@MOLECULE 6-amino-3-pentofuranosyl-2,4(1h,3h)-pyrimidinedione 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -1.1289 0.3548 0.9878 O.3 1 UNL1 -0.4416 2 O2* -1.5839 -2.7777 -0.3856 O.3 1 UNL1 -0.5279 3 O3* -3.0030 -0.2020 -1.9139 O.3 1 UNL1 -0.5262 4 O5* -2.8634 2.5804 1.4829 O.3 1 UNL1 -0.5346 5 O 0.2174 0.8105 -1.6381 O.2 1 UNL1 -0.4984 6 O 1.6949 -1.6459 1.9273 O.2 1 UNL1 -0.4920 7 N 0.8999 -0.4448 0.1790 N.ar 1 UNL1 -0.5833 8 N 2.3926 0.9599 -1.0747 N.ar 1 UNL1 -0.5935 9 N 4.6843 1.1347 -0.5634 N.pl3 1 UNL1 -0.6338 10 C2* -1.3128 -1.4254 -0.6037 C.3 1 UNL1 0.0372 11 C3* -2.6077 -0.5755 -0.6195 C.3 1 UNL1 0.0555 12 C1* -0.4720 -0.8160 0.5535 C.3 1 UNL1 0.2590 13 C4* -2.1932 0.7217 0.1007 C.3 1 UNL1 0.0358 14 C5* -3.2703 1.3142 1.0088 C.3 1 UNL1 -0.0275 15 C 1.0789 0.4512 -0.8665 C.ar 1 UNL1 0.7255 16 C 1.9785 -0.8641 1.0515 C.ar 1 UNL1 0.6669 17 C 3.2673 -0.3081 0.7648 C.ar 1 UNL1 -0.5863 18 C 3.4601 0.5830 -0.2625 C.ar 1 UNL1 0.5304 19 H2* -0.7909 -1.4261 -1.5866 H 1 UNL1 0.1867 20 H3* -3.4580 -1.1039 -0.1414 H 1 UNL1 0.1358 21 H1* -0.4309 -1.4843 1.4582 H 1 UNL1 0.1892 22 H4* -1.7935 1.4758 -0.6197 H 1 UNL1 0.1867 23 H5*1 -3.4861 0.6680 1.8793 H 1 UNL1 0.1292 24 H5*2 -4.2015 1.5287 0.4494 H 1 UNL1 0.1546 25 H2* -1.9536 -2.9453 0.5070 H 1 UNL1 0.3180 26 H3* -2.9859 -0.9751 -2.5181 H 1 UNL1 0.3247 27 H 2.5109 1.5988 -1.8570 H 1 UNL1 0.3384 28 H 4.0745 -0.6300 1.4143 H 1 UNL1 0.2098 29 H5* -1.9376 2.5271 1.8064 H 1 UNL1 0.3235 30 H 4.8018 1.8299 -1.2666 H 1 UNL1 0.3112 31 H 5.4760 0.9291 0.0134 H 1 UNL1 0.3269 @BOND 1 26 3 1 2 3 11 1 3 27 8 1 4 5 15 2 5 19 10 1 6 30 9 1 7 8 15 ar 8 8 18 ar 9 15 7 ar 10 22 13 1 11 11 10 1 12 11 20 1 13 11 13 1 14 10 2 1 15 10 12 1 16 9 18 1 17 9 31 1 18 2 25 1 19 18 17 ar 20 13 1 1 21 13 14 1 22 7 12 1 23 7 16 ar 24 24 14 1 25 12 1 1 26 12 21 1 27 17 16 ar 28 17 28 1 29 14 4 1 30 14 23 1 31 16 6 2 32 4 29 1