@MOLECULE 5'-o-[hydroxy(1-naphthyloxy)phosphoryl]thymidine 52 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.4649 0.8272 -0.8887 P.3 1 UNL1 0.3676 2 O 0.1852 -2.5216 -1.5283 O.3 1 UNL1 -0.4249 3 O -1.7618 -3.8133 0.5056 O.3 1 UNL1 -0.5529 4 O -2.7833 -0.5979 -1.0416 O.3 1 UNL1 -0.2011 5 O 3.0311 -2.0733 1.3742 O.2 1 UNL1 -0.5248 6 O -2.8434 1.6224 0.3741 O.3 1 UNL1 -0.3140 7 O -2.8214 1.6757 -2.0752 O.3 1 UNL1 -0.3593 8 O -4.9022 0.7202 -0.7806 O.2 1 UNL1 -0.1868 9 O 4.6704 1.5981 -0.7109 O.2 1 UNL1 -0.4924 10 N 2.0096 -1.4249 -0.5644 N.ar 1 UNL1 -0.5081 11 N 3.8915 -0.2435 0.3072 N.ar 1 UNL1 -0.6221 12 C -1.2064 -2.5180 0.4102 C.3 1 UNL1 0.1226 13 C -1.1439 -2.2239 -1.0994 C.3 1 UNL1 0.0710 14 C 0.2615 -2.5271 0.8626 C.3 1 UNL1 -0.3966 15 C 1.0738 -2.5828 -0.4396 C.3 1 UNL1 0.3404 16 C -1.3982 -0.7411 -1.4397 C.3 1 UNL1 -0.0920 17 C 1.9643 -0.5650 -1.6467 C.ar 1 UNL1 0.1282 18 C 2.9883 -1.2963 0.4421 C.ar 1 UNL1 0.7011 19 C 2.8330 0.4730 -1.7634 C.ar 1 UNL1 -0.2497 20 C 3.8567 0.7043 -0.7542 C.ar 1 UNL1 0.6128 21 C 2.7970 1.4112 -2.9124 C.3 1 UNL1 -0.4056 22 C -1.9042 1.1051 1.2230 C.ar 1 UNL1 0.2887 23 C -0.5698 1.6204 1.1091 C.ar 1 UNL1 -0.1066 24 C 0.3721 1.2201 2.0825 C.ar 1 UNL1 0.0330 25 C -2.2726 0.2656 2.2531 C.ar 1 UNL1 -0.2822 26 C -0.1755 2.5262 0.0914 C.ar 1 UNL1 -0.1148 27 C -0.0134 0.3274 3.1211 C.ar 1 UNL1 -0.2215 28 C -1.3057 -0.1204 3.2091 C.ar 1 UNL1 -0.1027 29 C 1.6963 1.7323 2.0166 C.ar 1 UNL1 -0.1857 30 C 1.1096 3.0058 0.0478 C.ar 1 UNL1 -0.1692 31 C 2.0549 2.6061 1.0226 C.ar 1 UNL1 -0.1237 32 H -1.8426 -1.8096 0.9801 H 1 UNL1 0.1542 33 H -1.7869 -2.9154 -1.6887 H 1 UNL1 0.1793 34 H 0.5037 -1.6388 1.4791 H 1 UNL1 0.1885 35 H 0.4900 -3.3957 1.5066 H 1 UNL1 0.1832 36 H 1.6600 -3.5237 -0.5900 H 1 UNL1 0.1631 37 H -1.2943 -0.5700 -2.5310 H 1 UNL1 0.1488 38 H -0.6862 -0.0843 -0.9001 H 1 UNL1 0.1488 39 H -1.9527 -4.0425 1.4352 H 1 UNL1 0.3186 40 H 1.1939 -0.7719 -2.4053 H 1 UNL1 0.1931 41 H 4.6056 -0.1399 1.0318 H 1 UNL1 0.3451 42 H 3.2130 2.3977 -2.6424 H 1 UNL1 0.1734 43 H 1.7792 1.5822 -3.2869 H 1 UNL1 0.1499 44 H 3.4053 1.0392 -3.7521 H 1 UNL1 0.1592 45 H -3.2449 2.6098 -2.0767 H 1 UNL1 0.3267 46 H -3.2967 -0.0892 2.3570 H 1 UNL1 0.1796 47 H -0.9059 2.8528 -0.6488 H 1 UNL1 0.1658 48 H 0.7353 0.0232 3.8502 H 1 UNL1 0.1621 49 H -1.6105 -0.7805 4.0209 H 1 UNL1 0.1504 50 H 2.4150 1.4223 2.7735 H 1 UNL1 0.1599 51 H 1.4206 3.6993 -0.7312 H 1 UNL1 0.1546 52 H 3.0712 3.0017 0.9634 H 1 UNL1 0.1670 @BOND 1 44 21 1 2 43 21 1 3 21 42 1 4 21 19 1 5 37 16 1 6 40 17 1 7 45 7 1 8 7 1 1 9 19 17 ar 10 19 20 ar 11 33 13 1 12 17 10 ar 13 2 13 1 14 2 15 1 15 16 13 1 16 16 4 1 17 16 38 1 18 13 12 1 19 4 1 1 20 1 8 2 21 1 6 1 22 20 9 2 23 20 11 ar 24 51 30 1 25 47 26 1 26 36 15 1 27 10 15 1 28 10 18 ar 29 15 14 1 30 30 26 ar 31 30 31 ar 32 26 23 ar 33 11 18 ar 34 11 41 1 35 6 22 1 36 12 3 1 37 12 14 1 38 12 32 1 39 18 5 2 40 3 39 1 41 14 34 1 42 14 35 1 43 52 31 1 44 31 29 ar 45 23 22 ar 46 23 24 ar 47 22 25 ar 48 29 24 ar 49 29 50 1 50 24 27 ar 51 25 46 1 52 25 28 ar 53 27 28 ar 54 27 48 1 55 28 49 1