@MOLECULE 1-[(4xi)-5-deoxy-d-threo-pentofuranosyl]-2,4(1h,3h)-pyrimidinedione 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.6282 0.7491 0.0535 N.ar 1 UNL1 -0.4807 2 C 0.9303 -0.5207 0.5914 C.ar 1 UNL1 0.7327 3 N 2.2679 -0.9024 0.6192 N.ar 1 UNL1 -0.6194 4 C 3.3328 -0.1459 0.0414 C.ar 1 UNL1 0.6190 5 C 2.9223 1.1045 -0.5684 C.ar 1 UNL1 -0.4177 6 C 1.6272 1.4948 -0.5715 C.ar 1 UNL1 0.1687 7 O 0.0819 -1.2553 1.0660 O.2 1 UNL1 -0.5820 8 O 4.4408 -0.6158 0.1160 O.2 1 UNL1 -0.4581 9 C -0.7707 1.1797 -0.1905 C.3 1 UNL1 0.2747 10 C -1.7892 0.7215 0.8783 C.3 1 UNL1 0.0402 11 O -2.5272 1.8919 1.1553 O.3 1 UNL1 -0.5545 12 C -2.6785 -0.3255 0.1589 C.3 1 UNL1 0.0681 13 C -2.1703 -0.3528 -1.3059 C.3 1 UNL1 0.0944 14 O -2.5846 -1.5687 0.7816 O.3 1 UNL1 -0.5414 15 O -1.1590 0.6574 -1.4279 O.3 1 UNL1 -0.4333 16 C -1.5805 -1.6820 -1.7325 C.3 1 UNL1 -0.4742 17 H 2.4879 -1.8089 1.0445 H 1 UNL1 0.3491 18 H 3.7140 1.6978 -1.0228 H 1 UNL1 0.2061 19 H 1.2975 2.4307 -1.0472 H 1 UNL1 0.1778 20 H -0.7824 2.2967 -0.3195 H 1 UNL1 0.1746 21 H -1.3413 0.3366 1.8177 H 1 UNL1 0.1712 22 H -3.1470 1.7390 1.8995 H 1 UNL1 0.3332 23 H -3.7595 -0.0799 0.2254 H 1 UNL1 0.1606 24 H -2.9502 0.0007 -2.0171 H 1 UNL1 0.1432 25 H -1.6350 -1.8018 0.9221 H 1 UNL1 0.3533 26 H -2.3171 -2.4917 -1.6242 H 1 UNL1 0.1719 27 H -1.2523 -1.6530 -2.7790 H 1 UNL1 0.1581 28 H -0.7067 -1.9598 -1.1283 H 1 UNL1 0.1644 @BOND 1 27 16 1 2 24 13 1 3 16 26 1 4 16 13 1 5 16 28 1 6 15 13 1 7 15 9 1 8 13 12 1 9 19 6 1 10 18 5 1 11 6 5 ar 12 6 1 ar 13 5 4 ar 14 20 9 1 15 9 1 1 16 9 10 1 17 4 8 2 18 4 3 ar 19 1 2 ar 20 12 23 1 21 12 14 1 22 12 10 1 23 2 3 ar 24 2 7 2 25 3 17 1 26 14 25 1 27 10 11 1 28 10 21 1 29 11 22 1