@MOLECULE 5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-5'-deoxythymidine 49 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.5029 0.8188 2.8081 O.2 1 UNL1 -0.5196 2 C 5.5904 1.0387 1.6177 C.ar 1 UNL1 0.7033 3 N 6.2259 2.1714 1.1155 N.ar 1 UNL1 -0.6230 4 C 6.3414 2.4781 -0.2708 C.ar 1 UNL1 0.6055 5 O 6.9174 3.4998 -0.5575 O.2 1 UNL1 -0.4643 6 C 5.7389 1.5045 -1.1758 C.ar 1 UNL1 -0.2360 7 C 5.8354 1.8076 -2.6245 C.3 1 UNL1 -0.4026 8 C 5.1252 0.3958 -0.6964 C.ar 1 UNL1 0.1136 9 N 5.0844 0.1204 0.6675 N.ar 1 UNL1 -0.4932 10 C 4.2740 -1.0005 1.1696 C.3 1 UNL1 0.3286 11 O 2.9609 -0.7955 0.6869 O.3 1 UNL1 -0.4549 12 C 4.7645 -2.3622 0.6441 C.3 1 UNL1 -0.4030 13 C 3.7403 -2.7751 -0.4242 C.3 1 UNL1 0.1216 14 O 4.2330 -2.5104 -1.7200 O.3 1 UNL1 -0.5617 15 C 2.5641 -1.7923 -0.2490 C.3 1 UNL1 0.0587 16 C 1.3193 -2.4673 0.3607 C.3 1 UNL1 -0.1103 17 N 0.3482 -1.4378 0.7492 N.am 1 UNL1 -0.5118 18 C -0.7845 -1.1939 0.0117 C.2 1 UNL1 0.4825 19 S -1.3754 -2.2123 -1.1880 S.2 1 UNL1 -0.5061 20 N -1.4470 -0.0335 0.3777 N.am 1 UNL1 -0.5363 21 C -2.7650 0.2297 -0.1121 C.ar 1 UNL1 0.1566 22 C -3.8438 0.1651 0.7780 C.ar 1 UNL1 -0.1197 23 C -2.9476 0.5825 -1.4562 C.ar 1 UNL1 -0.0768 24 C -4.2296 0.8666 -1.9161 C.ar 1 UNL1 -0.1667 25 C -5.2959 0.8042 -1.0256 C.ar 1 UNL1 0.0535 26 CL -6.8550 1.1555 -1.6055 Cl 1 UNL1 -0.0286 27 C -5.1222 0.4662 0.3144 C.ar 1 UNL1 -0.1473 28 C -6.3117 0.4236 1.2316 C.3 1 UNL1 0.5503 29 F -6.0426 0.1062 2.4971 F 1 UNL1 -0.1979 30 F -6.9544 1.5886 1.3161 F 1 UNL1 -0.1903 31 F -7.2393 -0.4571 0.8590 F 1 UNL1 -0.1833 32 H 6.6173 2.8300 1.7955 H 1 UNL1 0.3484 33 H 6.8881 1.8817 -2.9466 H 1 UNL1 0.1684 34 H 5.3499 1.0527 -3.2563 H 1 UNL1 0.1501 35 H 5.3723 2.7818 -2.8589 H 1 UNL1 0.1705 36 H 4.6466 -0.3490 -1.3529 H 1 UNL1 0.2004 37 H 4.1918 -0.9398 2.2878 H 1 UNL1 0.1847 38 H 5.7862 -2.2992 0.2254 H 1 UNL1 0.1848 39 H 4.8233 -3.0975 1.4647 H 1 UNL1 0.1699 40 H 2.3284 -1.2474 -1.1926 H 1 UNL1 0.1775 41 H 3.4462 -3.8413 -0.3643 H 1 UNL1 0.1342 42 H 4.9247 -3.1509 -1.9792 H 1 UNL1 0.3293 43 H 0.8893 -3.2086 -0.3564 H 1 UNL1 0.1953 44 H 1.5853 -3.0351 1.2842 H 1 UNL1 0.1594 45 H 0.7681 -0.7022 1.3196 H 1 UNL1 0.3187 46 H -1.1689 0.4912 1.2019 H 1 UNL1 0.3154 47 H -3.6688 -0.1329 1.8140 H 1 UNL1 0.1827 48 H -2.0925 0.6287 -2.1362 H 1 UNL1 0.1856 49 H -4.3884 1.1290 -2.9645 H 1 UNL1 0.1840 @BOND 1 34 7 1 2 49 24 1 3 33 7 1 4 35 7 1 5 7 6 1 6 48 23 1 7 42 14 1 8 24 23 ar 9 24 25 ar 10 14 13 1 11 26 25 1 12 23 21 ar 13 36 8 1 14 40 15 1 15 19 18 2 16 6 8 ar 17 6 4 ar 18 25 27 ar 19 8 9 ar 20 5 4 2 21 13 41 1 22 13 15 1 23 13 12 1 24 43 16 1 25 4 3 ar 26 15 16 1 27 15 11 1 28 21 20 1 29 21 22 ar 30 18 20 1 31 18 17 1 32 38 12 1 33 27 22 ar 34 27 28 1 35 16 17 1 36 16 44 1 37 20 46 1 38 12 10 1 39 12 39 1 40 9 10 1 41 9 2 ar 42 11 10 1 43 17 45 1 44 22 47 1 45 31 28 1 46 3 2 ar 47 3 32 1 48 10 37 1 49 28 30 1 50 28 29 1 51 2 1 2