@MOLECULE [(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}methylsulfonium 27 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.0744 -2.5692 -0.3629 C.2 1 UNL1 0.3183 2 S 2.7559 -1.9140 -0.3389 S.3 1 UNL1 0.0089 3 C 2.3207 -0.3073 -0.5279 C.1 1 UNL1 -0.0352 4 C 2.0487 0.8685 -0.6580 C.1 1 UNL1 -0.0934 5 C 1.7331 2.1952 -0.7919 C.1 1 UNL1 0.1483 6 N 1.4526 3.3154 -0.8943 N.1 1 UNL1 -0.1794 7 C 5.8489 1.3845 0.9351 C.1 1 UNL1 0.6568 8 O 4.7630 1.0343 0.6792 O.2 1 UNL1 -0.3447 9 O 6.9355 1.7264 1.1879 O.2 1 UNL1 -0.3126 10 C 1.2062 -2.5022 -0.0854 C.1 1 UNL1 0.0013 11 C 0.0971 -2.9549 0.1062 C.1 1 UNL1 -0.2324 12 O -3.1326 -1.3260 1.5695 O.2 1 UNL1 -0.2950 13 C -2.6383 -1.3894 0.4880 C.2 1 UNL1 0.4924 14 C -2.3367 -2.6961 -0.2523 C.2 1 UNL1 0.2869 15 O -2.9749 -3.0510 -1.1943 O.2 1 UNL1 -0.2597 16 C -1.1877 -3.5069 0.3450 C.2 1 UNL1 0.4042 17 O -1.4105 -4.5202 0.9515 O.2 1 UNL1 -0.2990 18 N -2.2536 -0.2349 -0.2605 N.ar 1 UNL1 -0.5988 19 C -1.6606 -0.2793 -1.5395 C.ar 1 UNL1 0.5095 20 N -1.5051 1.1076 -1.9485 N.ar 1 UNL1 -0.4418 21 C -1.9584 1.9196 -1.0491 C.ar 1 UNL1 0.2092 22 C -2.4898 1.1229 0.1725 C.ar 1 UNL1 0.2908 23 N -3.0036 1.4133 1.2997 N.pl3 1 UNL1 -0.2563 24 C -3.2604 2.6537 1.7703 C.1 1 UNL1 0.1920 25 N -3.5421 3.6434 2.3076 N.1 1 UNL1 -0.1537 26 C -2.0058 3.3325 -1.1128 C.1 1 UNL1 0.0398 27 N -2.0525 4.4855 -1.1788 N.1 1 UNL1 -0.0565 @BOND 1 20 19 ar 2 20 21 ar 3 19 18 ar 4 15 14 2 5 27 26 3 6 26 21 1 7 21 22 ar 8 6 5 3 9 5 4 1 10 4 3 3 11 3 2 1 12 1 2 2 13 2 10 1 14 18 22 ar 15 18 13 am 16 14 16 1 17 14 13 1 18 10 11 3 19 11 16 1 20 22 23 1 21 16 17 2 22 13 12 2 23 8 7 2 24 7 9 2 25 23 24 1 26 24 25 3