@MOLECULE 1-[2-deoxy-5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-d-erythro-pentofuranosyl]-5,6-dihydroxy-5-methyldihydro-2,4(1h,3h)-pyrimidinedione 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 P -2.8285 -1.8567 0.4457 P.3 1 UNL1111111111 0.3598 2 P -2.2334 0.4502 -1.4847 P.3 1 UNL1111111111 0.4057 3 P -2.5116 2.6491 0.6735 P.3 1 UNL1111111111 0.4066 4 O 0.4319 -1.2332 -0.4096 O.3 1 UNL1111111111 -0.3736 5 O 2.5434 -3.3022 0.9824 O.3 1 UNL1111111111 -0.5759 6 O 2.3004 0.5701 -1.8191 O.3 1 UNL1111111111 -0.5929 7 O 4.8072 -0.9324 0.1382 O.3 1 UNL1111111111 -0.5566 8 O -1.6249 -2.9055 0.5370 O.3 1 UNL1111111111 -0.2503 9 O 1.5263 1.8861 1.7954 O.2 1 UNL1111111111 -0.5538 10 O 5.6780 1.9687 0.0195 O.2 1 UNL1111111111 -0.4682 11 O -2.2541 -0.8998 -0.6728 O.3 1 UNL1111111111 -0.2388 12 O -4.0127 -2.6147 -0.3045 O.3 1 UNL1111111111 -0.3679 13 O -3.1882 -1.4568 1.7866 O.2 1 UNL1111111111 -0.1556 14 O -2.1395 1.5525 -0.4008 O.3 1 UNL1111111111 -0.3232 15 O -3.6171 0.5715 -2.2374 O.3 1 UNL1111111111 -0.3242 16 O -1.0896 0.4028 -2.3724 O.2 1 UNL1111111111 -0.1759 17 O -1.0622 3.2649 0.8667 O.3 1 UNL1111111111 -0.3400 18 O -3.2303 3.7923 -0.1596 O.3 1 UNL1111111111 -0.3140 19 O -3.2766 2.2068 1.8114 O.2 1 UNL1111111111 -0.1841 20 N 2.1091 0.1114 0.4618 N.am 1 UNL1111111111 -0.6229 21 N 3.5819 1.9592 0.8407 N.am 1 UNL1111111111 -0.6260 22 C 0.8129 -0.5724 0.7710 C.3 1 UNL1111111111 0.3368 23 C 1.0196 -1.6233 1.8721 C.3 1 UNL1111111111 -0.3951 24 C 1.1905 -2.9388 1.1062 C.3 1 UNL1111111111 0.1350 25 C 0.6103 -2.6461 -0.2976 C.3 1 UNL1111111111 0.0067 26 C 2.7976 -0.2286 -0.7783 C.3 1 UNL1111111111 0.3185 27 C 4.3154 0.1038 -0.6836 C.3 1 UNL1111111111 0.1947 28 C -0.7651 -3.2882 -0.5398 C.3 1 UNL1111111111 -0.0497 29 C 2.3259 1.3509 1.0505 C.2 1 UNL1111111111 0.7402 30 C 4.6047 1.4188 0.0580 C.2 1 UNL1111111111 0.5508 31 C 4.9738 0.1093 -2.0472 C.3 1 UNL1111111111 -0.4901 32 H 0.0257 0.1874 0.9955 H 1 UNL1111111111 0.1895 33 H 1.8849 -1.4066 2.5213 H 1 UNL1111111111 0.1765 34 H 0.1385 -1.6574 2.5428 H 1 UNL1111111111 0.1893 35 H 0.7343 -3.8174 1.6037 H 1 UNL1111111111 0.1564 36 H 1.3206 -2.9322 -1.1027 H 1 UNL1111111111 0.1382 37 H 2.6568 -1.3101 -1.0324 H 1 UNL1111111111 0.1585 38 H -0.7123 -4.3930 -0.4183 H 1 UNL1111111111 0.1288 39 H -1.1168 -3.0644 -1.5646 H 1 UNL1111111111 0.1417 40 H 4.9637 -0.8886 -2.5039 H 1 UNL1111111111 0.1673 41 H 4.4485 0.7866 -2.7433 H 1 UNL1111111111 0.1923 42 H 6.0181 0.4527 -1.9991 H 1 UNL1111111111 0.1770 43 H 3.7610 2.8311 1.3482 H 1 UNL1111111111 0.3460 44 H 3.1129 -2.5167 0.8203 H 1 UNL1111111111 0.3386 45 H 1.3145 0.4705 -1.8932 H 1 UNL1111111111 0.3746 46 H 5.7903 -0.9736 0.1066 H 1 UNL1111111111 0.3458 47 H -3.8581 -2.6296 -1.3108 H 1 UNL1111111111 0.3123 48 H -4.3638 0.7652 -1.5558 H 1 UNL1111111111 0.3273 49 H -0.3797 2.5228 1.0925 H 1 UNL1111111111 0.3494 50 H -2.5979 4.1172 -0.9017 H 1 UNL1111111111 0.3147 @BOND 1 1 8 1 2 1 11 1 3 1 12 1 4 1 13 2 5 2 11 1 6 2 14 1 7 2 15 1 8 2 16 2 9 3 14 1 10 3 17 1 11 3 18 1 12 3 19 2 13 4 22 1 14 4 25 1 15 5 24 1 16 5 44 1 17 6 26 1 18 6 45 1 19 7 27 1 20 7 46 1 21 8 28 1 22 9 29 2 23 10 30 2 24 12 47 1 25 15 48 1 26 17 49 1 27 18 50 1 28 20 22 1 29 20 26 1 30 20 29 am 31 21 29 am 32 21 30 am 33 21 43 1 34 22 23 1 35 22 32 1 36 23 24 1 37 23 33 1 38 23 34 1 39 24 25 1 40 24 35 1 41 25 28 1 42 25 36 1 43 26 27 1 44 26 37 1 45 27 30 1 46 27 31 1 47 28 38 1 48 28 39 1 49 31 40 1 50 31 41 1 51 31 42 1