@MOLECULE 1-(2-deoxy-alpha-d-threo-pentofuranosyl)-5-fluoro-2,4(1h,3h)-pyrimidinedione 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -2.6395 2.4523 0.4340 F 1 UNL1 -0.0982 2 O4* 1.5288 0.4104 -0.8239 O.3 1 UNL1 -0.4342 3 O3* 3.6640 -1.2822 1.0525 O.3 1 UNL1 -0.5564 4 O5* 3.7114 2.2971 -0.6062 O.3 1 UNL1 -0.5399 5 O -1.2447 -2.5654 -0.6926 O.2 1 UNL1 -0.5148 6 O -4.4916 0.3839 0.5002 O.2 1 UNL1 -0.4234 7 N -0.6246 -0.3877 -0.4133 N.ar 1 UNL1 -0.5042 8 N -2.8922 -1.0967 -0.0962 N.ar 1 UNL1 -0.6204 9 C3* 2.3430 -0.7912 1.0904 C.3 1 UNL1 0.1201 10 C1* 0.7773 -0.7669 -0.7785 C.3 1 UNL1 0.3465 11 C2* 1.4014 -1.6927 0.2755 C.3 1 UNL1 -0.3979 12 C4* 2.3586 0.5579 0.3393 C.3 1 UNL1 0.0407 13 C5* 3.7405 0.9506 -0.1908 C.3 1 UNL1 -0.0093 14 C -1.5781 -1.4305 -0.4225 C.ar 1 UNL1 0.6987 15 C -0.9793 0.9221 -0.1505 C.ar 1 UNL1 0.1036 16 C -2.2682 1.2138 0.1647 C.ar 1 UNL1 -0.1248 17 C -3.3321 0.2185 0.2235 C.ar 1 UNL1 0.5809 18 H3* 2.0361 -0.6845 2.1507 H 1 UNL1 0.1317 19 H1* 0.7706 -1.1682 -1.8227 H 1 UNL1 0.1692 20 H2*1 1.9685 -2.5071 -0.2188 H 1 UNL1 0.1856 21 H2*2 0.6483 -2.2041 0.8996 H 1 UNL1 0.1844 22 H4* 1.9028 1.3802 0.9314 H 1 UNL1 0.1521 23 H5*1 4.0654 0.3001 -1.0221 H 1 UNL1 0.1414 24 H5*2 4.5074 0.9372 0.6094 H 1 UNL1 0.1649 25 H3* 3.7416 -2.1239 1.5449 H 1 UNL1 0.3275 26 H -0.1874 1.6850 -0.2148 H 1 UNL1 0.2068 27 H -3.5826 -1.8537 -0.0986 H 1 UNL1 0.3501 28 H5* 3.1162 2.4011 -1.3782 H 1 UNL1 0.3195 @BOND 1 19 10 1 2 28 4 1 3 23 13 1 4 2 10 1 5 2 12 1 6 10 7 1 7 10 11 1 8 5 14 2 9 4 13 1 10 14 7 ar 11 14 8 ar 12 7 15 ar 13 20 11 1 14 26 15 1 15 13 12 1 16 13 24 1 17 15 16 ar 18 27 8 1 19 8 17 ar 20 16 17 ar 21 16 1 1 22 17 6 2 23 11 21 1 24 11 9 1 25 12 22 1 26 12 9 1 27 3 9 1 28 3 25 1 29 9 18 1