@MOLECULE 5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]methyl}phosphoryl)thymidine 50 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 1.5664 1.0494 -2.2414 P.3 1 UNL1 0.3043 2 P 3.1858 1.3829 0.6808 P.3 1 UNL1 0.2603 3 P 2.2381 -1.7276 1.4200 P.3 1 UNL1 0.3017 4 O -0.9461 -1.5539 0.1556 O.3 1 UNL1 -0.4475 5 O -1.5600 -4.0719 -1.6136 O.3 1 UNL1 -0.5572 6 O 0.5384 0.1695 -1.3702 O.3 1 UNL1 -0.2994 7 O 0.9982 2.5362 -2.0637 O.3 1 UNL1 -0.3916 8 O 4.7302 0.9077 0.7356 O.3 1 UNL1 -0.4448 9 O 1.7100 0.6282 -3.6329 O.2 1 UNL1 -0.3781 10 O 3.0120 2.7323 1.2259 O.2 1 UNL1 -0.3841 11 O -4.9722 -0.9526 0.7295 O.2 1 UNL1 -0.5234 12 O 3.2259 -2.0709 2.6326 O.3 1 UNL1 -0.3539 13 O 0.8408 -2.1990 2.0695 O.3 1 UNL1 -0.4590 14 O 2.5291 -2.4024 0.1563 O.2 1 UNL1 -0.3621 15 O -4.2820 3.5134 1.0151 O.2 1 UNL1 -0.4713 16 N -2.8164 -0.2145 0.5452 N.ar 1 UNL1 -0.5254 17 N -4.6263 1.3035 0.8631 N.ar 1 UNL1 -0.6295 18 C -0.6591 -1.8245 -1.2202 C.3 1 UNL1 0.0371 19 C -1.8286 -2.6910 -1.7156 C.3 1 UNL1 0.1144 20 C -2.9791 -2.3883 -0.7325 C.3 1 UNL1 -0.3745 21 C -2.3263 -1.6232 0.4249 C.3 1 UNL1 0.3379 22 C -0.5652 -0.5033 -1.9976 C.3 1 UNL1 -0.0634 23 C 3.0437 1.0848 -1.1587 C.3 1 UNL1 -0.0811 24 C -1.9198 0.8464 0.5911 C.ar 1 UNL1 0.1219 25 C -4.2001 -0.0151 0.7176 C.ar 1 UNL1 0.6945 26 C 2.1740 0.1147 1.5986 C.3 1 UNL1 -0.1340 27 C -2.3408 2.1274 0.7331 C.ar 1 UNL1 -0.2460 28 C -3.7566 2.4338 0.8788 C.ar 1 UNL1 0.5969 29 C -1.3866 3.2638 0.7662 C.3 1 UNL1 -0.4148 30 H 0.3269 -2.3509 -1.1863 H 1 UNL1 0.1907 31 H -2.1096 -2.5247 -2.7741 H 1 UNL1 0.1454 32 H -3.8036 -1.8342 -1.2119 H 1 UNL1 0.1845 33 H -3.4508 -3.3311 -0.3839 H 1 UNL1 0.1981 34 H -2.4000 -2.1124 1.4283 H 1 UNL1 0.1603 35 H -1.4629 0.1258 -1.8384 H 1 UNL1 0.1365 36 H -0.4650 -0.7026 -3.0864 H 1 UNL1 0.1483 37 H -0.6162 -4.2507 -1.4283 H 1 UNL1 0.3296 38 H 3.5494 0.0423 -1.3259 H 1 UNL1 0.2440 39 H 3.7321 1.8877 -1.6409 H 1 UNL1 0.2272 40 H -0.8505 0.5822 0.4927 H 1 UNL1 0.2141 41 H 1.0740 0.3970 1.3571 H 1 UNL1 0.2208 42 H 2.3311 0.3295 2.7270 H 1 UNL1 0.2195 43 H -5.6284 1.4626 1.0028 H 1 UNL1 0.3473 44 H 0.3270 2.7449 -2.7980 H 1 UNL1 0.3142 45 H 5.1457 1.2078 1.6101 H 1 UNL1 0.3253 46 H -1.0124 3.4554 1.7840 H 1 UNL1 0.1615 47 H -0.5023 3.0967 0.1282 H 1 UNL1 0.1781 48 H -1.8531 4.2024 0.4241 H 1 UNL1 0.1692 49 H 3.2622 -3.0875 2.7397 H 1 UNL1 0.3186 50 H 0.1064 -2.1010 1.3763 H 1 UNL1 0.3394 @BOND 1 9 1 2 2 36 22 1 3 44 7 1 4 31 19 1 5 1 7 1 6 1 6 1 7 1 23 1 8 22 35 1 9 22 6 1 10 22 18 1 11 19 5 1 12 19 18 1 13 19 20 1 14 39 23 1 15 5 37 1 16 38 23 1 17 18 30 1 18 18 4 1 19 32 20 1 20 23 2 1 21 20 33 1 22 20 21 1 23 47 29 1 24 4 21 1 25 14 3 2 26 48 29 1 27 21 16 1 28 21 34 1 29 40 24 1 30 16 24 ar 31 16 25 ar 32 24 27 ar 33 2 8 1 34 2 10 2 35 2 26 1 36 25 11 2 37 25 17 ar 38 27 29 1 39 27 28 ar 40 8 45 1 41 29 46 1 42 17 28 ar 43 17 43 1 44 28 15 2 45 41 26 1 46 50 13 1 47 3 26 1 48 3 13 1 49 3 12 1 50 26 42 1 51 12 49 1