@MOLECULE 7-(alpha-d-ribofuranosyl)-1,7-dihydro-6h-purin-6-one 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.6970 -0.8767 -0.5935 O.3 1 UNL1 -0.4031 2 O2* 0.6378 0.9785 2.2658 O.3 1 UNL1 -0.5139 3 O3* 2.3184 2.0658 0.5716 O.3 1 UNL1 -0.5528 4 O5* 4.2806 -1.3665 -1.7561 O.3 1 UNL1 -0.5249 5 O -1.9487 -2.2247 1.0275 O.2 1 UNL1 -0.4389 6 N -0.3452 0.1367 -0.1931 N.ar 1 UNL1 -0.2877 7 N -1.4411 1.7991 -1.2748 N.ar 1 UNL1 -0.4295 8 N -3.7390 0.9081 -0.9123 N.ar 1 UNL1 -0.4599 9 N -3.8466 -1.1657 0.2823 N.ar 1 UNL1 -0.5254 10 C2* 1.4112 0.0401 1.5834 C.3 1 UNL1 0.0359 11 C1* 0.7157 -0.6837 0.3876 C.3 1 UNL1 0.2301 12 C3* 2.6324 0.7376 0.9179 C.3 1 UNL1 0.0562 13 C4* 2.8211 -0.0014 -0.4151 C.3 1 UNL1 0.0201 14 C5* 4.0515 -0.9150 -0.4416 C.3 1 UNL1 -0.0317 15 C -1.7020 -0.1741 -0.1289 C.ar 1 UNL1 -0.2512 16 C -0.2288 1.3287 -0.9022 C.ar 1 UNL1 0.1634 17 C -2.3627 0.8781 -0.8048 C.ar 1 UNL1 0.2566 18 C -2.4421 -1.2869 0.4523 C.ar 1 UNL1 0.6077 19 C -4.4172 -0.1747 -0.3339 C.ar 1 UNL1 0.3079 20 H1* 0.3146 -1.7076 0.6260 H 1 UNL1 0.2064 21 H2* 1.7095 -0.6840 2.3737 H 1 UNL1 0.1717 22 H3* 3.5282 0.7483 1.5674 H 1 UNL1 0.1433 23 H4* 2.8102 0.6924 -1.2881 H 1 UNL1 0.1778 24 H5*1 3.9360 -1.7866 0.2287 H 1 UNL1 0.1326 25 H5*2 4.9801 -0.3661 -0.1932 H 1 UNL1 0.1511 26 H2* -0.0912 1.3257 1.7029 H 1 UNL1 0.3317 27 H 0.7196 1.8144 -1.1166 H 1 UNL1 0.2240 28 H3* 1.9745 2.5490 1.3605 H 1 UNL1 0.3427 29 H5* 3.4810 -1.8307 -2.0920 H 1 UNL1 0.3255 30 H -4.1958 1.6676 -1.3973 H 1 UNL1 0.3396 31 H -5.5182 -0.1491 -0.4246 H 1 UNL1 0.1947 @BOND 1 29 4 1 2 4 14 1 3 30 8 1 4 23 13 1 5 7 16 ar 6 7 17 ar 7 27 16 1 8 8 17 ar 9 8 19 ar 10 16 6 ar 11 17 15 ar 12 1 13 1 13 1 11 1 14 14 13 1 15 14 25 1 16 14 24 1 17 31 19 1 18 13 12 1 19 19 9 ar 20 6 15 ar 21 6 11 1 22 15 18 ar 23 9 18 ar 24 11 20 1 25 11 10 1 26 18 5 2 27 3 12 1 28 3 28 1 29 12 22 1 30 12 10 1 31 10 2 1 32 10 21 1 33 26 2 1