@MOLECULE (2s,3s,4s)-2-{(1r)-2-amino-1-[(2s,3r,4r,5r)-4-(carbamoyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid 57 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3161 -0.2831 -0.7637 O.3 1 UNL1 -0.3676 2 O 2.1232 -2.9303 0.6352 O.3 1 UNL1 -0.3389 3 O 3.0836 -1.4730 -1.3416 O.3 1 UNL1 -0.4084 4 O -1.9331 -1.3485 0.1555 O.3 1 UNL1 -0.3717 5 O -2.9285 0.6400 0.6702 O.2 1 UNL1 -0.3249 6 O -5.3813 -0.7365 0.5025 O.3 1 UNL1 -0.5326 7 O -1.5403 -3.7656 1.1751 O.2 1 UNL1 -0.4720 8 O -5.3098 -1.1168 -2.1797 O.3 1 UNL1 -0.5321 9 O 3.4743 2.1861 -1.2775 O.2 1 UNL1 -0.4982 10 O 5.2520 -1.0359 -0.7416 O.2 1 UNL1 -0.5336 11 O 2.0887 4.8919 2.0907 O.2 1 UNL1 -0.4788 12 O -1.7861 2.9161 0.2142 O.3 1 UNL1 -0.5412 13 O -3.3185 3.4298 -1.3290 O.2 1 UNL1 -0.4658 14 N 1.5880 1.5776 -0.1404 N.ar 1 UNL1 -0.5142 15 N 2.7891 3.5671 0.4168 N.ar 1 UNL1 -0.6222 16 N -0.2840 -2.9939 2.8780 N.am 1 UNL1 -0.6894 17 N 4.7393 -2.3122 -2.5904 N.am 1 UNL1 -0.6588 18 C 0.3749 -1.5064 -0.0245 C.3 1 UNL1 0.0631 19 C 1.7608 -1.5743 0.6521 C.3 1 UNL1 0.0034 20 C 2.6281 -0.6775 -0.2672 C.3 1 UNL1 0.0195 21 C 1.5864 0.3011 -0.8963 C.3 1 UNL1 0.2687 22 C -0.7906 -1.4785 0.9741 C.3 1 UNL1 -0.0125 23 C -3.0562 -0.7659 0.7729 C.3 1 UNL1 0.2630 24 C -0.9042 -2.8546 1.6498 C.2 1 UNL1 0.5333 25 C -4.2318 -1.3481 -0.0409 C.3 1 UNL1 0.0324 26 C 2.6832 2.4463 -0.3979 C.ar 1 UNL1 0.6978 27 C 0.6169 1.8875 0.7948 C.ar 1 UNL1 0.2019 28 C 3.3150 -3.2124 1.3527 C.3 1 UNL1 -0.2094 29 C -4.0872 -0.9176 -1.5179 C.3 1 UNL1 0.1388 30 C 4.4542 -1.5500 -1.4900 C.2 1 UNL1 0.7237 31 C 0.7383 2.9873 1.5809 C.ar 1 UNL1 -0.4596 32 C -3.6666 0.5135 -1.6154 C.2 1 UNL1 -0.2696 33 C -3.1457 1.1638 -0.5698 C.2 1 UNL1 0.1305 34 C 1.8575 3.8952 1.4493 C.ar 1 UNL1 0.6213 35 C -2.8033 2.6036 -0.6232 C.2 1 UNL1 0.6200 36 H 0.2329 -2.3243 -0.7759 H 1 UNL1 0.1911 37 H 1.7649 -1.1835 1.6904 H 1 UNL1 0.1304 38 H 3.4585 -0.1635 0.2620 H 1 UNL1 0.1879 39 H 1.7370 0.4930 -1.9889 H 1 UNL1 0.1938 40 H -0.7206 -0.6423 1.7008 H 1 UNL1 0.1525 41 H -3.1191 -0.9230 1.8669 H 1 UNL1 0.1516 42 H -4.2808 -2.4521 0.0638 H 1 UNL1 0.1558 43 H -0.2543 1.2095 0.8472 H 1 UNL1 0.2025 44 H 3.4568 -4.2854 1.1644 H 1 UNL1 0.1545 45 H 3.1848 -3.0305 2.4218 H 1 UNL1 0.1196 46 H 4.1671 -2.6449 0.9604 H 1 UNL1 0.1476 47 H -3.3799 -1.5923 -2.0660 H 1 UNL1 0.1740 48 H 3.5819 4.1931 0.2545 H 1 UNL1 0.3466 49 H -0.0050 3.2438 2.3336 H 1 UNL1 0.2050 50 H -0.2876 -3.8881 3.3333 H 1 UNL1 0.3139 51 H 0.3362 -2.3134 3.2523 H 1 UNL1 0.2983 52 H -3.8366 0.9827 -2.5838 H 1 UNL1 0.1943 53 H -6.1220 -1.3734 0.5461 H 1 UNL1 0.3246 54 H -6.0100 -0.5479 -1.7826 H 1 UNL1 0.3275 55 H 4.0232 -2.7112 -3.1606 H 1 UNL1 0.3236 56 H 5.6949 -2.4578 -2.8514 H 1 UNL1 0.3277 57 H -1.5289 3.8757 0.1838 H 1 UNL1 0.3615 @BOND 1 55 17 1 2 56 17 1 3 17 30 am 4 52 32 1 5 8 54 1 6 8 29 1 7 47 29 1 8 39 21 1 9 32 29 1 10 32 33 2 11 29 25 1 12 30 3 1 13 30 10 2 14 3 20 1 15 13 35 2 16 9 26 2 17 21 1 1 18 21 20 1 19 21 14 1 20 36 18 1 21 1 18 1 22 35 33 1 23 35 12 1 24 33 5 1 25 26 14 ar 26 26 15 ar 27 20 38 1 28 20 19 1 29 14 27 ar 30 25 42 1 31 25 6 1 32 25 23 1 33 18 19 1 34 18 22 1 35 4 23 1 36 4 22 1 37 57 12 1 38 48 15 1 39 15 34 ar 40 6 53 1 41 2 19 1 42 2 28 1 43 19 37 1 44 5 23 1 45 23 41 1 46 27 43 1 47 27 31 ar 48 46 28 1 49 22 24 1 50 22 40 1 51 44 28 1 52 7 24 2 53 28 45 1 54 34 31 ar 55 34 11 2 56 31 49 1 57 24 16 am 58 16 51 1 59 16 50 1