@MOLECULE 2-amino-7-methyl-9-(beta-d-ribofuranosyl)-7h-purin-9-ium-6-thiolate 21 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.8136 -0.5258 -0.0290 S.2 1 UNL1 0.2292 2 O 2.2316 0.7693 -1.2193 O.2 1 UNL1 -0.2017 3 O 2.0911 1.7166 2.1536 O.2 1 UNL1 -0.3064 4 O 4.1116 -0.3949 1.5273 O.2 1 UNL1 -0.3477 5 O 3.9603 -2.0399 -2.0262 O.2 1 UNL1 -0.1657 6 N 0.0922 1.2728 -0.2524 N.pl3 1 UNL1 -0.4920 7 N -2.7466 1.7033 -0.5598 N.1 1 UNL1 -0.5542 8 N -0.3367 -0.9265 0.3161 N.ar 1 UNL1 -0.3860 9 N -2.5977 -1.8190 0.4293 N.ar 1 UNL1 -0.3354 10 N -0.7289 -3.1626 0.8874 N.pl3 1 UNL1 -0.0365 11 C 1.5467 1.3989 -0.1777 C.3 1 UNL1 -0.0696 12 C 2.2810 1.1794 1.1086 C.2 1 UNL1 0.3537 13 C 3.3272 0.0961 0.7717 C.2 1 UNL1 0.4098 14 C 3.0986 -0.1764 -0.6367 C.2 1 UNL1 -0.3158 15 C 3.5347 -1.1804 -1.3861 C.1 1 UNL1 0.5229 16 C -0.8318 0.2661 -0.0400 C.ar 1 UNL1 0.3474 17 C 0.4686 2.4908 -0.6481 C.3 1 UNL1 0.5026 18 C -2.2450 0.4978 -0.1881 C.ar 1 UNL1 0.0757 19 C -3.1621 2.7734 -0.8849 C.1 1 UNL1 0.4279 20 C -3.0861 -0.6271 0.0792 C.ar 1 UNL1 0.0270 21 C -1.2261 -1.9641 0.5425 C.ar 1 UNL1 0.3148 @BOND 1 5 15 2 2 15 14 2 3 2 14 1 4 2 11 1 5 19 7 3 6 17 6 1 7 17 11 1 8 14 13 1 9 7 18 1 10 6 11 1 11 6 16 1 12 18 16 ar 13 18 20 ar 14 11 12 1 15 16 8 ar 16 1 20 2 17 20 9 ar 18 8 21 ar 19 9 21 ar 20 21 10 1 21 13 12 1 22 13 4 2 23 12 3 2