@MOLECULE methyl (2s)-2-{[{[(2s,3s,5r)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(4-methoxyphenoxy)phosphoryl]amino}propanoate 40 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -5.5951 0.5856 -0.8165 Br 1 UNL1 -0.0221 2 P 3.5301 -0.5287 -0.3748 P.3 1 UNL1 0.1863 3 O -0.4922 -1.6520 -0.0045 O.2 1 UNL1 -0.3159 4 O -1.4014 0.4507 1.6533 O.2 1 UNL1 -0.5456 5 O 2.7923 -2.0006 -0.0135 O.3 1 UNL1 0.1588 6 O -2.2982 -0.6850 -2.4212 O.2 1 UNL1 -0.2882 7 O -2.7982 2.8690 0.4959 O.2 1 UNL1 -0.4793 8 O 2.8328 0.3530 0.9133 O.3 1 UNL1 -0.3145 9 O 3.3685 0.2568 -1.6164 O.2 1 UNL1 -0.3207 10 O 5.1624 2.2985 -1.7786 O.2 2 UNL2 -0.5014 11 O 7.6115 2.1250 -0.6250 O.2 1 UNL1 -0.2714 12 O -0.9287 4.5275 1.0479 O.3 1 UNL1 -0.2962 13 N -2.7878 -1.2582 -0.1899 N.am 1 UNL1 -0.3729 14 N 0.0165 -5.2432 0.3439 N.2 1 UNL1 -0.3459 15 N -2.5698 1.0164 -0.9703 N.am 1 UNL1 -0.5643 16 N 1.2181 -5.5917 0.4315 N.2 1 UNL1 0.4064 17 N 5.0931 -0.5698 0.2186 N.pl3 1 UNL1 -0.2760 18 N 2.1961 -6.1585 0.5371 N.2 1 UNL1 -0.1727 19 C -1.7958 -2.2543 -0.0484 C.ar 1 UNL1 0.2840 20 C -1.7531 -3.5925 0.0654 C.ar 1 UNL1 -0.3192 21 C -0.3950 -3.9359 0.1881 C.ar 1 UNL1 0.2778 22 C 0.3825 -2.7311 0.1117 C.ar 1 UNL1 -0.2338 23 C -3.8279 -1.3170 0.6294 C.2 1 UNL1 0.1694 24 C -5.0284 -0.5752 0.5788 C.2 1 UNL1 -0.6530 25 C 1.7150 -2.5049 0.0706 C.3 1 UNL1 0.2663 26 C -2.5354 -0.3545 -1.3028 C.2 1 UNL1 0.7097 27 C -2.6765 1.8635 -0.1113 C.1 1 UNL1 0.7179 28 C -5.9259 -0.7826 1.5431 C.3 1 UNL1 0.5793 29 C -0.6591 -0.3034 2.0964 C.2 1 UNL1 0.5402 30 C 6.3073 0.2440 0.2454 C.2 1 UNL1 -0.6237 31 C 6.0182 -0.9323 1.1262 C.3 1 UNL1 0.4873 32 C 2.1483 1.4215 0.8865 C.ar 1 UNL1 0.4932 33 C 6.9442 1.2518 -0.2497 C.1 1 UNL1 0.5770 34 C 1.5090 2.0323 2.0030 C.ar 1 UNL1 -0.1573 35 C 1.6372 2.2847 -0.1263 C.ar 1 UNL1 -0.0776 36 C 0.6484 2.9539 2.0881 C.ar 1 UNL1 -0.0160 37 C 0.7712 3.2071 -0.1261 C.ar 1 UNL1 -0.0520 38 C 0.1424 3.6741 1.0179 C.ar 1 UNL1 0.0535 39 C 4.3393 2.2136 -2.5687 C.2 2 UNL2 0.4973 40 C -1.9873 4.9894 0.9776 C.3 1 UNL1 0.8153 @BOND 1 39 10 2 2 6 26 2 3 9 2 2 4 26 15 1 5 26 13 am 6 15 27 2 7 1 24 1 8 11 33 2 9 2 5 1 10 2 17 1 11 2 8 1 12 33 30 2 13 13 19 1 14 13 23 1 15 35 37 ar 16 35 32 ar 17 37 38 ar 18 27 7 2 19 19 3 ar 20 19 20 ar 21 5 25 1 22 3 22 ar 23 20 21 ar 24 25 22 1 25 22 21 ar 26 21 14 1 27 17 30 1 28 17 31 1 29 30 31 1 30 14 16 2 31 16 18 2 32 24 23 2 33 24 28 1 34 32 8 1 35 32 34 ar 36 40 12 1 37 38 12 1 38 38 36 ar 39 4 29 2 40 34 36 ar