@MOLECULE 5-[(formyloxy)methyl]-1-pentofuranosyl-2,4(1h,3h)-pyrimidinedione 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.7765 0.4920 0.8974 O.3 1 UNL1 -0.4409 2 O2* 2.1586 0.2965 -2.5269 O.3 1 UNL1 -0.4960 3 O3* 2.0488 -2.5029 -0.5285 O.3 1 UNL1 -0.5291 4 O5* 4.1211 0.8405 2.1301 O.3 1 UNL1 -0.5231 5 O -0.2372 3.1370 -0.8820 O.2 1 UNL1 -0.4857 6 O -3.2596 -2.1266 0.1581 O.3 1 UNL1 -0.4042 7 O -4.1844 1.3152 0.4228 O.2 1 UNL1 -0.4684 8 O -1.0978 -2.5827 -0.2673 O.2 1 UNL1 -0.5971 9 N -0.2080 0.9800 -0.1086 N.ar 1 UNL1 -0.4718 10 N -2.2402 2.2219 -0.2508 N.ar 1 UNL1 -0.6212 11 C2* 1.5800 -0.2441 -1.3809 C.3 1 UNL1 0.0231 12 C3* 2.5383 -1.2017 -0.6328 C.3 1 UNL1 0.0545 13 C1* 1.2337 0.8737 -0.3528 C.3 1 UNL1 0.2364 14 C4* 2.7223 -0.5678 0.7586 C.3 1 UNL1 0.0042 15 C5* 4.1078 0.0669 0.9524 C.3 1 UNL1 -0.0373 16 C -0.8702 -0.0563 0.5081 C.ar 1 UNL1 0.2158 17 C -0.8637 2.1990 -0.4446 C.ar 1 UNL1 0.7058 18 C -2.2214 -0.0232 0.6805 C.ar 1 UNL1 -0.3792 19 C -2.9957 1.1434 0.3023 C.ar 1 UNL1 0.6242 20 C -2.9518 -1.2004 1.2128 C.3 1 UNL1 0.0357 21 C -2.2728 -2.7365 -0.5036 C.2 1 UNL1 0.5506 22 H2* 0.6848 -0.7717 -1.7857 H 1 UNL1 0.1865 23 H3* 3.4933 -1.3531 -1.1869 H 1 UNL1 0.1719 24 H1* 1.6589 1.8744 -0.6293 H 1 UNL1 0.1891 25 H4* 2.4725 -1.2661 1.5859 H 1 UNL1 0.1743 26 H5*1 4.3942 0.7155 0.1060 H 1 UNL1 0.1186 27 H5*2 4.8926 -0.6941 1.1237 H 1 UNL1 0.1527 28 H2* 2.9786 0.7990 -2.3270 H 1 UNL1 0.3130 29 H3* 1.0813 -2.5340 -0.3376 H 1 UNL1 0.3419 30 H -0.2491 -0.9091 0.8398 H 1 UNL1 0.2020 31 H -2.7372 3.0821 -0.5032 H 1 UNL1 0.3503 32 H5* 3.3140 1.4048 2.1629 H 1 UNL1 0.3286 33 H -3.9765 -0.9490 1.5709 H 1 UNL1 0.1775 34 H -2.3971 -1.7448 2.0031 H 1 UNL1 0.1401 35 H -2.7116 -3.3797 -1.2699 H 1 UNL1 0.1574 @BOND 1 2 28 1 2 2 11 1 3 22 11 1 4 11 12 1 5 11 13 1 6 35 21 1 7 23 12 1 8 5 17 2 9 12 3 1 10 12 14 1 11 24 13 1 12 3 29 1 13 21 8 2 14 21 6 1 15 31 10 1 16 17 10 ar 17 17 9 ar 18 13 9 1 19 13 1 1 20 10 19 ar 21 9 16 ar 22 26 15 1 23 6 20 1 24 19 7 2 25 19 18 ar 26 16 18 ar 27 16 30 1 28 18 20 1 29 14 1 1 30 14 15 1 31 14 25 1 32 15 27 1 33 15 4 1 34 20 33 1 35 20 34 1 36 4 32 1