@MOLECULE (4r)-3-(4-[4-(2-chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide 77 81 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.3290 -2.5636 2.8179 C.3 1 UNL1111111111 -0.2230 2 N 2.3124 -3.2059 1.9841 N.am 1 UNL1111111111 -0.5487 3 C 2.4768 -3.2493 0.6246 C.2 1 UNL1111111111 0.5995 4 O 3.4895 -2.8178 0.0930 O.2 1 UNL1111111111 -0.5850 5 C 1.3518 -3.8271 -0.1599 C.ar 1 UNL1111111111 -0.1768 6 C 0.8197 -5.0728 0.1602 C.ar 1 UNL1111111111 -0.1320 7 C -0.2487 -5.5748 -0.5782 C.ar 1 UNL1111111111 -0.1517 8 C -0.7802 -4.8385 -1.6343 C.ar 1 UNL1111111111 -0.1498 9 C -0.2468 -3.5963 -1.9870 C.ar 1 UNL1111111111 0.0576 10 C -0.8184 -2.8253 -3.1213 C.3 1 UNL1111111111 -0.4455 11 C 0.8361 -3.0974 -1.2422 C.ar 1 UNL1111111111 0.1788 12 N 1.4569 -1.8620 -1.6119 N.pl3 1 UNL1111111111 -0.4657 13 C 0.8602 -0.6740 -1.2149 C.ar 1 UNL1111111111 0.5941 14 N 1.6669 0.4311 -1.2795 N.ar 1 UNL1111111111 -0.6874 15 C 1.0964 1.6033 -0.8537 C.ar 1 UNL1111111111 0.5853 16 N -0.1923 1.7278 -0.4247 N.ar 1 UNL1111111111 -0.6690 17 C -0.9459 0.5756 -0.4610 C.ar 1 UNL1111111111 0.5849 18 N -0.4376 -0.6590 -0.8089 N.ar 1 UNL1111111111 -0.6712 19 N -2.2733 0.6601 -0.1716 N.pl3 1 UNL1111111111 -0.3697 20 C -3.0622 -0.5583 0.0781 C.3 1 UNL1111111111 -0.0687 21 C -4.5032 -0.3279 -0.4333 C.3 1 UNL1111111111 -0.1084 22 N -5.0402 0.8644 0.2672 N.pl3 1 UNL1111111111 -0.4218 23 C -4.2801 2.0756 -0.1078 C.3 1 UNL1111111111 -0.1178 24 C -2.8344 1.8868 0.4180 C.3 1 UNL1111111111 -0.0629 25 C -6.4569 0.9774 0.1811 C.ar 1 UNL1111111111 0.1469 26 C -7.1266 1.8289 -0.7075 C.ar 1 UNL1111111111 -0.2245 27 C -8.5154 1.9258 -0.6710 C.ar 1 UNL1111111111 -0.1180 28 C -9.2558 1.1787 0.2428 C.ar 1 UNL1111111111 -0.1626 29 C -8.6065 0.3269 1.1353 C.ar 1 UNL1111111111 -0.1441 30 C -7.2237 0.2372 1.0933 C.ar 1 UNL1111111111 -0.0328 31 CL -6.4474 -0.7968 2.2081 Cl 1 UNL1111111111 -0.0622 32 N 1.8826 2.7379 -0.9121 N.pl3 1 UNL1111111111 -0.3920 33 C 1.5131 3.8862 -0.0807 C.3 1 UNL1111111111 -0.1118 34 S 2.8096 5.1416 -0.4374 S.3 1 UNL1111111111 0.0097 35 C 4.0599 3.8864 -0.9318 C.3 1 UNL1111111111 -0.3465 36 C 3.3291 2.5595 -1.1523 C.3 1 UNL1111111111 0.0252 37 C 3.9185 1.5031 -0.1883 C.2 1 UNL1111111111 0.5708 38 O 3.7794 1.5859 1.0183 O.2 1 UNL1111111111 -0.5696 39 N 4.6794 0.5167 -0.7674 N.am 1 UNL1111111111 -0.5398 40 C 5.2220 -0.5547 0.0601 C.3 1 UNL1111111111 -0.1433 41 C 6.5240 -0.1279 0.7458 C.2 1 UNL1111111111 0.5280 42 O 7.5890 -0.6761 0.5495 O.2 1 UNL1111111111 -0.5296 43 N 6.4371 1.0079 1.5394 N.am 1 UNL1111111111 -0.4021 44 O 7.4672 1.2081 2.4608 O.3 1 UNL1111111111 -0.2915 45 H 4.3430 -2.7577 2.4166 H 1 UNL1111111111 0.1688 46 H 3.1791 -1.4671 2.8478 H 1 UNL1111111111 0.1526 47 H 3.2859 -2.9567 3.8462 H 1 UNL1111111111 0.1426 48 H 1.4502 -3.4759 2.4237 H 1 UNL1111111111 0.3135 49 H 1.2395 -5.6557 0.9788 H 1 UNL1111111111 0.1563 50 H -0.6705 -6.5467 -0.3289 H 1 UNL1111111111 0.1519 51 H -1.6223 -5.2378 -2.1981 H 1 UNL1111111111 0.1539 52 H -1.4042 -1.9652 -2.7446 H 1 UNL1111111111 0.1853 53 H -0.0296 -2.3964 -3.7612 H 1 UNL1111111111 0.1731 54 H -1.4773 -3.4209 -3.7619 H 1 UNL1111111111 0.1481 55 H 2.4903 -1.8626 -1.5686 H 1 UNL1111111111 0.3515 56 H -2.6091 -1.4364 -0.4411 H 1 UNL1111111111 0.1793 57 H -3.0736 -0.7863 1.1694 H 1 UNL1111111111 0.1574 58 H -4.5063 -0.2031 -1.5381 H 1 UNL1111111111 0.1345 59 H -5.1247 -1.2184 -0.2018 H 1 UNL1111111111 0.1525 60 H -4.2652 2.2643 -1.2015 H 1 UNL1111111111 0.1341 61 H -4.7357 2.9613 0.3854 H 1 UNL1111111111 0.1494 62 H -2.8365 1.8082 1.5301 H 1 UNL1111111111 0.1556 63 H -2.2147 2.7734 0.1442 H 1 UNL1111111111 0.1778 64 H -6.5644 2.4118 -1.4340 H 1 UNL1111111111 0.1640 65 H -9.0267 2.5879 -1.3701 H 1 UNL1111111111 0.1571 66 H -10.3411 1.2601 0.2629 H 1 UNL1111111111 0.1600 67 H -9.1823 -0.2527 1.8581 H 1 UNL1111111111 0.1715 68 H 0.5051 4.2561 -0.3781 H 1 UNL1111111111 0.1844 69 H 1.4867 3.6344 1.0032 H 1 UNL1111111111 0.1709 70 H 4.5705 4.2298 -1.8477 H 1 UNL1111111111 0.1709 71 H 4.8316 3.8101 -0.1388 H 1 UNL1111111111 0.1863 72 H 3.4270 2.2167 -2.2222 H 1 UNL1111111111 0.1799 73 H 4.6651 0.3553 -1.7634 H 1 UNL1111111111 0.3239 74 H 4.4811 -0.8815 0.8362 H 1 UNL1111111111 0.1909 75 H 5.4211 -1.4636 -0.5625 H 1 UNL1111111111 0.1957 76 H 5.5757 1.3367 1.9622 H 1 UNL1111111111 0.3438 77 H 8.3146 1.0384 1.9373 H 1 UNL1111111111 0.3076 @BOND 1 1 2 1 2 1 45 1 3 1 46 1 4 1 47 1 5 2 3 am 6 2 48 1 7 3 4 2 8 3 5 1 9 5 6 ar 10 5 11 ar 11 6 7 ar 12 6 49 1 13 7 8 ar 14 7 50 1 15 8 9 ar 16 8 51 1 17 9 10 1 18 9 11 ar 19 10 52 1 20 10 53 1 21 10 54 1 22 11 12 1 23 12 13 1 24 12 55 1 25 13 14 ar 26 13 18 ar 27 14 15 ar 28 15 16 ar 29 15 32 1 30 16 17 ar 31 17 18 ar 32 17 19 1 33 19 20 1 34 19 24 1 35 20 21 1 36 20 56 1 37 20 57 1 38 21 22 1 39 21 58 1 40 21 59 1 41 22 23 1 42 22 25 1 43 23 24 1 44 23 60 1 45 23 61 1 46 24 62 1 47 24 63 1 48 25 26 ar 49 25 30 ar 50 26 27 ar 51 26 64 1 52 27 28 ar 53 27 65 1 54 28 29 ar 55 28 66 1 56 29 30 ar 57 29 67 1 58 30 31 1 59 32 33 1 60 32 36 1 61 33 34 1 62 33 68 1 63 33 69 1 64 34 35 1 65 35 36 1 66 35 70 1 67 35 71 1 68 36 37 1 69 36 72 1 70 37 38 2 71 37 39 am 72 39 40 1 73 39 73 1 74 40 41 1 75 40 74 1 76 40 75 1 77 41 42 2 78 41 43 am 79 43 44 1 80 43 76 1 81 44 77 1