@MOLECULE 2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl)cytidine 28 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.2184 3.2977 -1.1038 S.2 1 UNL1 -0.1573 2 P -1.3209 0.0067 -1.7062 P.3 2 UNL2 0.4413 3 P -3.6250 1.0308 0.1586 P.3 2 UNL2 0.3865 4 P -3.6228 -1.7691 1.3072 P.3 2 UNL2 0.4088 5 O 2.3374 0.4388 -0.0726 O.2 2 UNL2 -0.4719 6 O 2.3812 -1.9239 -2.4560 O.2 2 UNL2 -0.3443 7 O -0.5574 -0.8405 -0.5817 O.3 2 UNL2 -0.2388 8 O -2.5888 0.5122 -1.1376 O.3 2 UNL2 0.0288 9 O 3.7378 -0.4708 2.2343 O.2 1 UNL1 -0.3017 10 O -0.7047 -0.0755 -2.9979 O.2 2 UNL2 -0.1717 11 O -3.6752 -0.2295 1.1093 O.3 2 UNL2 -0.2278 12 O -4.5115 1.0075 -1.0133 O.2 2 UNL2 -0.1561 13 O -3.1985 2.0956 1.0290 O.3 2 UNL2 -0.1911 14 O -4.0369 -2.0527 2.6535 O.2 2 UNL2 -0.2112 15 O -2.4415 -2.4367 0.5158 O.3 2 UNL2 -0.0545 16 O -3.9429 -2.6238 0.0273 O.3 2 UNL2 -0.0966 17 N 6.4038 -1.9666 0.0808 N.1 2 UNL2 -0.4905 18 N 3.6264 1.9125 2.1542 N.2 1 UNL1 -0.6613 19 N 2.1899 3.1755 0.8141 N.2 1 UNL1 -0.5777 20 C 2.7958 -1.4611 -1.4230 C.2 2 UNL2 0.4054 21 C 1.8953 -0.5760 -0.5566 C.2 2 UNL2 0.1911 22 C 4.0924 -1.6681 -0.8966 C.1 2 UNL2 -0.2551 23 C 5.2074 -1.8161 -0.4310 C.1 2 UNL2 0.2387 24 C 0.5534 -1.1490 -0.1374 C.3 2 UNL2 0.3709 25 C 7.4916 -2.0981 0.5558 C.1 2 UNL2 0.4259 26 C 3.5962 0.6801 2.1087 C.1 1 UNL1 0.6600 27 C 1.3304 3.1797 -0.0287 C.1 1 UNL1 0.3797 28 C 3.2139 3.1437 1.7383 C.3 1 UNL1 0.6702 @BOND 1 10 2 2 2 6 20 2 3 2 8 1 4 2 7 1 5 20 22 1 6 20 21 1 7 8 3 1 8 1 27 2 9 12 3 2 10 22 23 3 11 7 24 1 12 21 24 1 13 21 5 2 14 23 17 1 15 27 19 2 16 16 15 1 17 16 4 1 18 17 25 3 19 3 13 1 20 3 11 1 21 15 4 1 22 19 28 1 23 11 4 1 24 4 14 2 25 28 18 1 26 26 18 2 27 26 9 2