@MOLECULE 2-{[3-acetamido-2-{[{[{[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 USER_CHARGES @ATOM 1 N 6.6333 0.9587 -0.8477 N.am 1 UNL11111111 -0.4771 2 C 6.1099 1.3809 0.3988 C.2 1 UNL11111111 0.7216 3 N 6.4790 2.6490 0.8326 N.am 1 UNL11111111 -0.6244 4 C 7.2885 3.5520 0.0773 C.2 1 UNL11111111 0.6186 5 C 7.7380 3.0464 -1.2068 C.2 1 UNL11111111 -0.4245 6 C 7.3917 1.8109 -1.6370 C.2 1 UNL11111111 0.1696 7 O 5.4063 0.6515 1.0690 O.2 1 UNL11111111 -0.5434 8 O 7.5166 4.6277 0.5733 O.2 1 UNL11111111 -0.4630 9 C 6.1551 -0.3087 -1.4172 C.3 1 UNL11111111 0.2568 10 C 6.2787 -1.5056 -0.4396 C.3 1 UNL11111111 0.0679 11 O 7.0928 -2.4437 -1.0909 O.3 1 UNL11111111 -0.5525 12 C 4.8151 -1.9830 -0.2217 C.3 1 UNL11111111 0.0814 13 C 3.9389 -1.0506 -1.0808 C.3 1 UNL11111111 0.0340 14 O 4.7948 -0.1057 -1.7298 O.3 1 UNL11111111 -0.4365 15 O 4.7757 -3.3271 -0.6478 O.3 1 UNL11111111 -0.5749 16 C 2.8968 -0.2402 -0.2909 C.3 1 UNL11111111 -0.0397 17 O 1.5468 -0.6365 -0.5613 O.3 1 UNL11111111 -0.2454 18 P 0.9840 -2.0865 -0.1922 P.3 1 UNL11111111 0.3857 19 O 0.5693 -2.8617 -1.3412 O.2 1 UNL11111111 -0.1737 20 O 2.0936 -2.8098 0.6951 O.3 1 UNL11111111 -0.3982 21 O -0.2956 -1.9527 0.7104 O.3 1 UNL11111111 -0.1970 22 P -1.0148 -1.3001 1.9669 P.3 1 UNL11111111 0.3766 23 O -0.2972 -0.3997 2.8451 O.2 1 UNL11111111 -0.2548 24 O -1.5203 -2.6273 2.6799 O.3 1 UNL11111111 -0.3197 25 C -3.5131 -0.5508 1.7827 C.3 1 UNL11111111 0.3079 26 C -4.5352 -0.4145 0.6057 C.3 1 UNL11111111 0.0036 27 C -4.4446 0.9609 -0.1005 C.3 1 UNL11111111 0.0172 28 C -4.2016 2.1499 0.8529 C.3 1 UNL11111111 0.0638 29 C -3.0670 1.7764 1.8196 C.3 1 UNL11111111 0.0063 30 C -2.7404 2.8172 2.8947 C.3 1 UNL11111111 -0.0181 31 C -4.8865 -2.7166 -0.2359 C.2 1 UNL11111111 0.6181 32 C -4.8090 -3.6078 -1.4414 C.3 1 UNL11111111 -0.5316 33 N -4.3415 -1.4563 -0.3990 N.am 1 UNL11111111 -0.5891 34 O -2.2660 -0.7327 1.1332 O.3 1 UNL11111111 -0.2920 35 O -5.7538 1.0732 -0.6434 O.3 1 UNL11111111 -0.3822 36 O -3.8461 3.2776 0.0825 O.3 1 UNL11111111 -0.5606 37 O -3.4943 0.6289 2.5390 O.3 1 UNL11111111 -0.4253 38 O -1.3470 3.0479 2.9208 O.3 1 UNL11111111 -0.5620 39 O -5.3869 -3.0400 0.8237 O.2 1 UNL11111111 -0.5693 40 C -5.2862 1.1002 -2.9718 C.2 1 UNL11111111 0.6041 41 C -5.8760 1.8694 -1.7975 C.3 1 UNL11111111 0.0479 42 C -7.3899 2.0575 -1.9671 C.3 1 UNL11111111 -0.2605 43 C -7.9362 2.9663 -0.8676 C.3 1 UNL11111111 -0.4293 44 O -4.5667 0.1311 -2.9638 O.2 1 UNL11111111 -0.5457 45 O -5.6433 1.6804 -4.1374 O.3 1 UNL11111111 -0.5558 46 H 6.1332 2.9556 1.7465 H 1 UNL11111111 0.3465 47 H 8.3649 3.7174 -1.7955 H 1 UNL11111111 0.2065 48 H 7.7106 1.4119 -2.6115 H 1 UNL11111111 0.1753 49 H 6.6695 -0.5154 -2.3907 H 1 UNL11111111 0.1653 50 H 6.8076 -1.2609 0.5068 H 1 UNL11111111 0.1694 51 H 6.5963 -3.2964 -1.2144 H 1 UNL11111111 0.3545 52 H 4.5346 -2.0067 0.8532 H 1 UNL11111111 0.1684 53 H 3.4842 -1.5898 -1.9438 H 1 UNL11111111 0.1609 54 H 4.0096 -3.5122 -1.2332 H 1 UNL11111111 0.3482 55 H 2.8357 0.8054 -0.6838 H 1 UNL11111111 0.1635 56 H 3.1325 -0.1783 0.7905 H 1 UNL11111111 0.1557 57 H 2.0693 -2.4657 1.6622 H 1 UNL11111111 0.3359 58 H -1.9580 -3.2376 1.9724 H 1 UNL11111111 0.3263 59 H -3.8423 -1.3223 2.5210 H 1 UNL11111111 0.1653 60 H -5.5647 -0.5190 1.0670 H 1 UNL11111111 0.1841 61 H -3.6663 0.9521 -0.8977 H 1 UNL11111111 0.1561 62 H -5.1405 2.4630 1.3596 H 1 UNL11111111 0.1678 63 H -2.1398 1.5642 1.2280 H 1 UNL11111111 0.1680 64 H -3.1635 3.8148 2.6695 H 1 UNL11111111 0.1514 65 H -3.0695 2.4847 3.8981 H 1 UNL11111111 0.1435 66 H -5.0883 -4.6369 -1.1711 H 1 UNL11111111 0.1819 67 H -5.5097 -3.2743 -2.2180 H 1 UNL11111111 0.1752 68 H -3.8045 -3.6370 -1.8753 H 1 UNL11111111 0.1819 69 H -4.0019 -1.1434 -1.3039 H 1 UNL11111111 0.3378 70 H -2.8812 3.3063 -0.0889 H 1 UNL11111111 0.3260 71 H -0.8614 2.1939 3.0098 H 1 UNL11111111 0.3384 72 H -5.3425 2.8452 -1.6705 H 1 UNL11111111 0.1826 73 H -7.8979 1.0730 -1.9266 H 1 UNL11111111 0.1575 74 H -7.6045 2.4834 -2.9675 H 1 UNL11111111 0.1615 75 H -9.0182 3.1087 -0.9732 H 1 UNL11111111 0.1445 76 H -7.7540 2.5340 0.1264 H 1 UNL11111111 0.1580 77 H -7.4688 3.9573 -0.8857 H 1 UNL11111111 0.1473 78 H -5.2784 1.2371 -4.9446 H 1 UNL11111111 0.3597 @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 41 72 1 15 41 35 1 16 47 5 1 17 14 9 1 18 14 13 1 19 6 5 2 20 6 1 1 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 1 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 43 76 1 37 1 2 am 38 55 16 1 39 15 12 1 40 35 27 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 20 1 51 18 21 1 52 27 26 1 53 27 28 1 54 70 36 1 55 4 8 2 56 4 3 am 57 36 28 1 58 2 3 am 59 2 7 2 60 26 60 1 61 26 25 1 62 20 57 1 63 21 22 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 22 24 1 75 22 23 2 76 58 24 1 77 64 30 1 78 30 38 1 79 30 65 1 80 38 71 1