@MOLECULE (2s,3r,4s,5s)-4-{[{[{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2h-pyran-2-carboxylic acid 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.7919 1.4539 -2.1351 P.3 1 UNL1 0.3978 2 P -1.4348 3.7061 -0.0957 P.3 1 UNL1 0.4305 3 O 2.1821 0.5980 0.5799 O.3 1 UNL1 -0.0115 4 O 5.6136 1.4013 0.3991 O.2 1 UNL1 -0.2831 5 O 3.8044 3.7419 0.8422 O.2 1 UNL1 -0.3456 6 O -3.7500 -0.4744 1.9477 O.3 1 UNL1 -0.3914 7 O -1.9757 0.4442 -1.6557 O.3 1 UNL1 -0.1308 8 O -0.0105 3.2089 1.0299 O.3 1 UNL1 -0.0682 9 O -4.2232 -0.9253 -1.4702 O.2 1 UNL1 -0.3197 10 O -0.5230 0.6483 0.9616 O.2 1 UNL1 -0.3953 11 O -2.2486 0.6110 3.1688 O.2 1 UNL1 -0.3075 12 O -0.9665 2.8627 -1.3681 O.3 1 UNL1 -0.1774 13 O -5.6775 -4.4568 0.0766 O.2 1 UNL1 -0.3204 14 O 0.4680 1.3063 -1.3107 O.3 1 UNL1 -0.0760 15 O -1.0491 5.0348 -0.4890 O.2 1 UNL1 -0.1346 16 O -3.8623 -3.2935 0.9776 O.2 1 UNL1 -0.3491 17 O -0.9742 1.5204 -3.5589 O.2 1 UNL1 -0.1414 18 O -2.3883 3.0974 0.7933 O.3 1 UNL1 -0.2321 19 O 3.1402 -5.6410 -0.6545 O.2 1 UNL1 -0.1625 20 N 3.7544 -1.0741 0.2489 N.ar 1 UNL1 -0.4402 21 N 1.4487 -1.8997 -0.0319 N.ar 1 UNL1 -0.3443 22 N 4.7753 -3.1201 -0.0165 N.ar 1 UNL1 -0.4004 23 N 1.2853 -4.3656 -0.4495 N.ar 1 UNL1 -0.3076 24 N -0.5864 -3.0052 -0.3320 N.pl3 1 UNL1 -0.0344 25 C 4.4209 1.3878 0.5023 C.2 1 UNL1 0.3022 26 C 3.4918 2.5964 0.7148 C.2 1 UNL1 0.4017 27 C 3.4971 0.2642 0.4434 C.3 1 UNL1 0.0480 28 C 2.1546 2.0081 0.7298 C.3 1 UNL1 -0.3231 29 C -2.3661 0.1210 -0.4446 C.3 1 UNL1 -0.0352 30 C 0.9777 2.6040 0.8533 C.3 1 UNL1 0.5900 31 C -3.6676 -0.5855 -0.4552 C.2 1 UNL1 0.1802 32 C -1.6844 0.3416 0.8115 C.2 1 UNL1 0.3387 33 C -4.3360 -0.8751 0.9062 C.3 1 UNL1 0.3536 34 C -2.5151 0.2070 2.0866 C.2 1 UNL1 0.4516 35 C 2.7202 -2.0324 0.0160 C.ar 1 UNL1 0.2397 36 C 5.0351 -1.6838 0.2528 C.ar 1 UNL1 0.5617 37 C 3.5195 -3.3342 -0.1540 C.ar 1 UNL1 0.0212 38 C -4.7749 -3.8685 0.5240 C.1 1 UNL1 0.6775 39 C 2.6969 -4.5445 -0.4371 C.ar 1 UNL1 0.4465 40 C 0.6928 -3.1103 -0.2789 C.ar 1 UNL1 0.2907 @BOND 1 17 1 2 2 1 7 1 3 1 12 1 4 1 14 1 5 7 29 1 6 9 31 2 7 12 2 1 8 19 39 2 9 15 2 2 10 31 29 1 11 31 33 1 12 23 39 ar 13 23 40 ar 14 29 32 1 15 39 37 ar 16 24 40 1 17 40 21 ar 18 37 22 ar 19 37 35 ar 20 2 18 1 21 2 8 1 22 21 35 ar 23 22 36 ar 24 35 20 ar 25 13 38 2 26 20 36 ar 27 20 27 1 28 4 25 2 29 27 25 1 30 27 3 1 31 25 26 1 32 38 16 2 33 3 28 1 34 26 28 1 35 26 5 2 36 28 30 1 37 32 10 2 38 32 34 1 39 30 8 1 40 33 6 1 41 6 34 1 42 34 11 2