@MOLECULE 2-amino-9-(alpha-l-ribofuranosyl)-7,9-dihydro-3h-purine-6,8-dione 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.5042 0.7318 -1.0793 O.3 1 UNL1 -0.4209 2 O2* 1.2242 0.4904 2.4232 O.3 1 UNL1 -0.5144 3 O3* 1.9663 -1.6059 1.1156 O.3 1 UNL1 -0.5894 4 O5* 4.7311 -0.8534 -1.1799 O.3 1 UNL1 -0.5338 5 O -0.8422 3.5584 -0.0646 O.2 1 UNL1 -0.4819 6 O -4.5832 -0.3147 -0.6440 O.2 1 UNL1 -0.4199 7 N -0.3105 1.2878 0.2452 N.ar 1 UNL1 -0.5002 8 N -2.4602 1.8701 -0.2742 N.ar 1 UNL1 -0.4442 9 N -0.6812 -1.1935 0.2734 N.ar 1 UNL1 -0.5452 10 N -2.9558 -1.8671 -0.2293 N.ar 1 UNL1 -0.6100 11 N -1.2726 -3.4693 0.0536 N.pl3 1 UNL1 -0.6075 12 C1* 1.1273 1.4241 0.0939 C.3 1 UNL1 0.2508 13 C2* 1.9495 0.8326 1.2811 C.3 1 UNL1 0.0315 14 C3* 2.6336 -0.4322 0.6906 C.3 1 UNL1 0.0624 15 C4* 2.4141 -0.3324 -0.8237 C.3 1 UNL1 0.0236 16 C5* 3.7110 0.0340 -1.5700 C.3 1 UNL1 -0.0310 17 C -1.0717 0.1162 0.0777 C.ar 1 UNL1 0.2835 18 C -1.1914 2.4070 -0.0659 C.ar 1 UNL1 0.6651 19 C -2.3867 0.4689 -0.2059 C.ar 1 UNL1 -0.1853 20 C -3.4298 -0.5462 -0.3888 C.ar 1 UNL1 0.6221 21 C -1.6998 -2.1534 0.0281 C.ar 1 UNL1 0.5883 22 H1* 1.3663 2.5072 -0.1042 H 1 UNL1 0.1912 23 H2* 2.6917 1.5717 1.6597 H 1 UNL1 0.1711 24 H3* 3.7020 -0.5332 0.9797 H 1 UNL1 0.1714 25 H4* 1.9362 -1.2440 -1.2440 H 1 UNL1 0.1583 26 H5*1 4.0974 1.0271 -1.2707 H 1 UNL1 0.1577 27 H5*2 3.5685 0.0200 -2.6643 H 1 UNL1 0.1372 28 H2* 0.2878 0.2808 2.2023 H 1 UNL1 0.3368 29 H3* 1.8811 -1.5964 2.1023 H 1 UNL1 0.3554 30 H -3.2877 2.3789 -0.5192 H 1 UNL1 0.3583 31 H 0.3075 -1.4395 0.3730 H 1 UNL1 0.3603 32 H5* 4.5819 -1.7466 -1.5531 H 1 UNL1 0.3183 33 H -1.9853 -4.1840 0.0171 H 1 UNL1 0.3342 34 H -0.4211 -3.7054 0.5203 H 1 UNL1 0.3061 @BOND 1 27 16 1 2 16 26 1 3 16 4 1 4 16 15 1 5 32 4 1 6 25 15 1 7 1 15 1 8 1 12 1 9 15 14 1 10 6 20 2 11 30 8 1 12 20 10 ar 13 20 19 ar 14 8 19 ar 15 8 18 ar 16 10 21 ar 17 19 17 ar 18 22 12 1 19 18 5 2 20 18 7 ar 21 33 11 1 22 21 11 1 23 21 9 ar 24 11 34 1 25 17 7 ar 26 17 9 ar 27 12 7 1 28 12 13 1 29 9 31 1 30 14 24 1 31 14 3 1 32 14 13 1 33 3 29 1 34 13 23 1 35 13 2 1 36 28 2 1