@MOLECULE (1xi)-1,5-anhydro-6-deoxy-1-[(s)-[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]{[hydroxy(phosphonooxy)phosphoryl]oxy}methyl]-l-mannitol 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.6216 1.4720 0.6672 P.3 1 UNL1 0.3407 2 P 1.7812 3.1645 -0.1458 P.3 1 UNL1 0.3702 3 O -1.6917 -1.5197 0.8477 O.3 1 UNL1 -0.3542 4 O 2.4994 -0.3870 -1.1057 O.3 1 UNL1 -0.4490 5 O 0.3351 0.1646 0.7106 O.3 1 UNL1 -0.3307 6 O -0.3796 -4.1213 -0.8621 O.3 1 UNL1 -0.5485 7 O 2.5121 -0.4853 1.8840 O.3 1 UNL1 -0.5487 8 O -2.9104 -4.3021 -0.4234 O.3 1 UNL1 -0.5161 9 O 4.6911 -1.9937 1.9696 O.3 1 UNL1 -0.5489 10 O 5.8924 -1.4775 -0.6195 O.3 1 UNL1 -0.5568 11 O 0.3207 2.6106 0.1200 O.3 1 UNL1 -0.1969 12 O -0.7664 1.6931 2.2276 O.3 1 UNL1 -0.2412 13 O -1.8462 1.4802 -0.1111 O.2 1 UNL1 -0.2088 14 O -4.9549 -0.8758 1.6790 O.2 1 UNL1 -0.5180 15 O -5.2897 2.8009 -0.9419 O.2 1 UNL1 -0.4786 16 O 2.3681 2.3009 -1.3253 O.3 1 UNL1 -0.3057 17 O 2.6773 2.6489 1.0803 O.3 1 UNL1 -0.4465 18 O 1.6843 4.5847 -0.4057 O.2 1 UNL1 -0.1827 19 N -3.6504 -0.8229 -0.2087 N.ar 1 UNL1 -0.4808 20 N -5.1472 0.9696 0.3520 N.ar 1 UNL1 -0.6179 21 C -0.5532 -2.0192 0.1673 C.3 1 UNL1 0.0083 22 C 0.3419 -0.8334 -0.2851 C.3 1 UNL1 0.1149 23 C 1.8065 -1.3572 -0.3405 C.3 1 UNL1 0.0056 24 C -1.0314 -2.8849 -1.0159 C.3 1 UNL1 0.0321 25 C 2.4981 -1.5832 1.0144 C.3 1 UNL1 0.0691 26 C -2.5660 -3.0095 -0.8251 C.3 1 UNL1 0.0245 27 C -2.9033 -1.9821 0.2890 C.3 1 UNL1 0.2205 28 C 3.9764 -1.9730 0.7584 C.3 1 UNL1 0.0285 29 C 4.6550 -0.9566 -0.1799 C.3 1 UNL1 0.0463 30 C 3.8270 -0.7746 -1.4688 C.3 1 UNL1 0.1197 31 C 4.3456 0.3680 -2.3236 C.3 1 UNL1 -0.4742 32 C -4.5978 -0.2612 0.6967 C.ar 1 UNL1 0.7199 33 C -3.1565 -0.0639 -1.2695 C.ar 1 UNL1 0.1919 34 C -3.6904 1.1418 -1.5849 C.ar 1 UNL1 -0.3870 35 C -4.7286 1.7457 -0.7688 C.ar 1 UNL1 0.6306 36 H -0.0387 -2.6400 0.9405 H 1 UNL1 0.1668 37 H 0.0612 -0.4735 -1.3064 H 1 UNL1 0.1433 38 H 1.8110 -2.3197 -0.9158 H 1 UNL1 0.1410 39 H -0.7593 -2.4810 -2.0114 H 1 UNL1 0.1356 40 H 1.9799 -2.3673 1.6157 H 1 UNL1 0.1569 41 H -3.1567 -2.8738 -1.7544 H 1 UNL1 0.1698 42 H -3.4632 -2.4509 1.1476 H 1 UNL1 0.2001 43 H 4.0786 -3.0124 0.3762 H 1 UNL1 0.1550 44 H 4.8431 0.0095 0.3377 H 1 UNL1 0.1483 45 H 3.7735 -1.7254 -2.0441 H 1 UNL1 0.1307 46 H 4.5385 1.2818 -1.7411 H 1 UNL1 0.1770 47 H 3.6348 0.6369 -3.1166 H 1 UNL1 0.1647 48 H 5.2993 0.0885 -2.7944 H 1 UNL1 0.1712 49 H -0.8545 -4.8344 -1.3494 H 1 UNL1 0.3393 50 H 2.5007 0.3687 1.3912 H 1 UNL1 0.3568 51 H -2.4247 -4.5646 0.3966 H 1 UNL1 0.3316 52 H 4.3627 -1.2685 2.5574 H 1 UNL1 0.3415 53 H 6.3957 -1.8199 0.1547 H 1 UNL1 0.3377 54 H -2.3505 -0.5204 -1.8549 H 1 UNL1 0.1574 55 H -5.8385 1.3702 0.9904 H 1 UNL1 0.3439 56 H -3.3376 1.7357 -2.4259 H 1 UNL1 0.2045 57 H 0.0578 1.2531 2.6839 H 1 UNL1 0.3201 58 H 2.3738 1.3009 -1.0607 H 1 UNL1 0.3453 59 H 2.6922 3.3480 1.8175 H 1 UNL1 0.3299 @BOND 1 47 31 1 2 48 31 1 3 56 34 1 4 31 46 1 5 31 30 1 6 45 30 1 7 39 24 1 8 54 33 1 9 41 26 1 10 34 33 ar 11 34 35 ar 12 30 4 1 13 30 29 1 14 49 6 1 15 16 58 1 16 16 2 1 17 37 22 1 18 33 19 ar 19 4 23 1 20 24 6 1 21 24 26 1 22 24 21 1 23 15 35 2 24 38 23 1 25 26 8 1 26 26 27 1 27 35 20 ar 28 10 29 1 29 10 53 1 30 8 51 1 31 18 2 2 32 23 22 1 33 23 25 1 34 22 21 1 35 22 5 1 36 19 27 1 37 19 32 ar 38 29 44 1 39 29 28 1 40 2 11 1 41 2 17 1 42 13 1 2 43 11 1 1 44 21 3 1 45 21 36 1 46 27 3 1 47 27 42 1 48 20 32 ar 49 20 55 1 50 43 28 1 51 1 5 1 52 1 12 1 53 32 14 2 54 28 25 1 55 28 9 1 56 25 40 1 57 25 7 1 58 17 59 1 59 50 7 1 60 9 52 1 61 12 57 1