@MOLECULE 2-{[(2r,3r,4r,5s,6r)-3-acetamido-2-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}butanoic acid 78 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 6.6362 0.9571 -0.8474 N.ar 1 UNL1 -0.4826 2 C 6.1233 1.3780 0.4032 C.ar 1 UNL1 0.7218 3 N 6.4842 2.6522 0.8310 N.ar 1 UNL1 -0.6246 4 C 7.2967 3.5520 0.0758 C.ar 1 UNL1 0.6181 5 C 7.7392 3.0491 -1.2107 C.ar 1 UNL1 -0.4233 6 C 7.3944 1.8121 -1.6362 C.ar 1 UNL1 0.1691 7 O 5.4291 0.6450 1.0804 O.2 1 UNL1 -0.5446 8 O 7.5250 4.6301 0.5665 O.2 1 UNL1 -0.4631 9 C 6.1562 -0.3118 -1.4291 C.3 1 UNL1 0.2604 10 C 6.2844 -1.5100 -0.4499 C.3 1 UNL1 0.0664 11 O 7.1100 -2.4475 -1.0859 O.3 1 UNL1 -0.5503 12 C 4.8208 -1.9849 -0.2166 C.3 1 UNL1 0.0803 13 C 3.9430 -1.0456 -1.0640 C.3 1 UNL1 0.0320 14 O 4.7998 -0.1279 -1.7477 O.3 1 UNL1 -0.4338 15 O 4.7610 -3.3314 -0.6320 O.3 1 UNL1 -0.5697 16 C 2.9043 -0.2295 -0.2689 C.3 1 UNL1 -0.0374 17 O 1.5503 -0.6256 -0.5422 O.3 1 UNL1 -0.2544 18 P 0.9938 -2.0815 -0.1922 P.3 1 UNL1 0.3863 19 O 0.5932 -2.8459 -1.3561 O.2 1 UNL1 -0.1733 20 O 2.0939 -2.7799 0.7218 O.3 1 UNL1 -0.3875 21 O -0.3237 -1.9286 0.6610 O.3 1 UNL1 -0.1883 22 P -1.0096 -1.3093 1.9551 P.3 1 UNL1 0.3748 23 O -0.2751 -0.4261 2.8379 O.2 1 UNL1 -0.2581 24 O -1.5231 -2.6396 2.6579 O.3 1 UNL1 -0.3243 25 C -3.5114 -0.5523 1.7927 C.3 1 UNL1 0.3089 26 C -4.5307 -0.4233 0.6090 C.3 1 UNL1 0.0025 27 C -4.4500 0.9525 -0.0948 C.3 1 UNL1 0.0206 28 C -4.2069 2.1427 0.8560 C.3 1 UNL1 0.0659 29 C -3.0760 1.7767 1.8307 C.3 1 UNL1 0.0052 30 C -2.7487 2.8101 2.9111 C.3 1 UNL1 -0.0176 31 C -4.8935 -2.7124 -0.2428 C.2 1 UNL1 0.6168 32 C -4.8279 -3.5975 -1.4549 C.3 1 UNL1 -0.5318 33 N -4.3362 -1.4610 -0.3993 N.am 1 UNL1 -0.5848 34 O -2.2634 -0.7175 1.1443 O.3 1 UNL1 -0.2958 35 O -5.7581 1.0671 -0.6409 O.3 1 UNL1 -0.3813 36 O -3.8509 3.2477 0.0542 O.3 1 UNL1 -0.5647 37 O -3.5059 0.6301 2.5476 O.3 1 UNL1 -0.4266 38 O -1.3573 3.0509 2.9127 O.3 1 UNL1 -0.5629 39 O -5.3936 -3.0419 0.8171 O.2 1 UNL1 -0.5707 40 C -5.3023 1.1126 -2.9704 C.2 1 UNL1 0.6023 41 C -5.8834 1.8754 -1.7894 C.3 1 UNL1 0.0483 42 C -7.4003 2.0573 -1.9451 C.3 1 UNL1 -0.2605 43 C -7.9432 2.9649 -0.8446 C.3 1 UNL1 -0.4292 44 O -4.5997 0.1327 -2.9601 O.2 1 UNL1 -0.5452 45 O -5.6435 1.6906 -4.1461 O.3 1 UNL1 -0.5541 46 H 6.1378 2.9602 1.7445 H 1 UNL1 0.3466 47 H 8.3464 3.7287 -1.8063 H 1 UNL1 0.2065 48 H 7.7133 1.4126 -2.6099 H 1 UNL1 0.1748 49 H 6.6760 -0.4987 -2.4050 H 1 UNL1 0.1649 50 H 6.8083 -1.2528 0.4951 H 1 UNL1 0.1697 51 H 6.6273 -3.3040 -1.2199 H 1 UNL1 0.3527 52 H 4.5506 -2.0125 0.8629 H 1 UNL1 0.1704 53 H 3.4635 -1.5884 -1.9182 H 1 UNL1 0.1625 54 H 4.0312 -3.4968 -1.2705 H 1 UNL1 0.3446 55 H 2.8524 0.8162 -0.6649 H 1 UNL1 0.1630 56 H 3.1286 -0.1783 0.8149 H 1 UNL1 0.1548 57 H 2.0557 -2.3828 1.6675 H 1 UNL1 0.3351 58 H -1.9603 -3.2468 1.9454 H 1 UNL1 0.3265 59 H -3.8332 -1.3274 2.5319 H 1 UNL1 0.1658 60 H -5.5555 -0.5378 1.0719 H 1 UNL1 0.1847 61 H -3.6732 0.9506 -0.8949 H 1 UNL1 0.1561 62 H -5.1417 2.4680 1.3590 H 1 UNL1 0.1666 63 H -2.1389 1.5657 1.2522 H 1 UNL1 0.1692 64 H -3.1856 3.8012 2.7001 H 1 UNL1 0.1501 65 H -3.0614 2.4648 3.9166 H 1 UNL1 0.1443 66 H -5.1048 -4.6285 -1.1886 H 1 UNL1 0.1817 67 H -5.5315 -3.2577 -2.2298 H 1 UNL1 0.1758 68 H -3.8250 -3.6213 -1.9045 H 1 UNL1 0.1807 69 H -3.9468 -1.1604 -1.2854 H 1 UNL1 0.3376 70 H -2.8810 3.2998 -0.0770 H 1 UNL1 0.3275 71 H -0.8616 2.2034 3.0109 H 1 UNL1 0.3386 72 H -5.3477 2.8491 -1.6599 H 1 UNL1 0.1835 73 H -7.8975 1.0662 -1.9009 H 1 UNL1 0.1580 74 H -7.6292 2.4796 -2.9430 H 1 UNL1 0.1607 75 H -9.0218 3.1224 -0.9501 H 1 UNL1 0.1445 76 H -7.7628 2.5360 0.1504 H 1 UNL1 0.1578 77 H -7.4642 3.9504 -0.8635 H 1 UNL1 0.1471 78 H -5.2892 1.2121 -4.9395 H 1 UNL1 0.3587 @BOND 1 78 45 1 2 45 40 1 3 40 44 2 4 40 41 1 5 74 42 1 6 48 6 1 7 49 9 1 8 67 32 1 9 42 73 1 10 42 41 1 11 42 43 1 12 53 13 1 13 68 32 1 14 47 5 1 15 41 72 1 16 41 35 1 17 14 9 1 18 14 13 1 19 6 5 ar 20 6 1 ar 21 32 66 1 22 32 31 1 23 9 1 1 24 9 10 1 25 19 18 2 26 69 33 1 27 54 15 1 28 51 11 1 29 5 4 ar 30 11 10 1 31 13 16 1 32 13 12 1 33 75 43 1 34 61 27 1 35 77 43 1 36 1 2 ar 37 43 76 1 38 55 16 1 39 35 27 1 40 15 12 1 41 17 16 1 42 17 18 1 43 10 12 1 44 10 50 1 45 33 31 am 46 33 26 1 47 16 56 1 48 31 39 2 49 12 52 1 50 18 21 1 51 18 20 1 52 27 26 1 53 27 28 1 54 70 36 1 55 36 28 1 56 4 8 2 57 4 3 ar 58 2 3 ar 59 2 7 2 60 26 60 1 61 26 25 1 62 21 22 1 63 20 57 1 64 3 46 1 65 28 62 1 66 28 29 1 67 34 25 1 68 34 22 1 69 63 29 1 70 25 59 1 71 25 37 1 72 29 37 1 73 29 30 1 74 58 24 1 75 22 24 1 76 22 23 2 77 64 30 1 78 30 38 1 79 30 65 1 80 38 71 1