@MOLECULE 9-[3,6-anhydro-6-carboxy-6-(carboxymethyl)-5-deoxyhexofuranosyl]-9h-purin-6-amine 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4868 1.8653 -0.0439 O.2 1 UNL1 0.0860 2 O -0.1783 -0.4464 -0.0769 O.2 1 UNL1 -0.1883 3 O -0.5550 3.1285 -0.0828 O.2 1 UNL1 -0.2645 4 O 4.4205 -1.7690 0.0463 O.2 1 UNL1 -0.4675 5 O 2.5227 -2.8465 -0.0640 O.2 1 UNL1 -0.2968 6 O 6.4272 -0.9087 0.1960 O.2 1 UNL1 -0.2928 7 O 5.3617 1.6951 0.0176 O.2 1 UNL1 -0.2368 8 N -2.2651 0.7521 -0.0368 N.2 1 UNL1 -0.4141 9 N -4.7447 1.7611 0.0707 N.1 1 UNL1 -0.5278 10 N -2.9719 -1.4732 -0.0638 N.2 1 UNL1 -0.3294 11 N -4.4432 -3.4995 -0.0905 N.1 1 UNL1 -0.1698 12 N -6.7927 -0.9518 0.1753 N.1 1 UNL1 -0.1080 13 C 1.1853 1.4318 -0.0688 C.ar 1 UNL1 -0.2636 14 C 1.0963 0.0310 -0.0680 C.ar 1 UNL1 0.2521 15 C 2.4252 -0.4481 -0.0408 C.ar 1 UNL1 -0.2540 16 C 3.2091 0.7071 -0.0236 C.ar 1 UNL1 0.0227 17 C -0.1271 2.0215 -0.0775 C.ar 1 UNL1 0.4419 18 C -1.0094 0.7132 -0.0658 C.ar 1 UNL1 0.3215 19 C 4.6691 0.7195 0.0263 C.ar 1 UNL1 0.3025 20 C 3.0249 -1.7684 -0.0264 C.ar 1 UNL1 0.6221 21 C -3.2894 -0.2053 -0.0108 C.2 1 UNL1 0.3703 22 C 5.2589 -0.6958 0.0990 C.ar 1 UNL1 0.5075 23 C -4.7458 2.9613 0.0779 C.1 1 UNL1 0.4663 24 C -4.6139 0.4197 0.0644 C.3 1 UNL1 0.1814 25 C -5.8020 -0.3529 0.1261 C.1 1 UNL1 0.0387 26 C -3.8264 -2.5133 -0.0657 C.1 1 UNL1 0.2004 @BOND 1 11 26 3 2 3 17 2 3 17 13 ar 4 17 18 ar 5 2 14 ar 6 2 18 ar 7 13 14 ar 8 13 1 ar 9 14 15 ar 10 18 8 2 11 26 10 1 12 5 20 2 13 10 21 2 14 1 16 ar 15 15 20 ar 16 15 16 ar 17 8 21 1 18 20 4 ar 19 16 19 ar 20 21 24 1 21 7 19 2 22 19 22 ar 23 4 22 ar 24 24 9 1 25 24 25 1 26 9 23 3 27 22 6 2 28 25 12 3