@MOLECULE 2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)cytidine 45 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.6609 2.1952 -0.6509 P.3 1 UNL1 0.3900 2 O 3.2149 1.5753 -2.0300 O.3 1 UNL1 -0.2895 3 O 4.6939 3.2027 -0.7616 O.2 1 UNL1 -0.2024 4 O 2.2621 2.5949 -0.0005 O.3 1 UNL1 -0.3612 5 P 4.3556 -0.3398 0.9906 P.3 1 UNL1 0.3992 6 O 5.2322 -1.1888 -0.0141 O.3 1 UNL1 -0.2772 7 O 4.9360 -0.2369 2.3141 O.2 1 UNL1 -0.2110 8 O 4.1698 1.0482 0.3034 O.3 1 UNL1 -0.3369 9 P 1.5582 -1.4031 -0.0570 P.3 1 UNL1 0.3653 10 O 1.6805 -1.0860 -1.4751 O.2 1 UNL1 -0.2957 11 O 1.2312 -2.9606 0.0876 O.3 1 UNL1 -0.3930 12 N 2.8148 -1.1129 1.0413 N.3 1 UNL1 -0.2928 13 O 0.3821 -0.7019 0.7870 O.3 1 UNL1 -0.3392 14 C -0.9291 -0.4751 0.2552 C.3 1 UNL1 -0.0296 15 C -1.7635 -1.7623 0.2039 C.3 1 UNL1 0.0224 16 O -2.9014 -1.5708 1.0485 O.3 1 UNL1 -0.4382 17 C -2.2859 -2.1256 -1.2053 C.3 1 UNL1 0.1479 18 O -1.9503 -3.4645 -1.5160 O.3 1 UNL1 -0.5778 19 C -3.8198 -2.0896 -1.0918 C.3 1 UNL1 -0.3555 20 C -4.0976 -1.5426 0.3128 C.3 1 UNL1 0.3075 21 N -4.5918 -0.1423 0.3368 N.ar 1 UNL1 -0.5171 22 C -4.1047 0.8652 -0.6046 C.ar 1 UNL1 0.7233 23 N -4.6609 2.1179 -0.5304 N.ar 1 UNL1 -0.6299 24 C -5.5195 2.4350 0.4508 C.ar 1 UNL1 0.5066 25 C -5.8781 1.5080 1.4899 C.ar 1 UNL1 -0.4827 26 C -5.3856 0.2331 1.3885 C.ar 1 UNL1 0.1893 27 O -3.2583 0.5332 -1.3999 O.2 1 UNL1 -0.4962 28 N -6.0512 3.6929 0.4074 N.pl3 1 UNL1 -0.5857 29 H 2.4714 0.8693 -1.8586 H 1 UNL1 0.3416 30 H 2.4027 2.7895 0.9961 H 1 UNL1 0.3199 31 H 4.8420 -1.0946 -0.9655 H 1 UNL1 0.3210 32 H 1.4618 -3.3135 1.0110 H 1 UNL1 0.3103 33 H 2.3870 -0.9204 2.0375 H 1 UNL1 0.3047 34 H -1.3236 0.2130 1.0413 H 1 UNL1 0.1517 35 H -0.9280 0.0761 -0.7091 H 1 UNL1 0.1613 36 H -1.2523 -2.6316 0.6810 H 1 UNL1 0.1687 37 H -1.8939 -1.4723 -2.0168 H 1 UNL1 0.1556 38 H -0.9748 -3.5744 -1.5153 H 1 UNL1 0.3365 39 H -4.2726 -1.4871 -1.8978 H 1 UNL1 0.1844 40 H -4.2301 -3.1115 -1.2113 H 1 UNL1 0.1783 41 H -4.8017 -2.1800 0.9056 H 1 UNL1 0.1373 42 H -6.5092 1.8098 2.3126 H 1 UNL1 0.1853 43 H -5.6231 -0.5306 2.1444 H 1 UNL1 0.1673 44 H -5.7919 4.3203 -0.3326 H 1 UNL1 0.3258 45 H -6.6496 4.0303 1.1257 H 1 UNL1 0.3103 @BOND 1 2 29 1 2 2 1 1 3 37 17 1 4 39 19 1 5 18 38 1 6 18 17 1 7 10 9 2 8 27 22 2 9 40 19 1 10 17 19 1 11 17 15 1 12 19 20 1 13 31 6 1 14 3 1 2 15 35 14 1 16 1 4 1 17 1 8 1 18 22 23 ar 19 22 21 ar 20 23 24 ar 21 44 28 1 22 9 11 1 23 9 13 1 24 9 12 1 25 6 5 1 26 4 30 1 27 11 32 1 28 15 14 1 29 15 36 1 30 15 16 1 31 14 13 1 32 14 34 1 33 8 5 1 34 20 21 1 35 20 41 1 36 20 16 1 37 21 26 ar 38 28 24 1 39 28 45 1 40 24 25 ar 41 5 12 1 42 5 7 2 43 12 33 1 44 26 25 ar 45 26 43 1 46 25 42 1