@MOLECULE n-(4-methyl-1-piperazinyl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.8592 -2.5690 0.2888 Cl 1 UNL1111111111 -0.0313 2 C -4.8867 -0.8736 0.1564 C.ar 1 UNL1111111111 0.0189 3 C -3.7449 -0.1637 0.5269 C.ar 1 UNL1111111111 -0.0708 4 C -2.5689 -0.8642 1.0425 C.2 1 UNL1111111111 -0.0254 5 C -1.4559 -1.0510 0.3300 C.2 1 UNL1111111111 -0.2460 6 S -1.1363 -0.5096 -1.3187 S.3 1 UNL1111111111 0.1962 7 C 0.5503 -1.1699 -1.3065 C.2 1 UNL1111111111 0.1921 8 N 0.7807 -1.7865 -0.0993 N.am 1 UNL1111111111 -0.4401 9 C 2.0788 -2.3324 0.2845 C.3 1 UNL1111111111 -0.1706 10 C -0.2829 -1.7781 0.8621 C.2 1 UNL1111111111 0.5774 11 O -0.1809 -2.3470 1.9125 O.2 1 UNL1111111111 -0.3904 12 S 1.5584 -1.0459 -2.5664 S.2 1 UNL1111111111 -0.2775 13 C -3.7716 1.2261 0.3991 C.ar 1 UNL1111111111 -0.0072 14 CL -2.3960 2.1065 0.8430 Cl 1 UNL1111111111 0.0176 15 C -4.9093 1.8632 -0.0814 C.ar 1 UNL1111111111 -0.0318 16 CL -4.9429 3.5538 -0.2417 Cl 1 UNL1111111111 -0.0157 17 C -6.0420 1.1396 -0.4441 C.ar 1 UNL1111111111 -0.1241 18 C -6.0310 -0.2491 -0.3252 C.ar 1 UNL1111111111 -0.1580 19 H -2.6594 -1.2463 2.0741 H 1 UNL1111111111 0.2016 20 H 1.9582 -2.9862 1.1904 H 1 UNL1111111111 0.2025 21 H 2.4870 -2.9878 -0.5167 H 1 UNL1111111111 0.1747 22 H -6.9331 1.6492 -0.8204 H 1 UNL1111111111 0.1838 23 H -6.9108 -0.8309 -0.6099 H 1 UNL1111111111 0.1848 24 C 3.0303 -1.1774 0.6684 C.2 1 UNL1111111111 0.5479 25 N 4.1514 -1.0830 -0.1551 N.am 1 UNL1111111111 -0.4847 26 H 4.0941 -1.4206 -1.1146 H 1 UNL1111111111 0.3102 27 N 4.9435 0.0935 0.0252 N.3 1 UNL1111111111 -0.2044 28 C 5.7539 0.3317 -1.2078 C.3 1 UNL1111111111 -0.1619 29 C 6.5940 1.6085 -0.9755 C.3 1 UNL1111111111 -0.1167 30 N 7.5139 1.3613 0.1614 N.3 1 UNL1111111111 -0.4048 31 C 6.7198 1.1185 1.3912 C.3 1 UNL1111111111 -0.1274 32 C 5.8567 -0.1446 1.1873 C.3 1 UNL1111111111 -0.1424 33 C 8.4349 2.5016 0.3488 C.3 1 UNL1111111111 -0.2814 34 O 2.8616 -0.5383 1.6757 O.2 1 UNL1111111111 -0.4539 35 H 6.4241 -0.5173 -1.4607 H 1 UNL1111111111 0.1419 36 H 5.0621 0.4967 -2.0613 H 1 UNL1111111111 0.1457 37 H 7.1972 1.8201 -1.8836 H 1 UNL1111111111 0.1400 38 H 5.9199 2.4770 -0.8090 H 1 UNL1111111111 0.1340 39 H 7.4197 0.9483 2.2367 H 1 UNL1111111111 0.1406 40 H 6.0689 1.9779 1.6640 H 1 UNL1111111111 0.1344 41 H 5.2243 -0.3137 2.0891 H 1 UNL1111111111 0.1679 42 H 6.5016 -1.0365 1.0515 H 1 UNL1111111111 0.1388 43 H 7.9411 3.4556 0.5866 H 1 UNL1111111111 0.1225 44 H 9.1408 2.2596 1.1613 H 1 UNL1111111111 0.1476 45 H 9.0330 2.6348 -0.5680 H 1 UNL1111111111 0.1454 @BOND 1 2 1 1 2 3 2 ar 3 3 4 1 4 4 5 2 5 4 19 1 6 5 10 1 7 6 5 1 8 6 7 1 9 7 12 2 10 7 8 1 11 8 9 1 12 9 20 1 13 9 21 1 14 9 24 1 15 10 8 am 16 10 11 2 17 13 3 ar 18 14 13 1 19 15 13 ar 20 15 17 ar 21 16 15 1 22 17 18 ar 23 17 22 1 24 18 2 ar 25 18 23 1 26 24 25 am 27 24 34 2 28 25 26 1 29 25 27 1 30 27 28 1 31 28 29 1 32 28 35 1 33 28 36 1 34 29 30 1 35 29 37 1 36 29 38 1 37 30 31 1 38 30 33 1 39 31 32 1 40 31 39 1 41 31 40 1 42 32 27 1 43 32 41 1 44 32 42 1 45 33 43 1 46 33 44 1 47 33 45 1