@MOLECULE 5'-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)thymidine 48 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 1.8261 -1.8156 -1.6862 P.3 1 UNL1 0.3110 2 P 3.4566 0.6389 -0.0654 P.3 1 UNL1 0.3310 3 P 1.5407 0.9610 2.3246 P.3 1 UNL1 0.3686 4 O -1.3531 -1.2678 1.1110 O.3 1 UNL1 -0.4344 5 O -2.9654 -3.9945 1.3776 O.3 1 UNL1 -0.5387 6 O 0.5767 -1.7314 -0.6723 O.3 1 UNL1 -0.3307 7 O 1.5382 -0.6552 -2.7443 O.3 1 UNL1 -0.3685 8 O -4.7506 0.9182 0.6934 O.2 1 UNL1 -0.5265 9 O 2.0332 -3.1338 -2.2796 O.2 1 UNL1 -0.3838 10 O 2.7717 0.9420 1.3271 O.3 1 UNL1 -0.2566 11 O 2.6415 1.5194 -1.1175 O.3 1 UNL1 -0.3814 12 O -2.6922 3.8117 -2.1287 O.2 1 UNL1 -0.4748 13 O 4.8609 0.9854 0.1146 O.2 1 UNL1 -0.2963 14 O 0.4039 1.8864 1.6994 O.3 1 UNL1 -0.4001 15 O 0.9128 -0.4868 2.3802 O.3 1 UNL1 -0.3476 16 O 2.0614 1.4112 3.5985 O.2 1 UNL1 -0.1421 17 N -2.5997 0.4508 0.0930 N.ar 1 UNL1 -0.5129 18 N -3.7277 2.3849 -0.7370 N.ar 1 UNL1 -0.6256 19 C -1.2885 -2.5212 0.4330 C.3 1 UNL1 0.0312 20 C -2.7412 -3.0450 0.3725 C.3 1 UNL1 0.1173 21 C -3.6069 -1.7911 0.5705 C.3 1 UNL1 -0.4041 22 C -2.6338 -0.6950 1.0409 C.3 1 UNL1 0.3339 23 C -0.6872 -2.3402 -0.9685 C.3 1 UNL1 -0.0594 24 C -1.4365 0.8444 -0.5505 C.ar 1 UNL1 0.1316 25 C -3.7653 1.2485 0.0646 C.ar 1 UNL1 0.6946 26 C 3.1190 -1.1181 -0.5922 C.3 1 UNL1 -0.0705 27 C -1.4054 1.9542 -1.3303 C.ar 1 UNL1 -0.2582 28 C -2.5789 2.8043 -1.4716 C.ar 1 UNL1 0.5989 29 C -0.1927 2.3689 -2.0778 C.3 1 UNL1 -0.4110 30 H -0.6237 -3.1247 1.0915 H 1 UNL1 0.1756 31 H -2.9818 -3.6134 -0.5501 H 1 UNL1 0.1585 32 H -4.4136 -1.9640 1.3086 H 1 UNL1 0.1906 33 H -4.1480 -1.5084 -0.3532 H 1 UNL1 0.1851 34 H -2.8282 -0.3011 2.0750 H 1 UNL1 0.1705 35 H -1.2908 -1.6444 -1.5865 H 1 UNL1 0.1333 36 H -0.6260 -3.3223 -1.4842 H 1 UNL1 0.1441 37 H -2.8148 -3.6204 2.2715 H 1 UNL1 0.3238 38 H -0.5526 0.2001 -0.4104 H 1 UNL1 0.2193 39 H 4.1156 -1.4532 -1.0967 H 1 UNL1 0.2255 40 H 3.0204 -1.7052 0.4101 H 1 UNL1 0.2373 41 H -4.5694 2.9661 -0.7717 H 1 UNL1 0.3473 42 H -0.4304 2.6140 -3.1261 H 1 UNL1 0.1620 43 H 0.5827 1.5845 -2.1059 H 1 UNL1 0.1857 44 H 0.2624 3.2713 -1.6409 H 1 UNL1 0.1578 45 H 1.0885 -1.0455 -3.5710 H 1 UNL1 0.3098 46 H 2.9700 2.4863 -1.0678 H 1 UNL1 0.3161 47 H 0.5786 2.0691 0.7151 H 1 UNL1 0.3291 48 H 0.2184 -0.6219 1.6458 H 1 UNL1 0.3338 @BOND 1 45 7 1 2 42 29 1 3 7 1 1 4 9 1 2 5 12 28 2 6 43 29 1 7 29 44 1 8 29 27 1 9 1 6 1 10 1 26 1 11 35 23 1 12 36 23 1 13 28 27 ar 14 28 18 ar 15 27 24 ar 16 11 46 1 17 11 2 1 18 39 26 1 19 23 6 1 20 23 19 1 21 41 18 1 22 18 25 ar 23 26 2 1 24 26 40 1 25 24 38 1 26 24 17 ar 27 31 20 1 28 33 21 1 29 2 13 2 30 2 10 1 31 25 17 ar 32 25 8 2 33 17 22 1 34 20 19 1 35 20 21 1 36 20 5 1 37 19 30 1 38 19 4 1 39 21 22 1 40 21 32 1 41 47 14 1 42 22 4 1 43 22 34 1 44 10 3 1 45 5 37 1 46 48 15 1 47 14 3 1 48 3 15 1 49 3 16 2