.7879 -1.8630 O.2 1 UNL1 -0.4854 8 O -4.2834 2.5819 -1.2809 O.2 1 UNL1 -0.4728 9 N -0.5618 -1.9712 0.4794 N.ar 1 UNL1 -0.5092 10 N -1.3022 2.5669 0.3519 N.2 1 UNL1 -0.4717 11 N -0.7224 2.9311 1.3924 N.2 1 UNL1 0.4868 12 N -0.2441 -4.3477 0.8181 N.ar 1 UNL1 -0.6262 13 N -1.9037 -5.8355 0.2556 N.pl3 1 UNL1 -0.5902 14 N -0.3434 3.4317 2.3360 N.2 1 UNL1 -0.2029 15 C 0.5065 1.2425 -0.8781 C.3 1 UNL1 0.0251 16 C 0.8731 -0.2362 -0.6314 C.3 1 UNL1 0.0142 17 C -0.9536 1.3336 -0.3189 C.3 1 UNL1 0.3619 18 C 0.0037 -0.6229 0.6018 C.3 1 UNL1 0.2669 19 C -1.9989 1.1367 -1.4459 C.3 1 UNL1 -0.0490 20 C -1.8280 -2.1783 0.0167 C.ar 1 UNL1 0.2081 21 C 2.5487 2.3800 -0.3973 C.2 1 UNL1 0.6244 22 C 0.2806 -3.0907 0.9298 C.ar 1 UNL1 0.7244 23 C 3.0292 -1.2053 -0.8827 C.2 1 UNL1 0.6214 24 C 3.1989 3.0990 0.7599 C.3 1 UNL1 -0.1349 25 C 4.3497 -1.2509 -0.1579 C.3 1 UNL1 -0.1220 26 C -2.3304 -3.4534 -0.0831 C.ar 1 UNL1 -0.4975 27 C -4.2411 1.5269 -0.7159 C.2 1 UNL1 0.6046 28 C -1.4841 -4.5359 0.3309 C.ar 1 UNL1 0.5123 29 C -5.2667 0.8683 0.1771 C.3 1 UNL1 -0.1332 30 C 3.9672 2.0608 1.5785 C.3 1 UNL1 -0.4389 31 C 4.1196 4.1829 0.2055 C.3 1 UNL1 -0.4449 32 C 4.6272 -2.7102 0.1992 C.3 1 UNL1 -0.4442 33 C 5.4108 -0.6594 -1.0844 C.3 1 UNL1 -0.4526 34 C -6.0646 1.9593 0.8875 C.3 1 UNL1 -0.4403 35 C -6.1598 -0.0142 -0.6957 C.3 1 UNL1 -0.4425 36 H 0.6167 1.5683 -1.9300 H 1 UNL1 0.1740 37 H 0.6730 -0.8757 -1.5218 H 1 UNL1 0.1828 38 H 0.5615 -0.5308 1.5715 H 1 UNL1 0.1906 39 H -2.1616 2.0801 -2.0098 H 1 UNL1 0.1807 40 H -1.6979 0.3269 -2.1368 H 1 UNL1 0.1539 41 H -2.4319 -1.2978 -0.2649 H 1 UNL1 0.2005 42 H 2.4132 3.5698 1.4089 H 1 UNL1 0.1743 43 H 4.2924 -0.6472 0.7854 H 1 UNL1 0.1663 44 H -3.3268 -3.6376 -0.4534 H 1 UNL1 0.1823 45 H -4.7427 0.2320 0.9386 H 1 UNL1 0.1727 46 H 4.4101 2.5155 2.4732 H 1 UNL1 0.1565 47 H 3.3080 1.2475 1.9167 H 1 UNL1 0.1657 48 H 4.7853 1.6113 1.0008 H 1 UNL1 0.1556 49 H 3.5594 4.9567 -0.3336 H 1 UNL1 0.1523 50 H 4.6747 4.6794 1.0106 H 1 UNL1 0.1553 51 H 4.8561 3.7684 -0.4975 H 1 UNL1 0.1642 52 H 4.6678 -3.3483 -0.6933 H 1 UNL1 0.1607 53 H 3.8334 -3.1191 0.8487 H 1 UNL1 0.1808 54 H 5.5774 -2.8157 0.7320 H 1 UNL1 0.1483 55 H 5.5037 -1.2381 -2.0139 H 1 UNL1 0.1639 56 H 6.3950 -0.6490 -0.6039 H 1 UNL1 0.1519 57 H 5.1661 0.3735 -1.3710 H 1 UNL1 0.1594 58 H -6.5502 2.6368 0.1711 H 1 UNL1 0.1631 59 H -5.4199 2.5800 1.5240 H 1 UNL1 0.1574 60 H -6.8469 1.5304 1.5237 H 1 UNL1 0.1517 61 H -5.5807 -0.7938 -1.2068 H 1 UNL1 0.1531 62 H -6.9255 -0.5165 -0.0919 H 1 UNL1 0.1550 63 H -6.6830 0.5700 -1.4636 H 1 UNL1 0.1557 64 H -1.2946 -6.5766 0.5494 H 1 UNL1 0.3245 65 H -2.8053 -6.0711 -0.0896 H 1 UNL1 0.3088 @BOND 1 40 19 1 2 55 33 1 3 39 19 1 4 36 15 1 5 7 23 2 6 37 16 1 7 5 21 2 8 63 35 1 9 19 4 1 10 19 17 1 11 57 33 1 12 8 27 2 13 61 35 1 14 33 56 1 15 33 25 1 16 23 3 1 17 23 25 1 18 15 16 1 19 15 17 1 20 15 2 1 21 4 27 1 22 27 29 1 23 35 62 1 24 35 29 1 25 52 32 1 26 16 3 1 27 16 18 1 28 51 31 1 29 44 26 1 30 21 2 1 31 21 24 1 32 49 31 1 33 17 10 1 34 17 1 1 35 41 20 1 36 25 32 1 37 25 43 1 38 65 13 1 39 26 20 ar 40 26 28 ar 41 20 9 ar 42 58 34 1 43 29 34 1 44 29 45 1 45 32 54 1 46 32 53 1 47 31 24 1 48 31 50 1 49 13 28 1 50 13 64 1 51 28 12 ar 52 10 11 2 53 9 18 1 54 9 22 ar 55 18 1 1 56 18 38 1 57 24 42 1 58 24 30 1 59 12 22 ar 60 34 60 1 61 34 59 1 62 22 6 2 63 48 30 1 64 11 14 2 65 30 47 1 66 30 46 1