@MOLECULE 2-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2h)-one 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.8023 -2.5073 -0.1153 Cl 1 UNL1111111111 -0.1035 2 O 5.4667 2.0906 -0.5110 O.2 1 UNL1111111111 -0.4955 3 N -0.0476 1.1035 0.4766 N.3 1 UNL1111111111 -0.4245 4 N -2.8712 0.6680 0.3445 N.pl3 1 UNL1111111111 -0.4282 5 N 5.3986 -0.2313 -0.1672 N.ar 1 UNL1111111111 -0.4868 6 N 3.6222 0.7235 -1.1297 N.ar 1 UNL1111111111 -0.2894 7 N 3.3190 -0.6161 -0.9189 N.ar 1 UNL1111111111 -0.2942 8 C -0.9846 1.9604 1.2376 C.3 1 UNL1111111111 -0.1208 9 C -0.5914 -0.2706 0.3739 C.3 1 UNL1111111111 -0.1208 10 C 1.3087 1.1189 1.0773 C.3 1 UNL1111111111 -0.1155 11 C -2.3294 2.0370 0.4721 C.3 1 UNL1111111111 -0.0990 12 C -1.9317 -0.2039 -0.3969 C.3 1 UNL1111111111 -0.0904 13 C 2.1490 2.1637 0.3184 C.3 1 UNL1111111111 -0.3070 14 C 2.5040 1.6760 -1.0957 C.3 1 UNL1111111111 -0.0432 15 C 6.7023 -0.5123 0.4182 C.3 1 UNL1111111111 -0.0358 16 C 4.4004 -1.1965 -0.4023 C.ar 1 UNL1111111111 0.2462 17 C 6.6749 -1.8787 1.1273 C.3 1 UNL1111111111 -0.2944 18 C 4.5716 -2.6264 -0.0542 C.3 1 UNL1111111111 -0.2674 19 C 6.0497 -2.9437 0.2180 C.3 1 UNL1111111111 -0.2572 20 C 4.8919 1.0331 -0.5573 C.ar 1 UNL1111111111 0.6118 21 C -4.2352 0.5206 0.0510 C.ar 1 UNL1111111111 0.2518 22 C -4.7851 -0.7806 0.0515 C.ar 1 UNL1111111111 -0.2960 23 C -5.0984 1.6202 -0.1301 C.ar 1 UNL1111111111 -0.2982 24 C -6.1489 -0.9201 -0.1194 C.ar 1 UNL1111111111 0.1062 25 C -6.4665 1.4289 -0.2917 C.ar 1 UNL1111111111 -0.0501 26 C -7.0177 0.1488 -0.2922 C.ar 1 UNL1111111111 -0.2590 27 H -0.5506 2.9803 1.3137 H 1 UNL1111111111 0.1390 28 H -1.1666 1.5933 2.2707 H 1 UNL1111111111 0.1278 29 H -0.7446 -0.7547 1.3607 H 1 UNL1111111111 0.1263 30 H 0.1304 -0.8926 -0.2035 H 1 UNL1111111111 0.1559 31 H 1.2983 1.3502 2.1622 H 1 UNL1111111111 0.1189 32 H 1.7876 0.1196 0.9806 H 1 UNL1111111111 0.1478 33 H -3.0362 2.6660 1.0560 H 1 UNL1111111111 0.1418 34 H -2.1739 2.5163 -0.5195 H 1 UNL1111111111 0.1386 35 H -1.7519 0.1871 -1.4248 H 1 UNL1111111111 0.1425 36 H -2.3500 -1.2265 -0.4983 H 1 UNL1111111111 0.1430 37 H 1.5827 3.1131 0.2362 H 1 UNL1111111111 0.1589 38 H 3.0649 2.4055 0.8894 H 1 UNL1111111111 0.1508 39 H 1.6116 1.1950 -1.5706 H 1 UNL1111111111 0.1867 40 H 2.8105 2.5356 -1.7395 H 1 UNL1111111111 0.1586 41 H 6.9695 0.3062 1.1281 H 1 UNL1111111111 0.1578 42 H 7.4717 -0.5033 -0.3914 H 1 UNL1111111111 0.1505 43 H 6.1065 -1.8068 2.0749 H 1 UNL1111111111 0.1531 44 H 7.7043 -2.1671 1.4116 H 1 UNL1111111111 0.1526 45 H 3.9502 -2.8715 0.8362 H 1 UNL1111111111 0.1695 46 H 4.1762 -3.2696 -0.8725 H 1 UNL1111111111 0.1757 47 H 6.1404 -3.9450 0.6787 H 1 UNL1111111111 0.1460 48 H 6.6065 -2.9990 -0.7386 H 1 UNL1111111111 0.1520 49 H -4.1493 -1.6479 0.2158 H 1 UNL1111111111 0.1805 50 H -4.7050 2.6316 -0.1581 H 1 UNL1111111111 0.1615 51 H -7.1172 2.2941 -0.4274 H 1 UNL1111111111 0.1515 52 H -8.0857 0.0009 -0.4232 H 1 UNL1111111111 0.1737 @BOND 1 1 24 1 2 2 20 2 3 3 8 1 4 3 9 1 5 3 10 1 6 4 11 1 7 4 12 1 8 4 21 1 9 5 15 1 10 5 16 ar 11 5 20 ar 12 6 7 ar 13 6 14 1 14 6 20 ar 15 7 16 ar 16 8 11 1 17 8 27 1 18 8 28 1 19 9 12 1 20 9 29 1 21 9 30 1 22 10 13 1 23 10 31 1 24 10 32 1 25 11 33 1 26 11 34 1 27 12 35 1 28 12 36 1 29 13 14 1 30 13 37 1 31 13 38 1 32 14 39 1 33 14 40 1 34 15 17 1 35 15 41 1 36 15 42 1 37 16 18 1 38 17 19 1 39 17 43 1 40 17 44 1 41 18 19 1 42 18 45 1 43 18 46 1 44 19 47 1 45 19 48 1 46 21 22 ar 47 21 23 ar 48 22 24 ar 49 22 49 1 50 23 25 ar 51 23 50 1 52 24 26 ar 53 25 26 ar 54 25 51 1 55 26 52 1