@MOLECULE 5-methylaminomethyl-2-thiouridine 38 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.5031 -3.3095 -0.5583 S.2 1 UNL1 -0.5717 2 O4* -1.5873 0.8718 -1.0221 O.3 1 UNL1 -0.4281 3 O2* -3.1405 -1.6046 0.8479 O.3 1 UNL1 -0.5613 4 O3* -4.5262 0.5083 0.4372 O.3 1 UNL1 -0.5406 5 O5* -1.6078 3.7724 -0.9013 O.3 1 UNL1 -0.5390 6 O 3.9147 -1.3210 0.2191 O.2 1 UNL1 -0.6648 7 N -0.0268 -0.6656 -0.2278 N.ar 1 UNL1 -0.3212 8 N 1.8289 -2.1242 -0.1251 N.ar 1 UNL1 -0.5346 9 N 4.1441 1.3917 -0.1783 N.4 1 UNL1 -0.2153 10 C2* -2.2885 -0.4944 0.8307 C.3 1 UNL1 0.0423 11 C1* -1.4643 -0.4290 -0.4886 C.3 1 UNL1 0.2406 12 C3* -3.1920 0.7647 0.7838 C.3 1 UNL1 0.0930 13 C4* -2.5861 1.6330 -0.3386 C.3 1 UNL1 0.0158 14 C5* -1.9200 2.9117 0.1740 C.3 1 UNL1 -0.0427 15 C 0.7785 0.4282 0.0978 C.ar 1 UNL1 -0.1257 16 C 0.4699 -1.9359 -0.2974 C.ar 1 UNL1 0.4303 17 C 2.1415 0.2186 0.3888 C.ar 1 UNL1 -0.5143 18 C 3.0114 1.2748 0.8925 C.3 1 UNL1 -0.0363 19 C 2.7086 -1.0632 0.1960 C.ar 1 UNL1 0.6399 20 C 5.0963 2.5067 0.0989 C.3 1 UNL1 -0.3413 21 H2* -1.6437 -0.5241 1.7346 H 1 UNL1 0.1527 22 H1* -1.8425 -1.1129 -1.2959 H 1 UNL1 0.1956 23 H3* -3.2505 1.2818 1.7639 H 1 UNL1 0.1452 24 H4* -3.3433 1.8595 -1.1286 H 1 UNL1 0.1819 25 H5*1 -0.9935 2.7046 0.7397 H 1 UNL1 0.1231 26 H5*2 -2.6069 3.5160 0.7984 H 1 UNL1 0.1522 27 H 0.3301 1.4062 0.1127 H 1 UNL1 0.1650 28 H2* -2.6378 -2.4423 0.6527 H 1 UNL1 0.3693 29 H3* -4.6825 -0.4570 0.2989 H 1 UNL1 0.3535 30 H 3.5139 1.0147 1.8518 H 1 UNL1 0.1551 31 H 2.5106 2.2554 1.0064 H 1 UNL1 0.1460 32 H 2.2219 -3.0675 -0.2336 H 1 UNL1 0.3564 33 H5* -1.1374 3.2706 -1.6015 H 1 UNL1 0.3233 34 H 3.6920 1.5001 -1.1067 H 1 UNL1 0.2920 35 H 4.6303 0.4472 -0.1807 H 1 UNL1 0.3392 36 H 5.6467 2.3259 1.0400 H 1 UNL1 0.1792 37 H 5.8395 2.6046 -0.7111 H 1 UNL1 0.1705 38 H 4.5637 3.4687 0.1954 H 1 UNL1 0.1749 @BOND 1 33 5 1 2 22 11 1 3 24 13 1 4 34 9 1 5 2 11 1 6 2 13 1 7 5 14 1 8 37 20 1 9 1 16 2 10 11 7 1 11 11 10 1 12 13 14 1 13 13 12 1 14 16 7 ar 15 16 8 ar 16 32 8 1 17 7 15 ar 18 35 9 1 19 9 20 1 20 9 18 1 21 8 19 ar 22 15 27 1 23 15 17 ar 24 20 38 1 25 20 36 1 26 14 25 1 27 14 26 1 28 19 6 2 29 19 17 ar 30 29 4 1 31 17 18 1 32 4 12 1 33 28 3 1 34 12 10 1 35 12 23 1 36 10 3 1 37 10 21 1 38 18 31 1 39 18 30 1