@MOLECULE [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate 39 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.2418 1.8544 1.5697 S.3 1 UNL1 0.4768 2 P -1.1209 -1.2644 1.5553 P.3 1 UNL1 0.1026 3 P 0.8207 -0.6430 1.5383 P.3 1 UNL1 0.0408 4 O 3.6291 1.9401 0.8841 O.2 1 UNL1 -0.4865 5 O -3.1503 -2.1868 -0.9547 O.2 1 UNL1 -0.0027 6 O 1.7288 -0.1002 0.5164 O.2 1 UNL1 -0.3395 7 O 1.4215 -1.5340 2.8337 O.3 1 UNL1 0.3883 8 O 2.4422 -1.9026 -2.1926 O.2 2 UNL2 -0.4129 9 O -1.6599 -2.2353 2.5083 O.2 1 UNL1 -0.2199 10 O -0.4529 0.3107 2.1749 O.3 1 UNL1 -0.2366 11 O -0.7766 -1.0841 -1.8289 O.2 2 UNL2 -0.1842 12 O -4.6255 0.2554 -2.0378 O.2 1 UNL1 -0.3033 13 O -3.5912 2.6530 -0.6302 O.2 1 UNL1 -0.3568 14 O 2.4744 -2.0539 2.6960 O.3 1 UNL1 -0.1209 15 O 0.1004 3.5296 -1.5871 O.3 2 UNL2 -0.3119 16 O 5.9935 -3.1236 0.0759 O.2 2 UNL2 -0.2403 17 O -2.5287 4.7917 1.2865 O.3 1 UNL1 -0.3145 18 O 6.8038 1.3532 -0.7780 O.2 2 UNL2 -0.3057 19 O -7.6970 -1.4794 -0.3915 O.3 1 UNL1 -0.1899 20 N 3.5662 0.4749 -1.4960 N.3 2 UNL2 0.0895 21 N -4.3306 -2.8099 -1.1031 N.4 1 UNL1 0.1332 22 N 6.5407 -0.8666 -0.4566 N.am 2 UNL2 -0.5944 23 C 2.2603 0.4392 -1.7834 C.3 2 UNL2 0.1351 24 C -2.1949 -0.4148 0.3875 C.2 1 UNL1 0.0709 25 C -3.0660 -0.8887 -0.5699 C.2 1 UNL1 -0.0334 26 C 1.7278 -0.9344 -2.0376 C.2 2 UNL2 0.3843 27 C 1.4960 1.5361 -1.7653 C.1 2 UNL2 -0.5379 28 C 0.3063 -0.9714 -2.2150 C.2 2 UNL2 0.2345 29 C -3.7918 0.2643 -1.1874 C.2 1 UNL1 0.3264 30 C -3.2268 1.5240 -0.4622 C.2 1 UNL1 0.3691 31 C -2.2314 1.0245 0.4835 C.3 1 UNL1 -0.3350 32 C 0.7771 2.5789 -1.6776 C.1 2 UNL2 0.5068 33 C 6.1246 -2.0034 -0.2139 C.1 2 UNL2 0.6214 34 C 2.6092 2.3357 1.2146 C.2 1 UNL1 0.4828 35 C -2.3086 3.6774 1.2915 C.3 1 UNL1 0.4250 36 C 6.0778 0.3991 -0.8118 C.2 2 UNL2 0.6880 37 C 4.7006 0.4405 -1.2375 C.3 2 UNL2 -0.0634 38 C -6.6246 -1.8544 -0.6076 C.1 1 UNL1 0.5622 39 C -5.4312 -2.2961 -0.8418 C.1 1 UNL1 -0.4477 @BOND 1 28 26 1 2 28 11 2 3 8 26 2 4 12 29 2 5 26 23 1 6 23 27 1 7 23 20 1 8 27 32 3 9 32 15 1 10 20 37 1 11 37 36 1 12 29 25 1 13 29 30 1 14 21 5 1 15 21 39 1 16 5 25 1 17 39 38 3 18 36 18 2 19 36 22 1 20 13 30 2 21 38 19 1 22 25 24 2 23 30 31 1 24 22 33 2 25 33 16 2 26 24 31 1 27 24 2 1 28 31 1 1 29 6 3 2 30 4 34 2 31 17 35 1 32 35 1 1 33 3 2 1 34 3 10 1 35 3 7 1 36 2 10 1 37 2 9 2 38 14 7 1