@MOLECULE 5-azido-1-[2-deoxy-5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-d-erythro-pentofuranosyl]-2,4(1h,3h)-pyrimidinedione 45 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.8543 1.6391 1.3314 P.3 1 UNL1 0.4019 2 P 3.3676 0.1812 -1.3734 P.3 1 UNL1 0.4177 3 P 4.0173 -2.3597 0.1939 P.3 1 UNL1 0.4230 4 O -1.9055 1.9883 0.5735 O.3 1 UNL1 -0.4269 5 O -0.6879 -0.1952 -1.5417 O.3 1 UNL1 -0.5835 6 O 1.2924 1.7363 1.5706 O.3 1 UNL1 -0.1896 7 O -5.4423 2.6914 -0.3480 O.2 1 UNL1 -0.5018 8 O 3.0714 0.8509 0.0113 O.3 1 UNL1 -0.3804 9 O 3.2875 3.1344 1.0116 O.3 1 UNL1 -0.3537 10 O 3.4566 0.9563 2.4616 O.2 1 UNL1 -0.2476 11 O -6.8255 -1.5200 0.6065 O.2 1 UNL1 -0.4578 12 O 3.6859 -1.2883 -0.9411 O.3 1 UNL1 -0.2232 13 O 4.7311 0.8241 -1.8529 O.3 1 UNL1 -0.3058 14 O 2.2958 0.3025 -2.3373 O.2 1 UNL1 -0.2171 15 O 5.1535 -1.7571 1.1139 O.3 1 UNL1 -0.3646 16 O 2.7054 -2.5367 1.0556 O.3 1 UNL1 -0.3371 17 O 4.4214 -3.5455 -0.5261 O.2 1 UNL1 -0.1424 18 N -3.8432 1.0487 -0.2973 N.ar 1 UNL1 -0.4769 19 N -6.1486 0.5781 0.1450 N.ar 1 UNL1 -0.6127 20 N -4.0534 -2.4441 0.7478 N.2 1 UNL1 -0.3898 21 N -4.5610 -3.4890 0.2753 N.2 1 UNL1 0.4394 22 N -4.8714 -4.5510 0.0257 N.2 1 UNL1 -0.1826 23 C -0.6354 1.1941 -1.3042 C.3 1 UNL1 0.1317 24 C -0.6325 1.4338 0.2227 C.3 1 UNL1 0.0302 25 C -1.9772 1.7581 -1.8002 C.3 1 UNL1 -0.3883 26 C -2.7778 2.0570 -0.5263 C.3 1 UNL1 0.3097 27 C 0.3924 2.4697 0.7153 C.3 1 UNL1 -0.0713 28 C -3.5138 -0.2649 -0.0445 C.ar 1 UNL1 0.1674 29 C -5.1728 1.5243 -0.1633 C.ar 1 UNL1 0.7016 30 C -4.4745 -1.1758 0.3085 C.ar 1 UNL1 -0.1690 31 C -5.8864 -0.7943 0.3890 C.ar 1 UNL1 0.5903 32 H 0.2377 1.6313 -1.8286 H 1 UNL1 0.1498 33 H -0.5486 0.4751 0.7879 H 1 UNL1 0.1757 34 H -2.4830 1.0257 -2.4622 H 1 UNL1 0.1948 35 H -1.8424 2.6647 -2.4102 H 1 UNL1 0.1638 36 H -3.2284 3.0837 -0.4831 H 1 UNL1 0.1829 37 H -0.0909 3.1836 1.4260 H 1 UNL1 0.1582 38 H 0.8325 3.0578 -0.1079 H 1 UNL1 0.1427 39 H 0.2258 -0.5601 -1.6119 H 1 UNL1 0.3586 40 H -2.4463 -0.5450 -0.1369 H 1 UNL1 0.2196 41 H -7.1164 0.9092 0.2224 H 1 UNL1 0.3526 42 H 4.0731 3.1185 0.3532 H 1 UNL1 0.3264 43 H 5.5023 0.4252 -1.2953 H 1 UNL1 0.3215 44 H 4.7963 -0.9810 1.6810 H 1 UNL1 0.3324 45 H 2.3660 -1.6251 1.3813 H 1 UNL1 0.3302 @BOND 1 34 25 1 2 35 25 1 3 14 2 2 4 13 2 1 5 13 43 1 6 32 23 1 7 25 23 1 8 25 26 1 9 39 5 1 10 5 23 1 11 2 12 1 12 2 8 1 13 23 24 1 14 12 3 1 15 26 36 1 16 26 18 1 17 26 4 1 18 17 3 2 19 7 29 2 20 18 29 ar 21 18 28 ar 22 29 19 ar 23 40 28 1 24 38 27 1 25 28 30 ar 26 8 1 1 27 22 21 2 28 19 41 1 29 19 31 ar 30 3 16 1 31 3 15 1 32 24 4 1 33 24 27 1 34 24 33 1 35 21 20 2 36 30 31 ar 37 30 20 1 38 42 9 1 39 31 11 2 40 27 37 1 41 27 6 1 42 9 1 1 43 16 45 1 44 15 44 1 45 1 6 1 46 1 10 2