@MOLECULE 6-amino-9-(alpha-d-arabinofuranosyl)-1,9-dihydro-2h-purin-2-one 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 2.0729 -1.0467 -0.1359 O.2 1 UNL1 -0.1344 2 O2* 1.0969 2.0690 1.1852 O.2 1 UNL1 -0.1780 3 O3* 3.9666 1.9108 0.3534 O.2 1 UNL1 -0.3219 4 O5* 5.3046 -1.4759 -1.0295 O.2 1 UNL1 -0.1339 5 O -3.1984 2.7285 -0.8276 O.2 1 UNL1 -0.2532 6 N -0.0820 -0.6600 0.0893 N.pl3 1 UNL1 -0.5120 7 N -1.9710 -2.3727 0.4040 N.2 1 UNL1 -0.5269 8 N -1.5774 1.1800 -0.2805 N.2 1 UNL1 -0.5023 9 N -3.9973 0.6460 -0.3264 N.am 1 UNL1 -0.3925 10 N -4.7870 -1.4900 0.0448 N.pl3 1 UNL1 -0.0435 11 C2* 1.6654 1.1750 0.6574 C.2 1 UNL1 0.2656 12 C1* 1.0812 -0.1461 0.1982 C.3 1 UNL1 0.3484 13 C3* 3.1526 1.0398 0.3020 C.2 1 UNL1 0.3923 14 C4* 3.2897 -0.3315 -0.1478 C.2 1 UNL1 -0.3579 15 C5* 4.3569 -0.9551 -0.6379 C.1 1 UNL1 0.5372 16 C -1.3390 -0.0692 0.0052 C.2 1 UNL1 0.3790 17 C -0.9866 -3.0070 0.7566 C.3 1 UNL1 0.5085 18 C -2.3702 -1.1224 0.1210 C.2 1 UNL1 0.0741 19 C -3.7545 -0.6233 -0.0611 C.2 1 UNL1 0.2362 20 C -2.9295 1.6090 -0.5083 C.1 1 UNL1 0.6153 @BOND 1 4 15 2 2 5 20 2 3 15 14 2 4 20 9 1 5 20 8 2 6 9 19 2 7 8 16 2 8 14 1 1 9 14 13 1 10 1 12 1 11 19 10 1 12 19 18 1 13 16 6 1 14 16 18 1 15 6 12 1 16 18 7 2 17 12 11 1 18 13 3 2 19 13 11 1 20 7 17 1 21 11 2 2