@MOLECULE 1-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-d-ribofuranosyl]-4-thioxo-3,4-dihydro-2(1h)-pyrimidinone 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.4611 4.1451 -2.0081 S.2 1 UNL1 -0.4085 2 P 1.3641 -2.0791 -1.3136 P.3 1 UNL1 0.3549 3 P 3.4359 -0.6281 0.4200 P.3 1 UNL1 0.4084 4 P 1.3262 1.0153 1.8668 P.3 1 UNL1 0.3845 5 O -1.8916 -0.9314 0.9714 O.3 1 UNL1 -0.4174 6 O -4.3339 -2.7772 1.1663 O.3 1 UNL1 -0.5295 7 O -5.2065 -0.5854 0.0049 O.3 1 UNL1 -0.5065 8 O 0.1568 -2.1084 -0.2275 O.3 1 UNL1 -0.2830 9 O -2.8100 2.5756 1.2589 O.2 1 UNL1 -0.4871 10 O 2.5626 -1.7004 -0.3826 O.3 1 UNL1 -0.2086 11 O 1.7174 -3.6171 -1.5503 O.3 1 UNL1 -0.3424 12 O 1.0518 -1.3803 -2.5473 O.2 1 UNL1 -0.2862 13 O 2.4913 0.0092 1.4896 O.3 1 UNL1 -0.1682 14 O 3.9777 0.4228 -0.6208 O.3 1 UNL1 -0.3055 15 O 4.4528 -1.4549 1.0354 O.2 1 UNL1 -0.1368 16 O 1.8373 2.4638 1.4644 O.3 1 UNL1 -0.2916 17 O 0.1278 0.8384 0.8486 O.3 1 UNL1 -0.4624 18 O 1.1196 0.7753 3.2788 O.2 1 UNL1 -0.1812 19 N -2.2166 0.9875 -0.2957 N.ar 1 UNL1 -0.4524 20 N -1.2959 3.2178 -0.3129 N.ar 1 UNL1 -0.5232 21 C -3.5249 -2.3832 0.0887 C.3 1 UNL1 0.0331 22 C -3.9001 -0.9313 -0.3353 C.3 1 UNL1 0.0313 23 C -2.0489 -2.2676 0.5110 C.3 1 UNL1 0.0231 24 C -2.8952 -0.0571 0.4762 C.3 1 UNL1 0.2290 25 C -1.1154 -2.6118 -0.6622 C.3 1 UNL1 -0.0661 26 C -2.1358 2.2690 0.3030 C.ar 1 UNL1 0.6969 27 C -1.4132 0.6830 -1.3884 C.ar 1 UNL1 0.1707 28 C -0.6055 1.6134 -1.9564 C.ar 1 UNL1 -0.3458 29 C -0.5025 2.9421 -1.4211 C.ar 1 UNL1 0.3435 30 H -3.7442 -3.1427 -0.6864 H 1 UNL1 0.1687 31 H -3.8441 -0.7618 -1.4303 H 1 UNL1 0.1631 32 H -1.7870 -2.8638 1.4153 H 1 UNL1 0.1730 33 H -3.3759 0.3966 1.3884 H 1 UNL1 0.2000 34 H -1.4812 -2.1610 -1.6090 H 1 UNL1 0.1254 35 H -1.0879 -3.7159 -0.7913 H 1 UNL1 0.1366 36 H -4.0405 -2.3519 2.0063 H 1 UNL1 0.3297 37 H -5.5822 -1.2244 0.6629 H 1 UNL1 0.3393 38 H -1.4950 -0.3402 -1.7813 H 1 UNL1 0.1812 39 H -1.2861 4.1542 0.1148 H 1 UNL1 0.3532 40 H 0.0148 1.3498 -2.8205 H 1 UNL1 0.2162 41 H 2.3013 -3.9525 -0.7719 H 1 UNL1 0.3260 42 H 3.1978 1.0036 -0.9615 H 1 UNL1 0.3280 43 H 1.1692 2.8580 0.7857 H 1 UNL1 0.3140 44 H -0.2741 -0.1078 0.8949 H 1 UNL1 0.3727 @BOND 1 40 28 1 2 12 2 2 3 1 29 2 4 28 29 ar 5 28 27 ar 6 38 27 1 7 34 25 1 8 11 2 1 9 11 41 1 10 31 22 1 11 29 20 ar 12 27 19 ar 13 2 10 1 14 2 8 1 15 42 14 1 16 35 25 1 17 30 21 1 18 25 8 1 19 25 23 1 20 14 3 1 21 10 3 1 22 22 7 1 23 22 21 1 24 22 24 1 25 20 39 1 26 20 26 ar 27 19 26 ar 28 19 24 1 29 7 37 1 30 21 23 1 31 21 6 1 32 26 9 2 33 3 15 2 34 3 13 1 35 24 5 1 36 24 33 1 37 23 5 1 38 23 32 1 39 43 16 1 40 17 44 1 41 17 4 1 42 6 36 1 43 16 4 1 44 13 4 1 45 4 18 2