@MOLECULE 1-{5-o-[(4-chlorophenoxy)(hydroxy)phosphoryl]-2,3-o-(methoxymethylene)-d-ribofuranosyl}-2,4(1h,3h)-pyrimidinedione 49 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -2.1025 3.1951 0.4918 Cl 1 UNL1 -0.0892 2 P 4.0379 0.2038 -0.3222 P.3 1 UNL1 0.3689 3 O 0.4412 -0.4971 0.6885 O.3 1 UNL1 -0.4134 4 O 0.2430 -3.8282 0.0580 O.3 1 UNL1 -0.4185 5 O -1.2087 -2.6425 -1.2313 O.3 1 UNL1 -0.4280 6 O 3.1092 -1.0477 -0.0392 O.3 1 UNL1 -0.2208 7 O -1.7211 -3.1858 0.9481 O.3 1 UNL1 -0.4579 8 O -1.6636 0.8490 -2.4100 O.2 1 UNL1 -0.5282 9 O 3.4662 1.5540 0.3579 O.3 1 UNL1 -0.3385 10 O 5.2562 0.0050 0.6838 O.3 1 UNL1 -0.3153 11 O 4.2977 0.2668 -1.7435 O.2 1 UNL1 -0.2012 12 O -5.4087 1.0911 0.1353 O.2 1 UNL1 -0.4864 13 N -1.5949 -0.1082 -0.3340 N.ar 1 UNL1 -0.4638 14 N -3.5769 0.9395 -1.1557 N.ar 1 UNL1 -0.6145 15 C 0.9421 -2.6392 -0.2837 C.3 1 UNL1 0.0442 16 C -0.0195 -1.8775 -1.2280 C.3 1 UNL1 0.0242 17 C 1.1010 -1.7354 0.9478 C.3 1 UNL1 0.0346 18 C -0.1940 -0.4844 -0.5735 C.3 1 UNL1 0.2603 19 C -1.1219 -3.6456 -0.2360 C.3 1 UNL1 0.4875 20 C 2.5658 -1.3815 1.2541 C.3 1 UNL1 -0.0617 21 C -2.2525 0.5885 -1.3803 C.ar 1 UNL1 0.7099 22 C -2.2153 -0.3704 0.8701 C.ar 1 UNL1 0.2084 23 C -3.4967 0.0222 1.0921 C.ar 1 UNL1 -0.4734 24 C -3.1238 -3.3937 0.9866 C.3 1 UNL1 -0.1770 25 C -4.2643 0.7076 0.0762 C.ar 1 UNL1 0.6364 26 C 2.1460 1.9237 0.3195 C.ar 1 UNL1 0.2939 27 C 1.5531 2.4471 -0.8354 C.ar 1 UNL1 -0.2351 28 C 1.4779 1.9045 1.5560 C.ar 1 UNL1 -0.2163 29 C 0.2335 2.8884 -0.7678 C.ar 1 UNL1 -0.1181 30 C 0.1636 2.3508 1.6138 C.ar 1 UNL1 -0.1194 31 C -0.4393 2.7998 0.4436 C.ar 1 UNL1 -0.0443 32 H 1.8901 -2.9888 -0.7349 H 1 UNL1 0.1830 33 H 0.2865 -1.8110 -2.2901 H 1 UNL1 0.1795 34 H 0.5934 -2.1711 1.8401 H 1 UNL1 0.1659 35 H 0.3102 0.3284 -1.1717 H 1 UNL1 0.1937 36 H -1.5480 -4.5817 -0.6303 H 1 UNL1 0.1485 37 H 2.6177 -0.6020 2.0380 H 1 UNL1 0.1518 38 H 3.1307 -2.2746 1.5964 H 1 UNL1 0.1430 39 H -1.6140 -0.9058 1.6236 H 1 UNL1 0.1921 40 H -4.0623 1.4499 -1.8973 H 1 UNL1 0.3462 41 H -3.9988 -0.1473 2.0398 H 1 UNL1 0.2009 42 H -3.4139 -2.9601 1.9532 H 1 UNL1 0.1536 43 H -3.6167 -2.8580 0.1660 H 1 UNL1 0.1451 44 H -3.3582 -4.4622 0.9652 H 1 UNL1 0.1258 45 H 5.7162 0.9162 0.8245 H 1 UNL1 0.3231 46 H 2.1011 2.5032 -1.7761 H 1 UNL1 0.1857 47 H 1.9812 1.5375 2.4460 H 1 UNL1 0.1656 48 H -0.2635 3.2688 -1.6635 H 1 UNL1 0.1820 49 H -0.3843 2.3292 2.5558 H 1 UNL1 0.1674 @BOND 1 8 21 2 2 33 16 1 3 40 14 1 4 46 27 1 5 11 2 2 6 48 29 1 7 21 14 ar 8 21 13 ar 9 5 16 1 10 5 19 1 11 16 18 1 12 16 15 1 13 35 18 1 14 14 25 ar 15 27 29 ar 16 27 26 ar 17 29 31 ar 18 32 15 1 19 36 19 1 20 18 13 1 21 18 3 1 22 13 22 ar 23 2 6 1 24 2 9 1 25 2 10 1 26 15 4 1 27 15 17 1 28 19 4 1 29 19 7 1 30 6 20 1 31 25 12 2 32 25 23 ar 33 43 24 1 34 26 9 1 35 26 28 ar 36 31 1 1 37 31 30 ar 38 10 45 1 39 3 17 1 40 22 23 ar 41 22 39 1 42 17 20 1 43 17 34 1 44 7 24 1 45 44 24 1 46 24 42 1 47 23 41 1 48 20 38 1 49 20 37 1 50 28 30 ar 51 28 47 1 52 30 49 1