@MOLECULE methyl 4-[5-[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-azido-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxycarbonyl-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate 73 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 2.8349 0.0252 -1.9034 F 1 UNL1 -0.1843 2 O 2.3589 -2.1666 0.3087 O.3 1 UNL1 -0.4467 3 O -0.3097 -0.9914 -0.8599 O.3 1 UNL1 -0.4145 4 O 3.2816 -4.2190 -1.0392 O.3 1 UNL1 -0.5242 5 O -1.3594 -1.5247 -2.7807 O.2 1 UNL1 -0.4576 6 O 3.5206 1.4607 1.4264 O.2 1 UNL1 -0.5291 7 O -4.2351 1.8078 1.1724 O.3 1 UNL1 -0.2938 8 O -6.0037 0.2429 1.2316 O.3 1 UNL1 -0.3033 9 O -2.2884 2.5354 -2.2364 O.3 1 UNL1 -0.3166 10 O -0.5652 4.1508 -2.2350 O.3 1 UNL1 -0.3018 11 O -5.9273 -2.2807 -0.0523 O.3 1 UNL1 -0.2624 12 O 1.4160 4.3426 -0.2270 O.3 1 UNL1 -0.2689 13 O -1.8190 0.5413 2.6496 O.3 1 UNL1 -0.3618 14 O 0.1641 -0.4022 2.1738 O.2 1 UNL1 -0.5267 15 N 3.9851 -0.5229 0.4189 N.ar 1 UNL1 -0.4874 16 N 0.5078 -3.4657 -0.1502 N.2 1 UNL1 -0.5174 17 N -0.1809 -3.1436 0.8387 N.2 1 UNL1 0.4902 18 N 5.7488 0.9893 1.0889 N.ar 1 UNL1 -0.6354 19 N 7.9514 0.4401 0.7164 N.pl3 1 UNL1 -0.5885 20 N -0.8881 -3.1026 1.7219 N.2 1 UNL1 -0.1821 21 C 0.9452 -1.2988 -1.4312 C.3 1 UNL1 0.0045 22 C 1.4973 -2.5852 -0.7392 C.3 1 UNL1 0.3377 23 C 1.8963 -0.1794 -0.9562 C.3 1 UNL1 -0.0030 24 C 2.5438 -0.7629 0.3360 C.3 1 UNL1 0.2568 25 C 2.3085 -3.4727 -1.7216 C.3 1 UNL1 -0.0263 26 C 4.8916 -1.4277 -0.0515 C.ar 1 UNL1 0.2162 27 C -1.4236 -1.1397 -1.6469 C.2 1 UNL1 0.6147 28 C 4.4081 0.7376 1.0312 C.ar 1 UNL1 0.7336 29 C -2.6214 -0.7932 -0.8543 C.ar 1 UNL1 -0.0677 30 C -2.6932 0.4336 -0.1735 C.ar 1 UNL1 -0.0444 31 C 6.2377 -1.1584 0.0312 C.ar 1 UNL1 -0.4997 32 C -1.6102 1.4057 -0.1550 C.ar 1 UNL1 -0.0772 33 C -3.8898 0.6801 0.4820 C.ar 1 UNL1 0.1846 34 C -3.6575 -1.7256 -0.8488 C.ar 1 UNL1 -0.2490 35 C 6.6338 0.0903 0.6127 C.ar 1 UNL1 0.5136 36 C -4.9471 -0.2483 0.5070 C.ar 1 UNL1 0.0362 37 C -4.8487 -1.4684 -0.1507 C.ar 1 UNL1 0.2006 38 C -1.4839 2.3669 -1.1431 C.ar 1 UNL1 0.1762 39 C -0.6348 1.4477 0.8577 C.ar 1 UNL1 -0.0456 40 C -0.4562 3.3253 -1.1417 C.ar 1 UNL1 0.0162 41 C -5.5729 1.5550 1.6660 C.3 1 UNL1 0.1389 42 C 0.3984 2.3789 0.8749 C.ar 1 UNL1 -0.2552 43 C 0.4992 3.3591 -0.1312 C.ar 1 UNL1 0.2234 44 C -1.7232 3.6631 -2.9501 C.3 1 UNL1 0.1434 45 C -0.6773 0.4290 1.9354 C.2 1 UNL1 0.6163 46 C -5.8250 -3.5443 -0.7012 C.3 1 UNL1 -0.2135 47 C 2.4680 4.3347 0.7370 C.3 1 UNL1 -0.2116 48 C -1.9931 -0.4236 3.6868 C.3 1 UNL1 -0.1823 49 H 0.8762 -1.4009 -2.5365 H 1 UNL1 0.1871 50 H 1.3593 0.7858 -0.7507 H 1 UNL1 0.1952 51 H 2.0415 -0.3920 1.2786 H 1 UNL1 0.2223 52 H 2.8995 -2.8591 -2.4282 H 1 UNL1 0.1578 53 H 1.6421 -4.1584 -2.2814 H 1 UNL1 0.1499 54 H 4.5113 -2.3743 -0.4827 H 1 UNL1 0.2077 55 H 2.8805 -4.6674 -0.2586 H 1 UNL1 0.3340 56 H 6.9720 -1.8641 -0.3280 H 1 UNL1 0.1871 57 H -3.5407 -2.6563 -1.4042 H 1 UNL1 0.1845 58 H -5.5299 1.5485 2.7636 H 1 UNL1 0.1434 59 H -6.2414 2.2981 1.2103 H 1 UNL1 0.1440 60 H 1.1514 2.3409 1.6699 H 1 UNL1 0.2081 61 H 8.6744 -0.1576 0.3854 H 1 UNL1 0.3110 62 H 8.2071 1.3186 1.1257 H 1 UNL1 0.3224 63 H -1.3872 3.3007 -3.9314 H 1 UNL1 0.1433 64 H -2.4765 4.4623 -2.9588 H 1 UNL1 0.1418 65 H -6.7970 -3.9984 -0.4634 H 1 UNL1 0.1544 66 H -5.0117 -4.1407 -0.2755 H 1 UNL1 0.1412 67 H -5.7164 -3.4227 -1.7837 H 1 UNL1 0.1406 68 H 3.0496 5.2165 0.4416 H 1 UNL1 0.1472 69 H 3.0807 3.4267 0.6425 H 1 UNL1 0.1768 70 H 2.0786 4.4473 1.7517 H 1 UNL1 0.1376 71 H -2.0928 -1.4254 3.2516 H 1 UNL1 0.1528 72 H -2.9238 -0.1025 4.1648 H 1 UNL1 0.1406 73 H -1.1503 -0.3949 4.3852 H 1 UNL1 0.1441 @BOND 1 63 44 1 2 64 44 1 3 44 9 1 4 44 10 1 5 5 27 2 6 49 21 1 7 52 25 1 8 53 25 1 9 9 38 1 10 10 40 1 11 1 23 1 12 67 46 1 13 25 4 1 14 25 22 1 15 27 3 1 16 27 29 1 17 21 23 1 18 21 3 1 19 21 22 1 20 57 34 1 21 38 40 ar 22 38 32 ar 23 40 43 ar 24 4 55 1 25 23 50 1 26 23 24 1 27 29 34 ar 28 29 30 ar 29 34 37 ar 30 22 16 1 31 22 2 1 32 46 65 1 33 46 66 1 34 46 11 1 35 54 26 1 36 56 31 1 37 12 43 1 38 12 47 1 39 30 32 1 40 30 33 ar 41 32 39 ar 42 37 11 1 43 37 36 ar 44 16 17 2 45 43 42 ar 46 26 31 ar 47 26 15 ar 48 31 35 ar 49 2 24 1 50 24 15 1 51 24 51 1 52 61 19 1 53 15 28 ar 54 68 47 1 55 33 36 ar 56 33 7 1 57 36 8 1 58 35 19 1 59 35 18 ar 60 69 47 1 61 19 62 1 62 47 70 1 63 17 20 2 64 39 42 ar 65 39 45 1 66 42 60 1 67 28 18 ar 68 28 6 2 69 7 41 1 70 59 41 1 71 8 41 1 72 41 58 1 73 45 14 2 74 45 13 1 75 13 48 1 76 71 48 1 77 48 72 1 78 48 73 1