@MOLECULE 2-amino-9-{5-o-[({[(2-amino-4-oxo-6,7-disulfanyl-1,5,5a,6,7,8,9a,10-octahydro-4h-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6h-purin-6-one 47 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 5.9486 2.6673 0.9261 S.2 1 UNL1 0.0119 2 S 2.8035 2.4184 1.9667 S.2 1 UNL1 0.0708 3 P -0.8617 0.9221 0.4764 P.3 1 UNL1 0.5148 4 P -0.7811 3.9402 0.9321 P.3 1 UNL1 0.5180 5 O 3.1622 -0.7204 -0.1816 O.2 1 UNL1 -0.1707 6 O -4.3369 0.0658 -1.0769 O.3 1 UNL1 0.0934 7 O 0.4268 1.1636 -0.6542 O.3 1 UNL1 0.0120 8 O -6.7293 0.1443 -3.6107 O.2 1 UNL1 -0.1951 9 O -4.2841 1.8272 -4.1612 O.2 1 UNL1 -0.3112 10 O -1.6979 2.2252 -2.0939 O.2 1 UNL1 -0.4053 11 O -1.0239 2.3940 0.8763 O.3 1 UNL1 -0.2592 12 O 9.4743 -1.0895 0.2871 O.2 1 UNL1 -0.3946 13 O -1.9694 0.5657 -0.5566 O.3 1 UNL1 -0.2994 14 O -0.6356 -0.0819 1.4678 O.2 1 UNL1 -0.1182 15 O -1.9265 4.4129 1.6383 O.2 1 UNL1 -0.1006 16 O 0.4284 4.3837 0.3326 O.2 1 UNL1 -0.1242 17 O -8.1384 -3.7265 2.6565 O.2 1 UNL1 -0.1739 18 N 6.7838 -0.2030 0.2498 N.2 1 UNL1 -0.1189 19 N 4.8507 -2.0892 -0.6574 N.2 1 UNL1 -0.4341 20 N -6.2783 -1.1188 -0.8322 N.ar 1 UNL1 -0.5205 21 N 6.5570 -3.5709 -1.1906 N.ar 1 UNL1 -0.4300 22 N 8.9245 -3.0186 -0.7277 N.ar 1 UNL1 -0.5967 23 N -4.9482 -1.2949 1.2327 N.ar 1 UNL1 -0.2220 24 N -8.0059 -2.5033 -0.1594 N.ar 1 UNL1 -0.4587 25 N 8.2887 -4.9754 -1.7726 N.pl3 1 UNL1 -0.0052 26 N -5.8477 -3.2068 2.7259 N.ar 1 UNL1 -0.3592 27 N -5.3292 -2.2026 3.6733 N.ar 1 UNL1 0.0324 28 C 5.4560 0.1029 0.2563 C.3 1 UNL1 -0.1907 29 C 4.9974 1.3885 0.7076 C.2 1 UNL1 0.0105 30 C 4.5517 -0.8936 -0.1907 C.2 1 UNL1 0.3348 31 C 3.5521 1.4689 0.9208 C.2 1 UNL1 -0.0781 32 C 2.7439 0.5239 0.1479 C.3 1 UNL1 0.0989 33 C -5.7559 0.3344 -2.9796 C.2 1 UNL1 0.2952 34 C -4.4420 1.1770 -3.1729 C.2 1 UNL1 0.4192 35 C -5.4880 -0.3003 -1.5683 C.3 1 UNL1 0.2358 36 C -3.6965 0.9237 -2.0030 C.3 1 UNL1 -0.4626 37 C 1.5792 0.8969 -0.4078 C.3 1 UNL1 0.2773 38 C 7.1522 -1.3845 -0.1848 C.ar 1 UNL1 -0.1952 39 C 6.2110 -2.3913 -0.6902 C.ar 1 UNL1 0.3736 40 C -2.4043 1.3805 -1.6251 C.2 1 UNL1 0.6704 41 C 8.6034 -1.7822 -0.1761 C.ar 1 UNL1 0.5837 42 C -5.9633 -1.5784 0.4746 C.ar 1 UNL1 0.1910 43 C -7.5762 -1.6955 -1.2805 C.ar 1 UNL1 0.6775 44 C 7.9668 -3.8499 -1.2248 C.ar 1 UNL1 0.3848 45 C -7.1765 -2.4997 0.8173 C.ar 1 UNL1 0.1213 46 C -7.1968 -3.1787 2.1887 C.ar 1 UNL1 0.4557 47 C -5.0859 -1.9590 2.4349 C.ar 1 UNL1 0.2413 @BOND 1 9 34 2 2 8 33 2 3 34 33 1 4 34 36 1 5 33 35 1 6 10 40 2 7 36 40 1 8 36 6 1 9 25 44 1 10 40 13 1 11 35 6 1 12 35 20 1 13 43 20 ar 14 43 24 ar 15 44 21 ar 16 44 22 ar 17 21 39 ar 18 20 42 ar 19 22 41 ar 20 39 19 2 21 39 38 ar 22 19 30 2 23 7 37 1 24 7 3 1 25 13 3 1 26 37 32 1 27 30 5 1 28 30 28 1 29 38 41 ar 30 38 18 2 31 5 32 1 32 41 12 2 33 24 45 ar 34 32 31 1 35 18 28 1 36 28 29 1 37 16 4 2 38 42 45 ar 39 42 23 ar 40 3 11 1 41 3 14 2 42 29 31 1 43 29 1 2 44 45 46 ar 45 11 4 1 46 31 2 2 47 4 15 2 48 23 47 ar 49 46 17 2 50 46 26 ar 51 47 26 ar 52 47 27 ar 53 26 27 ar