@MOLECULE 2'-deoxy-4'-thiocytidine 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.3805 0.0413 1.2453 S.3 1 UNL1 -0.0384 2 O 3.0788 -2.0380 -0.5149 O.3 1 UNL1 -0.5416 3 O 3.3064 2.5300 0.5644 O.3 1 UNL1 -0.5281 4 O -1.9285 -2.2196 0.7715 O.2 1 UNL1 -0.4652 5 N -0.9968 -0.3036 -0.0436 N.ar 1 UNL1 -0.4771 6 N -3.3943 -0.5265 0.2568 N.ar 1 UNL1 -0.6187 7 N -4.8109 1.2027 -0.2926 N.pl3 1 UNL1 -0.5850 8 C 2.5816 -0.8150 -1.0178 C.3 1 UNL1 0.1531 9 C 1.0740 -0.9142 -1.3013 C.3 1 UNL1 -0.3813 10 C 2.8255 0.1918 0.1140 C.3 1 UNL1 -0.2424 11 C 0.3230 -0.9143 0.0371 C.3 1 UNL1 0.0458 12 C 3.0079 1.6014 -0.4489 C.3 1 UNL1 -0.0088 13 C -1.1611 0.9760 -0.4981 C.ar 1 UNL1 0.1860 14 C -2.1601 -1.1062 0.3721 C.ar 1 UNL1 0.7114 15 C -2.4117 1.5297 -0.6099 C.ar 1 UNL1 -0.4833 16 C -3.5333 0.7241 -0.2116 C.ar 1 UNL1 0.5081 17 H 3.1595 -0.5673 -1.9369 H 1 UNL1 0.1262 18 H 0.7523 -0.0826 -1.9569 H 1 UNL1 0.1598 19 H 0.8372 -1.8344 -1.8719 H 1 UNL1 0.1712 20 H 0.2098 -1.9729 0.4251 H 1 UNL1 0.2142 21 H 3.7356 -0.0994 0.6995 H 1 UNL1 0.2035 22 H 2.1417 1.9507 -1.0392 H 1 UNL1 0.1131 23 H 3.9159 1.6555 -1.0880 H 1 UNL1 0.1485 24 H 2.8307 -2.7900 -1.0883 H 1 UNL1 0.3205 25 H -0.2672 1.5531 -0.7757 H 1 UNL1 0.1671 26 H 2.5404 2.6593 1.1659 H 1 UNL1 0.3211 27 H -2.5537 2.5369 -0.9724 H 1 UNL1 0.1839 28 H -5.0027 2.1209 -0.6226 H 1 UNL1 0.3102 29 H -5.5809 0.6284 -0.0006 H 1 UNL1 0.3265 @BOND 1 18 9 1 2 17 8 1 3 19 9 1 4 9 8 1 5 9 11 1 6 24 2 1 7 23 12 1 8 22 12 1 9 8 2 1 10 8 10 1 11 27 15 1 12 25 13 1 13 28 7 1 14 15 13 ar 15 15 16 ar 16 13 5 ar 17 12 10 1 18 12 3 1 19 7 16 1 20 7 29 1 21 16 6 ar 22 5 11 1 23 5 14 ar 24 11 20 1 25 11 1 1 26 10 21 1 27 10 1 1 28 6 14 ar 29 14 4 2 30 3 26 1