@MOLECULE 5-azido-1-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-d-ribofuranosyl]-2,4(1h,3h)-pyrimidinedione 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.1190 -1.7093 -0.4632 P.3 1 UNL1 0.3891 2 P 4.5591 0.7145 0.7772 P.3 1 UNL1 0.4127 3 P 2.1688 2.4859 -0.0206 P.3 1 UNL1 0.4100 4 O -0.7764 -0.3833 0.5997 O.3 1 UNL1 -0.4358 5 O -2.0376 -3.2548 0.6305 O.3 1 UNL1 -0.5663 6 O -2.1502 -2.5005 -1.8804 O.3 1 UNL1 -0.5226 7 O 1.5965 -1.6284 0.0040 O.3 1 UNL1 -0.3089 8 O -2.2679 1.3127 -2.5211 O.2 1 UNL1 -0.4721 9 O 3.9024 -0.6843 0.4256 O.3 1 UNL1 -0.3197 10 O 3.7111 -3.0603 0.1319 O.3 1 UNL1 -0.3245 11 O 3.0728 -1.6129 -1.9089 O.2 1 UNL1 -0.2243 12 O -6.2667 1.7378 -0.4165 O.2 1 UNL1 -0.4627 13 O 3.5527 1.8030 0.3084 O.3 1 UNL1 -0.2797 14 O 5.7436 0.9172 -0.2485 O.3 1 UNL1 -0.2823 15 O 4.9696 0.6589 2.1608 O.2 1 UNL1 -0.1501 16 O 1.7321 1.9538 -1.4511 O.3 1 UNL1 -0.3623 17 O 1.1358 1.9583 1.0507 O.3 1 UNL1 -0.3331 18 O 2.3913 3.9143 0.0164 O.2 1 UNL1 -0.1420 19 N -2.6496 -0.0327 -0.7099 N.ar 1 UNL1 -0.4916 20 N -4.3038 1.5078 -1.5084 N.ar 1 UNL1 -0.6055 21 N -5.5781 -0.3884 1.4533 N.2 1 UNL1 -0.3942 22 N -6.5463 0.2904 1.8759 N.2 1 UNL1 0.4470 23 N -7.4531 0.7156 2.4042 N.2 1 UNL1 -0.1510 24 C -0.8293 -2.7321 0.1278 C.3 1 UNL1 0.0639 25 C -1.0690 -1.9504 -1.1916 C.3 1 UNL1 0.0399 26 C -0.4024 -1.6580 1.1385 C.3 1 UNL1 0.0544 27 C -1.2344 -0.4722 -0.7277 C.3 1 UNL1 0.2605 28 C 1.1214 -1.6191 1.3549 C.3 1 UNL1 -0.0505 29 C -3.4799 -0.3993 0.3393 C.ar 1 UNL1 0.1117 30 C -3.0204 0.9709 -1.6390 C.ar 1 UNL1 0.6893 31 C -4.7310 0.1335 0.4525 C.ar 1 UNL1 -0.1277 32 C -5.2031 1.1667 -0.4793 C.ar 1 UNL1 0.5764 33 H -0.1081 -3.5659 0.0108 H 1 UNL1 0.1584 34 H -0.2190 -2.0576 -1.9073 H 1 UNL1 0.1875 35 H -0.9531 -1.7363 2.1026 H 1 UNL1 0.1645 36 H -0.6190 0.2535 -1.3262 H 1 UNL1 0.1954 37 H 1.4522 -2.4999 1.9386 H 1 UNL1 0.1300 38 H 1.4170 -0.6911 1.8899 H 1 UNL1 0.1605 39 H -2.5051 -3.7668 -0.0701 H 1 UNL1 0.3427 40 H -2.9942 -2.0550 -1.6424 H 1 UNL1 0.3300 41 H -3.0947 -1.1635 1.0381 H 1 UNL1 0.2208 42 H -4.5864 2.2252 -2.1893 H 1 UNL1 0.3574 43 H 4.3581 -2.8230 0.9031 H 1 UNL1 0.3291 44 H 5.3552 1.1455 -1.1794 H 1 UNL1 0.3230 45 H 1.8815 0.9523 -1.5460 H 1 UNL1 0.3274 46 H 0.6850 1.0907 0.7402 H 1 UNL1 0.3254 @BOND 1 8 30 2 2 42 20 1 3 11 1 2 4 34 25 1 5 6 40 1 6 6 25 1 7 30 20 ar 8 30 19 ar 9 45 16 1 10 20 32 ar 11 16 3 1 12 36 27 1 13 25 27 1 14 25 24 1 15 44 14 1 16 27 19 1 17 27 4 1 18 19 29 ar 19 32 12 2 20 32 31 ar 21 1 7 1 22 1 10 1 23 1 9 1 24 14 2 1 25 39 5 1 26 3 18 2 27 3 13 1 28 3 17 1 29 7 28 1 30 33 24 1 31 24 5 1 32 24 26 1 33 10 43 1 34 13 2 1 35 29 31 ar 36 29 41 1 37 9 2 1 38 31 21 1 39 4 26 1 40 46 17 1 41 2 15 2 42 26 28 1 43 26 35 1 44 28 38 1 45 28 37 1 46 21 22 2 47 22 23 2