@MOLECULE 5-methyl-4'-thiouridine 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.4414 -0.1605 1.4284 S.3 1 UNL1 -0.0523 2 O -1.2411 2.1086 -1.7487 O.3 1 UNL1 -0.5082 3 O -3.5175 1.6044 -0.4946 O.3 1 UNL1 -0.5346 4 O -2.9848 -2.9633 0.7224 O.3 1 UNL1 -0.5252 5 O 1.5553 2.3643 1.1992 O.2 1 UNL1 -0.4968 6 O 4.7407 -0.5891 -0.0823 O.2 1 UNL1 -0.4626 7 N 0.8495 0.4732 0.1091 N.ar 1 UNL1 -0.4398 8 N 3.1651 0.8811 0.5510 N.ar 1 UNL1 -0.6183 9 C -1.3110 0.8622 -1.1232 C.3 1 UNL1 0.0568 10 C -2.7837 0.4543 -0.8329 C.3 1 UNL1 0.0842 11 C -0.5276 0.9195 0.2118 C.3 1 UNL1 -0.0127 12 C -2.8157 -0.5913 0.2795 C.3 1 UNL1 -0.2830 13 C -2.6955 -2.0134 -0.2735 C.3 1 UNL1 -0.0017 14 C 1.1790 -0.7437 -0.4770 C.ar 1 UNL1 0.0994 15 C 1.8468 1.3191 0.6600 C.ar 1 UNL1 0.7026 16 C 2.4657 -1.1574 -0.5783 C.ar 1 UNL1 -0.2157 17 C 3.5596 -0.3407 -0.0575 C.ar 1 UNL1 0.6004 18 C 2.8544 -2.4405 -1.2108 C.3 1 UNL1 -0.4075 19 H -0.8366 0.1802 -1.8662 H 1 UNL1 0.1594 20 H -3.2993 0.1223 -1.7657 H 1 UNL1 0.1690 21 H -0.5425 1.9820 0.6035 H 1 UNL1 0.2178 22 H -3.7731 -0.5203 0.8579 H 1 UNL1 0.2009 23 H -1.7116 -2.2280 -0.7258 H 1 UNL1 0.1174 24 H -3.4878 -2.2162 -1.0273 H 1 UNL1 0.1531 25 H -2.0128 2.6755 -1.4959 H 1 UNL1 0.3374 26 H -3.3286 1.9141 0.4196 H 1 UNL1 0.3297 27 H 0.3473 -1.3519 -0.8515 H 1 UNL1 0.1696 28 H 3.8922 1.4885 0.9427 H 1 UNL1 0.3502 29 H -2.2765 -2.9953 1.4008 H 1 UNL1 0.3214 30 H 3.4892 -2.2693 -2.0980 H 1 UNL1 0.1703 31 H 1.9989 -3.0474 -1.5295 H 1 UNL1 0.1470 32 H 3.4585 -3.0574 -0.5222 H 1 UNL1 0.1719 @BOND 1 30 18 1 2 19 9 1 3 20 10 1 4 2 25 1 5 2 9 1 6 31 18 1 7 18 16 1 8 18 32 1 9 9 10 1 10 9 11 1 11 24 13 1 12 27 14 1 13 10 3 1 14 10 12 1 15 23 13 1 16 16 14 ar 17 16 17 ar 18 3 26 1 19 14 7 ar 20 13 12 1 21 13 4 1 22 6 17 2 23 17 8 ar 24 7 11 1 25 7 15 ar 26 11 21 1 27 11 1 1 28 12 22 1 29 12 1 1 30 8 15 ar 31 8 28 1 32 15 5 2 33 4 29 1