@MOLECULE 1-[2,5-dideoxy-5-(1-pyrrolidinyl)-beta-l-erythro-pentofuranosyl]-5-methyl-2,4(1h,3h)-pyrimidinedione 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6372 -1.5466 1.0476 C.3 1 UNL11111111 -0.1123 2 C -2.9333 -2.8365 0.5646 C.3 1 UNL11111111 -0.2994 3 C -2.5215 -2.5462 -0.8891 C.3 1 UNL11111111 -0.3000 4 C -2.8893 -1.0619 -1.1321 C.3 1 UNL11111111 -0.1201 5 N -3.1865 -0.4269 0.1775 N.3 1 UNL11111111 -0.4056 6 C -2.0292 0.2805 0.7726 C.3 1 UNL11111111 -0.1714 7 C -1.6969 1.5247 -0.0632 C.3 1 UNL11111111 0.0892 8 O -0.7850 1.1634 -1.1064 O.3 1 UNL11111111 -0.4379 9 C -1.0154 2.6374 0.7637 C.3 1 UNL11111111 0.1137 10 O -1.8044 3.7851 0.5372 O.3 1 UNL11111111 -0.5462 11 C 0.3856 2.8020 0.1547 C.3 1 UNL11111111 -0.3932 12 C 0.4932 1.6992 -0.9083 C.3 1 UNL11111111 0.3442 13 N 1.3880 0.5784 -0.4777 N.am 1 UNL11111111 -0.5091 14 C 0.9575 -0.7359 -0.5220 C.2 1 UNL11111111 0.1162 15 C 1.7476 -1.7601 -0.1079 C.2 1 UNL11111111 -0.2497 16 C 1.2871 -3.1703 -0.1381 C.3 1 UNL11111111 -0.4097 17 C 3.1018 -1.5101 0.3668 C.2 1 UNL11111111 0.6116 18 O 3.9055 -2.3093 0.7854 O.2 1 UNL11111111 -0.4799 19 N 3.5200 -0.1494 0.3114 N.am 1 UNL11111111 -0.6248 20 C 2.7128 0.9018 -0.1189 C.2 1 UNL11111111 0.7041 21 O 3.1181 2.0454 -0.1750 O.2 1 UNL11111111 -0.5296 22 H -4.7382 -1.6259 0.9148 H 1 UNL11111111 0.1473 23 H -3.4570 -1.3440 2.1164 H 1 UNL11111111 0.1299 24 H -2.0562 -3.0660 1.1899 H 1 UNL11111111 0.1370 25 H -3.6006 -3.7076 0.6347 H 1 UNL11111111 0.1404 26 H -1.4478 -2.7281 -1.0478 H 1 UNL11111111 0.1353 27 H -3.0501 -3.2017 -1.5980 H 1 UNL11111111 0.1414 28 H -2.1088 -0.5227 -1.6962 H 1 UNL11111111 0.1471 29 H -3.8215 -0.9844 -1.7341 H 1 UNL11111111 0.1471 30 H -2.3354 0.6015 1.7965 H 1 UNL11111111 0.1512 31 H -1.1327 -0.3620 0.8953 H 1 UNL11111111 0.1356 32 H -2.5912 1.9083 -0.6147 H 1 UNL11111111 0.1902 33 H -0.9924 2.4341 1.8522 H 1 UNL11111111 0.1272 34 H -1.4689 4.5485 1.0466 H 1 UNL11111111 0.3189 35 H 0.4954 3.7984 -0.3177 H 1 UNL11111111 0.1835 36 H 1.1844 2.7551 0.9156 H 1 UNL11111111 0.1871 37 H 0.8308 2.0459 -1.9168 H 1 UNL11111111 0.1629 38 H -0.0601 -0.9048 -0.9119 H 1 UNL11111111 0.1953 39 H 1.2321 -3.5578 -1.1670 H 1 UNL11111111 0.1582 40 H 1.9779 -3.8372 0.4097 H 1 UNL11111111 0.1819 41 H 0.2976 -3.2963 0.3226 H 1 UNL11111111 0.1471 42 H 4.4760 0.0787 0.5963 H 1 UNL11111111 0.3451 @BOND 1 37 12 1 2 29 4 1 3 28 4 1 4 27 3 1 5 39 16 1 6 4 3 1 7 4 5 1 8 8 12 1 9 8 7 1 10 26 3 1 11 38 14 1 12 12 13 1 13 12 11 1 14 3 2 1 15 32 7 1 16 14 13 1 17 14 15 2 18 13 20 am 19 35 11 1 20 21 20 2 21 16 15 1 22 16 41 1 23 16 40 1 24 20 19 am 25 15 17 1 26 7 9 1 27 7 6 1 28 11 9 1 29 11 36 1 30 5 6 1 31 5 1 1 32 19 17 am 33 19 42 1 34 17 18 2 35 10 9 1 36 10 34 1 37 2 25 1 38 2 1 1 39 2 24 1 40 9 33 1 41 6 31 1 42 6 30 1 43 22 1 1 44 1 23 1