@MOLECULE 5'-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl)thymidine 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 4.0329 -2.2772 -0.9675 S.3 1 UNL1 -0.0312 2 P 2.6131 -1.0860 -1.2435 P.3 1 UNL1 0.3188 3 P 2.5705 1.7696 -0.2473 P.3 1 UNL1 0.3659 4 P 1.1464 1.1803 2.3758 P.3 1 UNL1 0.3635 5 O -1.1836 -1.3775 0.9499 O.3 1 UNL1 -0.4072 6 O -1.5305 -4.4344 1.2611 O.3 1 UNL1 -0.5466 7 O 1.1924 -1.1741 -0.4881 O.3 1 UNL1 -0.2572 8 O -5.1132 -0.5669 0.7829 O.2 1 UNL1 -0.5219 9 O 3.0969 0.3552 -0.7701 O.3 1 UNL1 -0.0851 10 O 2.1761 -0.9309 -2.7776 O.3 1 UNL1 -0.4557 11 O -4.3369 3.0467 -1.8479 O.2 1 UNL1 -0.4732 12 O 1.8438 1.0796 0.9661 O.3 1 UNL1 -0.1342 13 O 1.4443 2.1841 -1.2952 O.3 1 UNL1 -0.3975 14 O 3.6950 2.6685 -0.1034 O.2 1 UNL1 -0.2363 15 O -0.3790 1.5066 2.0522 O.3 1 UNL1 -0.3232 16 O 1.5729 2.5887 2.9965 O.3 1 UNL1 -0.3161 17 O 1.4526 -0.0355 3.1151 O.2 1 UNL1 -0.2830 18 N -2.9896 -0.2709 -0.0003 N.ar 1 UNL1 -0.5199 19 N -4.7370 1.2595 -0.5492 N.ar 1 UNL1 -0.6254 20 C -1.5911 -3.5835 0.1402 C.3 1 UNL1 0.0998 21 C -0.5085 -2.5094 0.4088 C.3 1 UNL1 0.0813 22 C -2.9021 -2.7884 0.0729 C.3 1 UNL1 -0.4090 23 C -2.5748 -1.4616 0.7866 C.3 1 UNL1 0.3250 24 C 0.2055 -2.1382 -0.8999 C.3 1 UNL1 -0.0851 25 C -2.0785 0.5002 -0.7089 C.ar 1 UNL1 0.1220 26 C -4.3455 0.1062 0.1250 C.ar 1 UNL1 0.6951 27 C -2.4744 1.6131 -1.3762 C.ar 1 UNL1 -0.2453 28 C -3.8563 2.0708 -1.3227 C.ar 1 UNL1 0.5977 29 C -1.5295 2.4440 -2.1620 C.3 1 UNL1 -0.4023 30 H -1.4067 -4.2014 -0.7603 H 1 UNL1 0.1287 31 H 0.2032 -2.7860 1.2247 H 1 UNL1 0.1977 32 H -3.7406 -3.3093 0.5692 H 1 UNL1 0.1798 33 H -3.2330 -2.6300 -0.9696 H 1 UNL1 0.1733 34 H -3.0141 -1.3807 1.8157 H 1 UNL1 0.1732 35 H -0.4835 -1.6274 -1.6032 H 1 UNL1 0.1303 36 H 0.5849 -3.0589 -1.3893 H 1 UNL1 0.1353 37 H -2.3287 -4.9935 1.3271 H 1 UNL1 0.3221 38 H -1.0229 0.1686 -0.6861 H 1 UNL1 0.2182 39 H -5.7144 1.5492 -0.4611 H 1 UNL1 0.3473 40 H -1.9596 2.7348 -3.1352 H 1 UNL1 0.1602 41 H -0.5766 1.9283 -2.3582 H 1 UNL1 0.1649 42 H -1.2920 3.3807 -1.6307 H 1 UNL1 0.1654 43 H 1.6087 -0.1026 -2.9238 H 1 UNL1 0.3345 44 H 1.3633 3.2048 -1.3129 H 1 UNL1 0.3210 45 H -0.7661 0.6769 1.5729 H 1 UNL1 0.3254 46 H 2.0104 2.4057 3.9051 H 1 UNL1 0.3089 @BOND 1 40 29 1 2 43 10 1 3 10 2 1 4 41 29 1 5 29 42 1 6 29 27 1 7 11 28 2 8 35 24 1 9 36 24 1 10 27 28 ar 11 27 25 ar 12 28 19 ar 13 44 13 1 14 13 3 1 15 2 1 1 16 2 9 1 17 2 7 1 18 33 22 1 19 24 7 1 20 24 21 1 21 9 3 1 22 30 20 1 23 25 38 1 24 25 18 ar 25 19 39 1 26 19 26 ar 27 3 14 2 28 3 12 1 29 18 26 ar 30 18 23 1 31 22 20 1 32 22 32 1 33 22 23 1 34 26 8 2 35 20 21 1 36 20 6 1 37 21 5 1 38 21 31 1 39 23 5 1 40 23 34 1 41 12 4 1 42 6 37 1 43 45 15 1 44 15 4 1 45 4 16 1 46 4 17 2 47 16 46 1