@MOLECULE 5'-o-[4-(fluorosulfonyl)benzoyl]inosine 46 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 6.8256 -1.1565 -0.4174 S.O2 1 UNL1 2.3280 2 F 6.9314 -2.0816 0.8268 F 1 UNL1 -0.4246 3 O -1.6403 1.1189 -1.0360 O.3 1 UNL1 -0.3689 4 O -4.7343 2.6516 -0.5708 O.3 1 UNL1 -0.5436 5 O -2.5099 4.0042 -0.7011 O.3 1 UNL1 -0.5497 6 O 0.6399 0.8115 0.8412 O.3 1 UNL1 -0.3909 7 O -5.6201 -4.1698 0.8309 O.2 1 UNL1 -0.3658 8 O 1.5395 2.8634 1.0026 O.2 1 UNL1 -0.4968 9 O 6.6516 -2.0320 -1.5351 O.2 1 UNL1 -0.8584 10 O 7.9148 -0.2355 -0.3044 O.2 1 UNL1 -0.8618 11 N -3.3382 -0.3688 -0.5485 N.ar 1 UNL1 -0.3972 12 N -3.0832 -2.5351 0.0661 N.ar 1 UNL1 -0.2831 13 N -5.8338 -0.2498 -0.3668 N.ar 1 UNL1 -0.5156 14 N -6.8336 -2.2992 0.3536 N.ar 1 UNL1 -0.5363 15 C -3.6162 2.0436 -0.0100 C.3 1 UNL1 0.0632 16 C -2.4068 2.9759 0.2540 C.3 1 UNL1 0.0569 17 C -3.0394 0.9838 -1.0052 C.3 1 UNL1 0.2279 18 C -1.1938 2.0827 -0.0817 C.3 1 UNL1 0.0175 19 C -0.6395 1.3544 1.1423 C.3 1 UNL1 -0.0683 20 C -4.6045 -0.8723 -0.2848 C.ar 1 UNL1 0.2113 21 C -2.4329 -1.4415 -0.3261 C.ar 1 UNL1 0.1031 22 C -4.4326 -2.2224 0.1049 C.ar 1 UNL1 -0.1636 23 C -5.5988 -3.0278 0.4661 C.ar 1 UNL1 0.5954 24 C 1.6814 1.6845 0.7974 C.2 1 UNL1 0.5837 25 C -6.9322 -1.0668 -0.0114 C.ar 1 UNL1 0.3146 26 C 2.9329 0.9686 0.4836 C.ar 1 UNL1 -0.0945 27 C 4.1366 1.5247 0.9187 C.ar 1 UNL1 -0.1193 28 C 2.9113 -0.2249 -0.2370 C.ar 1 UNL1 -0.1082 29 C 5.3148 -0.3319 -0.0686 C.ar 1 UNL1 -0.3652 30 C 5.3337 0.8669 0.6421 C.ar 1 UNL1 -0.0825 31 C 4.1128 -0.8752 -0.5170 C.ar 1 UNL1 -0.0844 32 H -4.0009 1.5917 0.9327 H 1 UNL1 0.1679 33 H -2.3954 3.4039 1.2736 H 1 UNL1 0.1472 34 H -3.3868 1.1267 -2.0604 H 1 UNL1 0.1759 35 H -0.3996 2.6358 -0.6370 H 1 UNL1 0.1869 36 H -1.2168 0.4378 1.3884 H 1 UNL1 0.1744 37 H -0.5704 2.0091 2.0308 H 1 UNL1 0.1538 38 H -4.4749 3.4162 -1.1469 H 1 UNL1 0.3623 39 H -1.9221 4.7572 -0.4779 H 1 UNL1 0.3418 40 H -1.3710 -1.3323 -0.4793 H 1 UNL1 0.2076 41 H -5.9070 0.7370 -0.5791 H 1 UNL1 0.3443 42 H -7.9147 -0.5690 -0.0778 H 1 UNL1 0.1917 43 H 4.1364 2.4700 1.4668 H 1 UNL1 0.1751 44 H 1.9629 -0.6484 -0.5784 H 1 UNL1 0.1802 45 H 6.2777 1.3124 0.9822 H 1 UNL1 0.1834 46 H 4.0902 -1.8085 -1.0954 H 1 UNL1 0.1848 @BOND 1 34 17 1 2 9 1 2 3 38 4 1 4 46 31 1 5 3 17 1 6 3 18 1 7 17 11 1 8 17 15 1 9 5 39 1 10 5 16 1 11 35 18 1 12 41 13 1 13 44 28 1 14 4 15 1 15 11 21 ar 16 11 20 ar 17 31 28 ar 18 31 29 ar 19 40 21 1 20 1 10 2 21 1 29 1 22 1 2 1 23 13 20 ar 24 13 25 ar 25 21 12 ar 26 20 22 ar 27 28 26 ar 28 18 16 1 29 18 19 1 30 42 25 1 31 29 30 ar 32 25 14 ar 33 15 16 1 34 15 32 1 35 12 22 ar 36 22 23 ar 37 16 33 1 38 14 23 ar 39 23 7 2 40 26 24 1 41 26 27 ar 42 30 27 ar 43 30 45 1 44 24 6 1 45 24 8 2 46 6 19 1 47 27 43 1 48 19 36 1 49 19 37 1