@MOLECULE [4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}methyl)phenyl]boronic acid 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.1764 -0.3237 0.9923 C.ar 1 UNL111111111 -0.1493 2 C -5.7798 -1.5311 0.6628 C.ar 1 UNL111111111 -0.0151 3 CL -6.2829 -2.5565 1.9231 Cl 1 UNL111111111 -0.0323 4 C -5.9656 -1.8928 -0.6652 C.ar 1 UNL111111111 -0.0187 5 CL -6.7020 -3.3722 -1.0685 Cl 1 UNL111111111 -0.0354 6 C -5.5536 -1.0522 -1.6940 C.ar 1 UNL111111111 -0.1467 7 C -4.9439 0.1589 -1.3759 C.ar 1 UNL111111111 -0.1301 8 C -4.7503 0.5186 -0.0384 C.ar 1 UNL111111111 -0.0148 9 C -4.1069 1.7886 0.3010 C.2 1 UNL111111111 -0.0612 10 C -2.8207 2.0559 0.0815 C.2 1 UNL111111111 -0.2558 11 S -1.6092 1.0020 -0.6421 S.3 1 UNL111111111 0.0487 12 C -2.1909 3.3849 0.4454 C.2 1 UNL111111111 0.5831 13 O -2.7831 4.2842 0.9728 O.2 1 UNL111111111 -0.3932 14 N -0.8241 3.4392 0.0960 N.am 1 UNL111111111 -0.6073 15 C -0.3603 2.3573 -0.4878 C.2 1 UNL111111111 0.3523 16 N 0.8607 2.2707 -1.0762 N.pl3 1 UNL111111111 -0.3562 17 C 1.8320 3.3580 -0.8163 C.3 1 UNL111111111 -0.0882 18 C 2.7027 3.0224 0.4153 C.3 1 UNL111111111 -0.1484 19 C 1.5401 0.9765 -1.2601 C.3 1 UNL111111111 -0.0908 20 C 2.4245 0.6429 -0.0339 C.3 1 UNL111111111 -0.1528 21 N 3.4033 1.7415 0.1513 N.3 1 UNL111111111 -0.4216 22 C 4.3583 1.4270 1.2434 C.3 1 UNL111111111 -0.1359 23 C 5.2852 0.3147 0.8249 C.ar 1 UNL111111111 0.0039 24 C 5.8347 0.3037 -0.4584 C.ar 1 UNL111111111 -0.1733 25 C 6.7269 -0.7011 -0.8254 C.ar 1 UNL111111111 -0.1165 26 C 7.0710 -1.6899 0.0953 C.ar 1 UNL111111111 -0.0623 27 B 8.0821 -2.8009 -0.3039 B 1 UNL111111111 0.4877 28 O 8.6230 -2.7722 -1.5865 O.3 1 UNL111111111 -0.5657 29 O 8.4022 -3.7705 0.6422 O.3 1 UNL111111111 -0.5656 30 C 6.5216 -1.6841 1.3761 C.ar 1 UNL111111111 -0.1090 31 C 5.6248 -0.6815 1.7418 C.ar 1 UNL111111111 -0.2054 32 H -5.0280 -0.0363 2.0359 H 1 UNL111111111 0.1853 33 H -5.7016 -1.3337 -2.7383 H 1 UNL111111111 0.1772 34 H -4.6198 0.8294 -2.1743 H 1 UNL111111111 0.1748 35 H -4.7630 2.5400 0.7717 H 1 UNL111111111 0.1948 36 H 2.4664 3.4640 -1.7259 H 1 UNL111111111 0.1610 37 H 1.2985 4.3263 -0.6637 H 1 UNL111111111 0.1824 38 H 3.4623 3.8217 0.5548 H 1 UNL111111111 0.1515 39 H 2.0750 3.0026 1.3324 H 1 UNL111111111 0.1392 40 H 0.8288 0.1522 -1.4653 H 1 UNL111111111 0.1550 41 H 2.1836 1.0706 -2.1707 H 1 UNL111111111 0.1710 42 H 1.7950 0.4617 0.8624 H 1 UNL111111111 0.1318 43 H 2.9905 -0.2963 -0.2314 H 1 UNL111111111 0.1627 44 H 4.9753 2.3387 1.4393 H 1 UNL111111111 0.1565 45 H 3.8451 1.1856 2.2009 H 1 UNL111111111 0.1280 46 H 5.5569 1.0831 -1.1680 H 1 UNL111111111 0.1678 47 H 7.1543 -0.7055 -1.8297 H 1 UNL111111111 0.1616 48 H 9.2483 -3.4378 -1.8537 H 1 UNL111111111 0.3314 49 H 9.0209 -4.4607 0.4267 H 1 UNL111111111 0.3316 50 H 6.7898 -2.4590 2.0972 H 1 UNL111111111 0.1624 51 H 5.1967 -0.6791 2.7407 H 1 UNL111111111 0.1500 @BOND 1 1 2 ar 2 1 8 ar 3 1 32 1 4 2 3 1 5 2 4 ar 6 4 5 1 7 4 6 ar 8 6 7 ar 9 6 33 1 10 7 8 ar 11 7 34 1 12 8 9 1 13 9 10 2 14 9 35 1 15 10 11 1 16 10 12 1 17 11 15 1 18 12 13 2 19 12 14 1 20 14 15 2 21 15 16 1 22 16 17 1 23 16 19 1 24 17 18 1 25 17 36 1 26 17 37 1 27 18 21 1 28 18 38 1 29 18 39 1 30 19 20 1 31 19 40 1 32 19 41 1 33 20 21 1 34 20 42 1 35 20 43 1 36 21 22 1 37 22 23 1 38 22 44 1 39 22 45 1 40 23 24 ar 41 23 31 ar 42 24 25 ar 43 24 46 1 44 25 26 ar 45 25 47 1 46 26 30 ar 47 26 27 1 48 27 28 1 49 27 29 1 50 28 48 1 51 29 49 1 52 30 31 ar 53 30 50 1 54 31 51 1