@MOLECULE 2-{3-[4-(4-chlorophenyl)-1-piperazinyl]propyl}-4-ethyl-5-(1-hydroxyethyl)-2,4-dihydro-3h-1,2,4-triazol-3-one 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 CL -8.2632 -0.8958 -0.6308 Cl 1 UNL1111111111 -0.0950 2 O 5.2962 2.1240 -1.0170 O.2 1 UNL1111111111 -0.4825 3 O 3.3452 -2.8880 0.8155 O.3 1 UNL1111111111 -0.5402 4 N 0.1027 1.0644 0.7340 N.3 1 UNL1111111111 -0.4219 5 N -2.7159 0.6063 0.6759 N.pl3 1 UNL1111111111 -0.4249 6 N 3.3967 0.7242 -1.2522 N.ar 1 UNL1111111111 -0.2847 7 N 5.3160 -0.1726 -0.4800 N.ar 1 UNL1111111111 -0.4678 8 N 3.1411 -0.5871 -0.9033 N.ar 1 UNL1111111111 -0.2564 9 C -0.4887 -0.0473 1.5166 C.3 1 UNL1111111111 -0.1182 10 C -0.8420 2.2034 0.7116 C.3 1 UNL1111111111 -0.1208 11 C -1.7555 -0.5215 0.7662 C.3 1 UNL1111111111 -0.0934 12 C -2.1196 1.7553 -0.0409 C.3 1 UNL1111111111 -0.1062 13 C 1.4366 1.4421 1.2550 C.3 1 UNL1111111111 -0.1137 14 C 2.1684 2.3402 0.2390 C.3 1 UNL1111111111 -0.3151 15 C 2.2851 1.6765 -1.1436 C.3 1 UNL1111111111 -0.0501 16 C -4.0213 0.2276 0.2810 C.ar 1 UNL1111111111 0.2016 17 C 4.7329 1.0711 -0.8757 C.ar 1 UNL1111111111 0.6074 18 C 4.2762 -1.1254 -0.4656 C.ar 1 UNL1111111111 0.1430 19 C -4.7011 -0.7103 1.0888 C.ar 1 UNL1111111111 -0.2189 20 C -4.6901 0.8107 -0.8085 C.ar 1 UNL1111111111 -0.2535 21 C 4.4057 -2.5647 -0.0507 C.3 1 UNL1111111111 0.1938 22 C 6.5466 -0.2479 0.3009 C.3 1 UNL1111111111 -0.0344 23 C -6.0137 -1.0569 0.8069 C.ar 1 UNL1111111111 -0.1153 24 C -6.0104 0.4684 -1.0876 C.ar 1 UNL1111111111 -0.1098 25 C 4.3954 -3.4675 -1.2805 C.3 1 UNL1111111111 -0.4932 26 C -6.6454 -0.4619 -0.2794 C.ar 1 UNL1111111111 -0.0382 27 C 6.2858 -0.1120 1.8025 C.3 1 UNL1111111111 -0.4788 28 H 0.2407 -0.8845 1.5674 H 1 UNL1111111111 0.1429 29 H -0.7465 0.2389 2.5578 H 1 UNL1111111111 0.1279 30 H -0.3797 3.0499 0.1617 H 1 UNL1111111111 0.1390 31 H -1.1092 2.5688 1.7255 H 1 UNL1111111111 0.1278 32 H -2.2181 -1.3666 1.3161 H 1 UNL1111111111 0.1406 33 H -1.4688 -0.8909 -0.2457 H 1 UNL1111111111 0.1430 34 H -1.8617 1.5060 -1.0941 H 1 UNL1111111111 0.1372 35 H -2.8477 2.5954 -0.0469 H 1 UNL1111111111 0.1423 36 H 1.3903 1.9492 2.2413 H 1 UNL1111111111 0.1171 37 H 2.0257 0.5062 1.3971 H 1 UNL1111111111 0.1477 38 H 1.6407 3.3074 0.1295 H 1 UNL1111111111 0.1530 39 H 3.1704 2.6020 0.6316 H 1 UNL1111111111 0.1542 40 H 1.3321 1.1395 -1.3941 H 1 UNL1111111111 0.1967 41 H 2.4628 2.4483 -1.9307 H 1 UNL1111111111 0.1576 42 H -4.1992 -1.1428 1.9534 H 1 UNL1111111111 0.1679 43 H -4.1870 1.5249 -1.4539 H 1 UNL1111111111 0.1626 44 H 5.3029 -2.7370 0.5929 H 1 UNL1111111111 0.1559 45 H 7.2234 0.5722 -0.0527 H 1 UNL1111111111 0.1714 46 H 7.0577 -1.2104 0.0693 H 1 UNL1111111111 0.1457 47 H -6.5370 -1.7803 1.4334 H 1 UNL1111111111 0.1688 48 H -6.5252 0.9251 -1.9346 H 1 UNL1111111111 0.1683 49 H 4.3949 -4.5244 -0.9845 H 1 UNL1111111111 0.1666 50 H 3.5012 -3.2998 -1.8977 H 1 UNL1111111111 0.1714 51 H 5.2682 -3.2933 -1.9204 H 1 UNL1111111111 0.1625 52 H 5.8580 0.8685 2.0490 H 1 UNL1111111111 0.1618 53 H 5.5854 -0.8729 2.1696 H 1 UNL1111111111 0.1606 54 H 7.2163 -0.2142 2.3741 H 1 UNL1111111111 0.1605 55 H 2.4756 -2.6903 0.3963 H 1 UNL1111111111 0.3358 @BOND 1 1 26 1 2 2 17 2 3 3 21 1 4 3 55 1 5 4 9 1 6 4 10 1 7 4 13 1 8 5 11 1 9 5 12 1 10 5 16 1 11 6 8 ar 12 6 15 1 13 6 17 ar 14 7 17 ar 15 7 18 ar 16 7 22 1 17 8 18 ar 18 9 11 1 19 9 28 1 20 9 29 1 21 10 12 1 22 10 30 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 34 1 27 12 35 1 28 13 14 1 29 13 36 1 30 13 37 1 31 14 15 1 32 14 38 1 33 14 39 1 34 15 40 1 35 15 41 1 36 16 19 ar 37 16 20 ar 38 18 21 1 39 19 23 ar 40 19 42 1 41 20 24 ar 42 20 43 1 43 21 25 1 44 21 44 1 45 22 27 1 46 22 45 1 47 22 46 1 48 23 26 ar 49 23 47 1 50 24 26 ar 51 24 48 1 52 25 49 1 53 25 50 1 54 25 51 1 55 27 52 1 56 27 53 1 57 27 54 1