@MOLECULE 1-(3-bromo-3-deoxy-beta-d-arabinofuranosyl)-2,4(1h,3h)-pyrimidinedione 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -2.7807 1.5006 0.3392 Br 1 UNL1 -0.0745 2 O -0.2943 -1.3682 0.6238 O.3 1 UNL1 -0.4381 3 O -0.6488 0.1779 -2.4581 O.3 1 UNL1 -0.5383 4 O -2.0370 -3.5127 0.9770 O.3 1 UNL1 -0.5198 5 O 2.3931 -0.3878 -2.1783 O.2 1 UNL1 -0.5423 6 O 5.3589 0.8739 1.0158 O.2 1 UNL1 -0.4566 7 N 1.6522 -0.2910 -0.0233 N.ar 1 UNL1 -0.4912 8 N 3.9160 0.2224 -0.5772 N.ar 1 UNL1 -0.6125 9 C -0.5595 0.3068 -1.0634 C.3 1 UNL1 0.0839 10 C 0.3660 -0.8180 -0.4976 C.3 1 UNL1 0.2418 11 C -1.9457 -0.0455 -0.5084 C.3 1 UNL1 -0.1843 12 C -1.7083 -1.1810 0.4933 C.3 1 UNL1 0.0580 13 C -2.2846 -2.5233 0.0060 C.3 1 UNL1 -0.0448 14 C 2.6637 -0.1705 -1.0131 C.ar 1 UNL1 0.7092 15 C 1.8888 -0.0013 1.3096 C.ar 1 UNL1 0.1877 16 C 3.1164 0.4070 1.7137 C.ar 1 UNL1 -0.4334 17 C 4.2241 0.5359 0.7871 C.ar 1 UNL1 0.6217 18 H -0.1972 1.3270 -0.8167 H 1 UNL1 0.1605 19 H 0.5405 -1.6369 -1.2464 H 1 UNL1 0.1795 20 H -2.6311 -0.3351 -1.3388 H 1 UNL1 0.2010 21 H -2.0287 -0.9722 1.5390 H 1 UNL1 0.1760 22 H -1.8482 -2.8410 -0.9583 H 1 UNL1 0.1364 23 H -3.3883 -2.4996 -0.0695 H 1 UNL1 0.1554 24 H 0.2632 0.1794 -2.8516 H 1 UNL1 0.3523 25 H 1.0340 -0.1138 1.9938 H 1 UNL1 0.1916 26 H 4.6561 0.3106 -1.2800 H 1 UNL1 0.3496 27 H 3.3338 0.6521 2.7504 H 1 UNL1 0.2072 28 H -1.0719 -3.5528 1.1690 H 1 UNL1 0.3238 @BOND 1 24 3 1 2 3 9 1 3 5 14 2 4 20 11 1 5 26 8 1 6 19 10 1 7 9 18 1 8 9 11 1 9 9 10 1 10 14 8 ar 11 14 7 ar 12 22 13 1 13 8 17 ar 14 11 1 1 15 11 12 1 16 10 7 1 17 10 2 1 18 23 13 1 19 7 15 ar 20 13 12 1 21 13 4 1 22 12 2 1 23 12 21 1 24 17 6 2 25 17 16 ar 26 4 28 1 27 15 16 ar 28 15 25 1 29 16 27 1