@MOLECULE o-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl} s-{[(2s,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl} hydrogen phosphorothioate 64 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.5154 1.4955 1.2468 S.3 1 UNL1 0.1329 2 P 0.4035 2.7258 -0.2100 P.3 1 UNL1 0.2956 3 O -4.1740 1.2563 -0.4750 O.3 1 UNL1 -0.4296 4 O 5.1173 1.2550 0.4593 O.3 1 UNL1 -0.4249 5 O -4.4710 3.2309 1.9257 O.3 1 UNL1 -0.5450 6 O 5.2036 2.8850 -2.1863 O.3 1 UNL1 -0.5492 7 O 1.9551 2.8509 0.1530 O.3 1 UNL1 -0.2784 8 O 0.3128 1.7413 -1.4726 O.3 1 UNL1 -0.4622 9 O -0.0388 4.0912 -0.4707 O.2 1 UNL1 -0.2826 10 O -7.8245 -0.1882 0.0060 O.2 1 UNL1 -0.5058 11 O 7.2757 -1.6975 -1.0562 O.2 1 UNL1 -0.5056 12 O -6.4919 -4.2842 -1.4238 O.2 1 UNL1 -0.4674 13 O 5.0806 -4.7756 1.4527 O.2 1 UNL1 -0.4704 14 N -5.5804 -0.5675 -0.1837 N.ar 1 UNL1 -0.4989 15 N 5.3746 -1.0215 0.0190 N.ar 1 UNL1 -0.5013 16 N -7.1664 -2.2625 -0.7236 N.ar 1 UNL1 -0.6218 17 N 6.1807 -3.2577 0.2156 N.ar 1 UNL1 -0.6238 18 C -3.2042 1.7960 0.4242 C.3 1 UNL1 0.0705 19 C 4.1616 2.1433 -0.1180 C.3 1 UNL1 0.0367 20 C -3.9004 1.9471 1.7987 C.3 1 UNL1 0.1158 21 C 4.2567 1.9858 -1.6502 C.3 1 UNL1 0.1278 22 C -5.0898 0.9850 1.7207 C.3 1 UNL1 -0.3726 23 C 4.8785 0.5951 -1.8344 C.3 1 UNL1 -0.3677 24 C -5.3390 0.8380 0.2101 C.3 1 UNL1 0.3233 25 C 5.6111 0.3461 -0.5031 C.3 1 UNL1 0.3238 26 C -2.0363 0.8124 0.4460 C.3 1 UNL1 -0.3616 27 C 2.7969 1.7284 0.4642 C.3 1 UNL1 -0.0828 28 C -4.5457 -1.3944 -0.5918 C.ar 1 UNL1 0.1150 29 C 4.3417 -1.3139 0.8950 C.ar 1 UNL1 0.1225 30 C -6.9356 -0.9580 -0.2927 C.ar 1 UNL1 0.7005 31 C 6.3538 -1.9831 -0.3211 C.ar 1 UNL1 0.6991 32 C -4.7763 -2.6632 -1.0126 C.ar 1 UNL1 -0.2393 33 C 4.1714 -2.5601 1.4062 C.ar 1 UNL1 -0.2493 34 C -6.1391 -3.1794 -1.0885 C.ar 1 UNL1 0.6045 35 C 5.1089 -3.6280 1.0768 C.ar 1 UNL1 0.6046 36 C -3.6938 -3.5962 -1.4123 C.3 1 UNL1 -0.4033 37 C 3.0588 -2.9223 2.3201 C.3 1 UNL1 -0.4048 38 H -2.9658 2.7808 -0.0392 H 1 UNL1 0.1700 39 H 4.4739 3.1503 0.2337 H 1 UNL1 0.1653 40 H -3.2409 1.7760 2.6704 H 1 UNL1 0.1380 41 H 3.2957 2.1325 -2.1791 H 1 UNL1 0.1419 42 H -4.8776 0.0200 2.2103 H 1 UNL1 0.1668 43 H -5.9774 1.4039 2.2388 H 1 UNL1 0.1991 44 H 4.1139 -0.1676 -2.0510 H 1 UNL1 0.1681 45 H 5.5853 0.5805 -2.6917 H 1 UNL1 0.1976 46 H -6.1738 1.4833 -0.1757 H 1 UNL1 0.1852 47 H 6.7184 0.5344 -0.5474 H 1 UNL1 0.1845 48 H -2.2826 -0.0895 1.0412 H 1 UNL1 0.1712 49 H -1.8443 0.4478 -0.5893 H 1 UNL1 0.1945 50 H 2.4751 0.7497 0.0611 H 1 UNL1 0.1392 51 H 2.8673 1.6687 1.5734 H 1 UNL1 0.1454 52 H -3.8104 3.9296 1.7355 H 1 UNL1 0.3245 53 H 4.9646 3.8135 -1.9902 H 1 UNL1 0.3226 54 H -3.5391 -0.9653 -0.5562 H 1 UNL1 0.1774 55 H 3.6737 -0.4848 1.1522 H 1 UNL1 0.1806 56 H -8.1380 -2.5740 -0.7918 H 1 UNL1 0.3482 57 H 6.8766 -3.9709 -0.0278 H 1 UNL1 0.3490 58 H 0.4038 2.2625 -2.3433 H 1 UNL1 0.3399 59 H -3.7173 -4.5158 -0.8018 H 1 UNL1 0.1696 60 H -2.6901 -3.1631 -1.3214 H 1 UNL1 0.1427 61 H -3.8171 -3.9261 -2.4589 H 1 UNL1 0.1721 62 H 3.4466 -3.3411 3.2657 H 1 UNL1 0.1711 63 H 2.4133 -2.0731 2.5755 H 1 UNL1 0.1455 64 H 2.4171 -3.7044 1.8789 H 1 UNL1 0.1652 @BOND 1 45 23 1 2 61 36 1 3 58 8 1 4 6 53 1 5 6 21 1 6 41 21 1 7 44 23 1 8 23 21 1 9 23 25 1 10 21 19 1 11 8 2 1 12 12 34 2 13 36 60 1 14 36 32 1 15 36 59 1 16 34 32 ar 17 34 16 ar 18 11 31 2 19 32 28 ar 20 56 16 1 21 16 30 ar 22 28 54 1 23 28 14 ar 24 49 26 1 25 47 25 1 26 25 15 1 27 25 4 1 28 3 24 1 29 3 18 1 30 9 2 2 31 31 15 ar 32 31 17 ar 33 30 14 ar 34 30 10 2 35 2 7 1 36 2 1 1 37 14 24 1 38 46 24 1 39 19 39 1 40 19 4 1 41 19 27 1 42 38 18 1 43 57 17 1 44 15 29 ar 45 50 27 1 46 7 27 1 47 24 22 1 48 17 35 ar 49 18 26 1 50 18 20 1 51 26 48 1 52 26 1 1 53 27 51 1 54 29 55 1 55 29 33 ar 56 35 33 ar 57 35 13 2 58 33 37 1 59 22 20 1 60 22 42 1 61 22 43 1 62 52 5 1 63 20 5 1 64 20 40 1 65 64 37 1 66 37 63 1 67 37 62 1