@MOLECULE 4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.2888 -1.2678 0.2433 C.ar 1 UNL111111111111 0.5673 2 N 5.4412 -1.9178 0.5269 N.pl3 1 UNL111111111111 -0.3702 3 N 4.2583 0.1032 0.3605 N.ar 1 UNL111111111111 -0.6848 4 N 3.1727 -2.0240 -0.0934 N.ar 1 UNL111111111111 -0.6178 5 C 5.5579 -3.3802 0.4470 C.3 1 UNL111111111111 -0.0652 6 C 6.6901 -1.2096 0.8342 C.3 1 UNL111111111111 -0.0647 7 C 3.0379 0.6917 0.1575 C.ar 1 UNL111111111111 0.5786 8 C 2.0276 -1.3425 -0.2578 C.ar 1 UNL111111111111 0.3567 9 C 6.6937 -3.7752 -0.5274 C.3 1 UNL111111111111 -0.1355 10 C 7.8059 -1.6457 -0.1477 C.3 1 UNL111111111111 -0.1342 11 N 1.8828 -0.0035 -0.1345 N.ar 1 UNL111111111111 -0.6556 12 N 2.9945 2.0536 0.2239 N.pl3 1 UNL111111111111 -0.4899 13 S 0.5960 -2.3118 -0.6633 S.3 1 UNL111111111111 0.1278 14 N 7.9458 -3.1184 -0.0883 N.3 1 UNL111111111111 -0.5334 15 C 1.6960 2.7427 0.2155 C.3 1 UNL111111111111 -0.0461 16 C -0.7523 -1.0588 -0.6355 C.3 1 UNL111111111111 -0.3188 17 C 1.9133 4.2554 0.0252 C.3 1 UNL111111111111 -0.2951 18 C -2.0949 -1.7613 -0.4710 C.3 1 UNL111111111111 -0.2492 19 C 0.5721 4.9190 -0.0039 C.ar 1 UNL111111111111 -0.0645 20 C -3.1942 -0.7116 -0.2127 C.3 1 UNL111111111111 -0.2853 21 C -0.0284 5.3319 1.1862 C.ar 1 UNL111111111111 -0.0931 22 C -0.0924 5.0943 -1.2236 C.ar 1 UNL111111111111 -0.0964 23 C -4.5225 -1.3855 -0.0604 C.ar 1 UNL111111111111 0.0063 24 C -1.2931 5.9161 1.1743 C.ar 1 UNL111111111111 -0.3053 25 C -1.3526 5.6749 -1.2622 C.ar 1 UNL111111111111 -0.2422 26 C -4.9756 -1.7653 1.2065 C.ar 1 UNL111111111111 -0.1569 27 C -5.3082 -1.6410 -1.1879 C.ar 1 UNL111111111111 -0.1576 28 C -1.9352 6.0753 -0.0542 C.ar 1 UNL111111111111 0.2848 29 C -6.2087 -2.3971 1.3527 C.ar 1 UNL111111111111 -0.1606 30 C -6.5430 -2.2723 -1.0581 C.ar 1 UNL111111111111 -0.1603 31 O -3.1705 6.6292 -0.1653 O.3 1 UNL111111111111 -0.4737 32 C -6.9655 -2.6363 0.2135 C.ar 1 UNL111111111111 0.0126 33 CL -8.4825 -3.4130 0.3827 Cl 1 UNL111111111111 -0.0927 34 H 5.7853 -3.7626 1.4705 H 1 UNL111111111111 0.1559 35 H 4.5956 -3.8432 0.1217 H 1 UNL111111111111 0.1825 36 H 6.5482 -0.1048 0.7857 H 1 UNL111111111111 0.1747 37 H 6.9835 -1.4639 1.8802 H 1 UNL111111111111 0.1570 38 H 6.8421 -4.8755 -0.4868 H 1 UNL111111111111 0.1445 39 H 6.4070 -3.5162 -1.5688 H 1 UNL111111111111 0.1279 40 H 8.7683 -1.1900 0.1691 H 1 UNL111111111111 0.1434 41 H 7.5769 -1.2706 -1.1684 H 1 UNL111111111111 0.1272 42 H 3.8128 2.5524 0.5452 H 1 UNL111111111111 0.3275 43 H 8.7366 -3.4312 -0.6476 H 1 UNL111111111111 0.2546 44 H 1.1451 2.5382 1.1628 H 1 UNL111111111111 0.1447 45 H 1.0656 2.3309 -0.6114 H 1 UNL111111111111 0.1727 46 H -0.5727 -0.3389 0.1908 H 1 UNL111111111111 0.1807 47 H -0.7175 -0.4626 -1.5661 H 1 UNL111111111111 0.1648 48 H 2.4769 4.4464 -0.9116 H 1 UNL111111111111 0.1618 49 H 2.5451 4.6666 0.8375 H 1 UNL111111111111 0.1496 50 H -2.3520 -2.3538 -1.3715 H 1 UNL111111111111 0.1462 51 H -2.0785 -2.4833 0.3713 H 1 UNL111111111111 0.1538 52 H -3.2185 0.0257 -1.0408 H 1 UNL111111111111 0.1538 53 H -2.9451 -0.1196 0.6930 H 1 UNL111111111111 0.1560 54 H 0.4904 5.1953 2.1346 H 1 UNL111111111111 0.1529 55 H 0.3808 4.7681 -2.1504 H 1 UNL111111111111 0.1583 56 H -1.7632 6.2354 2.0970 H 1 UNL111111111111 0.1599 57 H -1.8887 5.8219 -2.1961 H 1 UNL111111111111 0.1753 58 H -4.3629 -1.5684 2.0854 H 1 UNL111111111111 0.1604 59 H -4.9539 -1.3462 -2.1748 H 1 UNL111111111111 0.1596 60 H -6.5629 -2.6928 2.3394 H 1 UNL111111111111 0.1708 61 H -7.1564 -2.4716 -1.9364 H 1 UNL111111111111 0.1709 62 H -3.5469 6.8848 0.7104 H 1 UNL111111111111 0.3276 @BOND 1 1 2 1 2 1 3 ar 3 1 4 ar 4 2 5 1 5 2 6 1 6 3 7 ar 7 4 8 ar 8 5 9 1 9 5 34 1 10 5 35 1 11 6 10 1 12 6 36 1 13 6 37 1 14 7 11 ar 15 7 12 1 16 8 11 ar 17 8 13 1 18 9 14 1 19 9 38 1 20 9 39 1 21 10 14 1 22 10 40 1 23 10 41 1 24 12 15 1 25 12 42 1 26 13 16 1 27 14 43 1 28 15 17 1 29 15 44 1 30 15 45 1 31 16 18 1 32 16 46 1 33 16 47 1 34 17 19 1 35 17 48 1 36 17 49 1 37 18 20 1 38 18 50 1 39 18 51 1 40 19 21 ar 41 19 22 ar 42 20 23 1 43 20 52 1 44 20 53 1 45 21 24 ar 46 21 54 1 47 22 25 ar 48 22 55 1 49 23 26 ar 50 23 27 ar 51 24 28 ar 52 24 56 1 53 25 28 ar 54 25 57 1 55 26 29 ar 56 26 58 1 57 27 30 ar 58 27 59 1 59 28 31 1 60 29 32 ar 61 29 60 1 62 30 32 ar 63 30 61 1 64 31 62 1 65 32 33 1