@MOLECULE 9-(beta-d-ribofuranosyluronosyl)-9h-purin-6-amine 20 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.1547 -0.4973 -0.0334 O.3 1 UNL1 -0.0062 2 O 1.5912 2.9976 0.0309 O.2 1 UNL1 -0.2521 3 O 4.1193 1.3829 0.0937 O.2 1 UNL1 -0.2125 4 O 2.4513 -2.7356 -0.0060 O.co2 1 UNL1 -0.0355 5 O 4.4541 -1.7649 -0.0740 O.co2 1 UNL1 -0.3791 6 N -0.6986 0.8884 -0.0338 N.ar 1 UNL1 -0.2503 7 N -2.8035 1.8591 -0.0630 N.ar 1 UNL1 -0.3058 8 N -1.4264 -1.4893 0.0391 N.ar 1 UNL1 -0.3060 9 N -3.8708 -1.7864 0.0540 N.ar 1 UNL1 -0.3344 10 N -5.3778 0.0390 0.0013 N.pl3 1 UNL1 -0.0702 11 C 0.6551 0.7897 -0.0216 C.3 1 UNL1 0.0363 12 C 1.7142 1.8119 0.0201 C.2 1 UNL1 0.3063 13 C 3.0071 0.9577 0.0437 C.2 1 UNL1 0.3222 14 C 2.5070 -0.4164 -0.0024 C.3 1 UNL1 -0.1375 15 C -1.6343 -0.1725 -0.0008 C.ar 1 UNL1 0.1443 16 C 3.2482 -1.6802 -0.0311 C.2 1 UNL1 0.4737 17 C -1.4987 2.0368 -0.0676 C.ar 1 UNL1 0.4371 18 C -2.9636 0.4893 -0.0211 C.ar 1 UNL1 0.0346 19 C -4.1805 -0.3254 0.0085 C.ar 1 UNL1 0.2011 20 C -2.6649 -2.0979 0.0601 C.ar 1 UNL1 0.3338 @BOND 1 5 16 ar 2 17 7 ar 3 17 6 ar 4 7 18 ar 5 6 11 1 6 6 15 ar 7 1 11 1 8 1 14 1 9 16 4 ar 10 16 14 1 11 11 12 1 12 18 15 ar 13 18 19 ar 14 14 13 1 15 15 8 ar 16 10 19 1 17 19 9 ar 18 12 2 2 19 12 13 1 20 8 20 ar 21 13 3 2 22 9 20 ar