@MOLECULE 3'-azido-3'-deoxy-5'-o-(hydroxy{[(2s,5r)-5-(6-oxo-3,6-dihydro-9h-purin-9-yl)tetrahydro-2-furanyl]methoxy}phosphoryl)thymidine 63 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.8750 1.7399 0.4852 P.3 1 UNL1 0.3322 2 O -1.3057 -0.8942 -0.5732 O.3 1 UNL1 -0.4004 3 O 0.2745 2.5376 0.1311 O.3 1 UNL1 -0.4257 4 O -2.7945 0.7537 1.1379 O.3 1 UNL1 -0.2206 5 O -2.9498 2.7826 -0.2789 O.3 1 UNL1 -0.2329 6 O -4.5514 0.7980 -0.6193 O.3 1 UNL1 -0.4232 7 O -4.7538 2.4674 1.3806 O.2 1 UNL1 -0.2232 8 O 1.6982 -3.4495 0.5854 O.2 1 UNL1 -0.4847 9 O 3.5657 -0.1185 3.0092 O.2 1 UNL1 -0.5346 10 O 4.3000 -2.2336 -2.3267 O.2 1 UNL1 -0.3571 11 N 0.5355 -1.4804 0.7419 N.ar 1 UNL1 -0.5119 12 N 2.0370 1.6043 -1.0258 N.ar 1 UNL1 -0.3821 13 N -3.2664 -3.6281 -0.9534 N.2 1 UNL1 -0.4605 14 N 2.5993 -1.8229 1.9079 N.ar 1 UNL1 -0.6233 15 N 2.0121 -0.1545 -2.4626 N.ar 1 UNL1 -0.2940 16 N 4.1006 0.9570 0.2551 N.ar 1 UNL1 -0.5101 17 N -4.5078 -3.6585 -0.8953 N.2 1 UNL1 0.4234 18 N 5.1119 -1.0710 -0.5378 N.ar 1 UNL1 -0.5358 19 N -5.6267 -3.8078 -1.0333 N.2 1 UNL1 -0.2083 20 C -2.5779 -1.3528 -0.1330 C.3 1 UNL1 0.0424 21 C -2.4825 -2.8961 0.0485 C.3 1 UNL1 0.0243 22 C -1.0030 -3.2285 -0.2356 C.3 1 UNL1 -0.3242 23 C -0.3121 -1.8718 -0.4314 C.3 1 UNL1 0.3257 24 C -0.6977 3.3552 -0.5337 C.3 1 UNL1 0.0952 25 C 1.5783 2.8015 -0.3225 C.3 1 UNL1 0.3070 26 C 0.0356 4.1518 -1.6236 C.3 1 UNL1 -0.3135 27 C 1.5197 4.0224 -1.2622 C.3 1 UNL1 -0.3311 28 C -2.9466 -0.6672 1.1904 C.3 1 UNL1 -0.0668 29 C -1.7944 2.4198 -1.0640 C.3 1 UNL1 -0.0741 30 C 3.1218 0.7974 -0.7086 C.ar 1 UNL1 0.2174 31 C 0.4194 -0.2292 1.3183 C.ar 1 UNL1 0.1483 32 C 1.6242 -2.3315 1.0441 C.ar 1 UNL1 0.6914 33 C 1.3734 0.9566 -2.1012 C.ar 1 UNL1 0.0879 34 C 3.1106 -0.2800 -1.6288 C.ar 1 UNL1 -0.1807 35 C 1.3444 0.2327 2.2030 C.ar 1 UNL1 -0.2964 36 C 2.5624 -0.5161 2.4524 C.ar 1 UNL1 0.6128 37 C 4.1659 -1.2935 -1.5955 C.ar 1 UNL1 0.5951 38 C 1.1619 1.5023 2.9486 C.3 1 UNL1 -0.4053 39 C 5.0624 -0.0903 0.2949 C.ar 1 UNL1 0.3218 40 H -3.2465 -1.0654 -0.9791 H 1 UNL1 0.1794 41 H -2.7627 -3.2067 1.0847 H 1 UNL1 0.1440 42 H -0.8880 -3.8506 -1.1518 H 1 UNL1 0.2011 43 H -0.5559 -3.8410 0.5693 H 1 UNL1 0.1936 44 H 0.3157 -1.7940 -1.3614 H 1 UNL1 0.1893 45 H -1.0908 4.0156 0.2780 H 1 UNL1 0.1656 46 H 2.1905 2.9569 0.5989 H 1 UNL1 0.1481 47 H -0.1641 3.7562 -2.6347 H 1 UNL1 0.1525 48 H -0.2939 5.2043 -1.6448 H 1 UNL1 0.1588 49 H 2.1589 3.8978 -2.1540 H 1 UNL1 0.1721 50 H 1.8938 4.9250 -0.7479 H 1 UNL1 0.1612 51 H -2.1860 -0.8778 1.9835 H 1 UNL1 0.1576 52 H -3.9340 -1.0132 1.5546 H 1 UNL1 0.1375 53 H -1.4601 1.3605 -1.0207 H 1 UNL1 0.1738 54 H -2.0902 2.6542 -2.1073 H 1 UNL1 0.1382 55 H -0.4568 0.3796 1.0233 H 1 UNL1 0.2200 56 H 0.4721 1.3511 -2.5360 H 1 UNL1 0.1943 57 H 3.4150 -2.4168 2.0944 H 1 UNL1 0.3539 58 H 3.9439 1.5386 1.0702 H 1 UNL1 0.3334 59 H 0.7161 1.3125 3.9396 H 1 UNL1 0.1635 60 H 0.4913 2.2051 2.4294 H 1 UNL1 0.1666 61 H 2.1162 2.0172 3.1330 H 1 UNL1 0.1565 62 H -5.4067 1.2318 -0.9634 H 1 UNL1 0.3306 63 H 5.8080 0.0143 1.1049 H 1 UNL1 0.2041 @BOND 1 47 26 1 2 56 33 1 3 15 33 ar 4 15 34 ar 5 10 37 2 6 49 27 1 7 54 29 1 8 33 12 ar 9 48 26 1 10 34 37 ar 11 34 30 ar 12 26 27 1 13 26 24 1 14 37 18 ar 15 44 23 1 16 27 50 1 17 27 25 1 18 42 22 1 19 29 53 1 20 29 24 1 21 29 5 1 22 19 17 2 23 12 30 ar 24 12 25 1 25 40 20 1 26 62 6 1 27 13 17 2 28 13 21 1 29 30 16 ar 30 6 1 1 31 2 23 1 32 2 20 1 33 18 39 ar 34 24 3 1 35 24 45 1 36 23 22 1 37 23 11 1 38 25 3 1 39 25 46 1 40 5 1 1 41 22 21 1 42 22 43 1 43 20 21 1 44 20 28 1 45 21 41 1 46 16 39 ar 47 16 58 1 48 39 63 1 49 1 4 1 50 1 7 2 51 8 32 2 52 11 32 ar 53 11 31 ar 54 55 31 1 55 32 14 ar 56 4 28 1 57 28 52 1 58 28 51 1 59 31 35 ar 60 14 57 1 61 14 36 ar 62 35 36 ar 63 35 38 1 64 60 38 1 65 36 9 2 66 38 61 1 67 38 59 1