@MOLECULE (2z)-4-[1-benzyl-4-(4-chlorobenzyl)-4-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.4683 3.5776 -1.0619 Cl 1 UNL1111111111 -0.0904 2 C -4.2768 2.6789 -0.2237 C.ar 1 UNL1111111111 0.0168 3 C -3.0869 3.3071 0.1189 C.ar 1 UNL1111111111 -0.1582 4 C -2.1223 2.5698 0.8015 C.ar 1 UNL1111111111 -0.1463 5 C -4.5414 1.3532 0.0911 C.ar 1 UNL1111111111 -0.1567 6 C -3.5660 0.6286 0.7725 C.ar 1 UNL1111111111 -0.1543 7 C -2.3507 1.2273 1.1176 C.ar 1 UNL1111111111 0.0048 8 C -1.3060 0.4367 1.8438 C.3 1 UNL1111111111 -0.3074 9 C -0.1829 -0.0967 0.9195 C.3 1 UNL1111111111 -0.0212 10 C 0.6931 1.0571 0.4053 C.3 1 UNL1111111111 -0.2786 11 C 1.9347 0.5447 -0.3455 C.3 1 UNL1111111111 -0.1178 12 C -0.8248 -0.8285 -0.2600 C.2 1 UNL1111111111 0.4714 13 O -0.8067 -0.3858 -1.3781 O.2 1 UNL1111111111 -0.4067 14 C -1.5270 -2.0989 0.0486 C.2 1 UNL1111111111 -0.3187 15 C -1.1368 -3.2886 -0.4239 C.2 1 UNL1111111111 0.1898 16 O 0.0123 -3.3878 -1.1306 O.2 1 UNL1111111111 -0.4388 17 C -1.9131 -4.5254 -0.1407 C.2 1 UNL1111111111 0.5894 18 O -1.4662 -5.5583 -0.9019 O.3 1 UNL1111111111 -0.5781 19 O -2.8228 -4.6640 0.6305 O.2 1 UNL1111111111 -0.4556 20 C 0.6980 -1.0634 1.7323 C.3 1 UNL1111111111 -0.2877 21 C 1.9150 -1.5352 0.9167 C.3 1 UNL1111111111 -0.1173 22 N 2.7214 -0.3486 0.5407 N.3 1 UNL1111111111 -0.4222 23 C 3.9825 -0.7671 -0.1254 C.3 1 UNL1111111111 -0.1368 24 C 4.9232 0.4067 -0.2166 C.ar 1 UNL1111111111 -0.0013 25 C 5.1342 1.2195 0.8994 C.ar 1 UNL1111111111 -0.1451 26 C 6.0246 2.2867 0.8252 C.ar 1 UNL1111111111 -0.1487 27 C 6.7084 2.5437 -0.3627 C.ar 1 UNL1111111111 -0.1593 28 C 6.4959 1.7343 -1.4766 C.ar 1 UNL1111111111 -0.1414 29 C 5.6033 0.6661 -1.4065 C.ar 1 UNL1111111111 -0.1799 30 H -2.9052 4.3505 -0.1371 H 1 UNL1111111111 0.1710 31 H -1.1852 3.0464 1.0887 H 1 UNL1111111111 0.1617 32 H -5.4847 0.8832 -0.1860 H 1 UNL1111111111 0.1713 33 H -3.7624 -0.4096 1.0357 H 1 UNL1111111111 0.1560 34 H -0.8451 1.0591 2.6414 H 1 UNL1111111111 0.1632 35 H -1.7700 -0.4124 2.3882 H 1 UNL1111111111 0.1553 36 H 0.1089 1.7061 -0.2784 H 1 UNL1111111111 0.1586 37 H 1.0179 1.6862 1.2561 H 1 UNL1111111111 0.1504 38 H 1.6296 0.0509 -1.2945 H 1 UNL1111111111 0.1353 39 H 2.5801 1.4084 -0.6227 H 1 UNL1111111111 0.1475 40 H -2.4188 -1.9972 0.6710 H 1 UNL1111111111 0.1991 41 H 0.0900 -4.2644 -1.5978 H 1 UNL1111111111 0.3516 42 H -1.9517 -6.4082 -0.7514 H 1 UNL1111111111 0.3736 43 H 1.0606 -0.5460 2.6442 H 1 UNL1111111111 0.1590 44 H 0.1190 -1.9374 2.0784 H 1 UNL1111111111 0.1384 45 H 2.5432 -2.2018 1.5463 H 1 UNL1111111111 0.1340 46 H 1.5854 -2.1298 0.0365 H 1 UNL1111111111 0.1329 47 H 4.4647 -1.5574 0.4989 H 1 UNL1111111111 0.1505 48 H 3.8057 -1.2211 -1.1260 H 1 UNL1111111111 0.1279 49 H 4.5849 1.0163 1.8197 H 1 UNL1111111111 0.1685 50 H 6.1860 2.9200 1.6945 H 1 UNL1111111111 0.1467 51 H 7.4055 3.3759 -0.4199 H 1 UNL1111111111 0.1461 52 H 7.0263 1.9364 -2.4046 H 1 UNL1111111111 0.1469 53 H 5.4403 0.0400 -2.2805 H 1 UNL1111111111 0.1510 @BOND 1 2 1 1 2 3 2 ar 3 3 30 1 4 4 3 ar 5 4 31 1 6 5 2 ar 7 5 32 1 8 6 5 ar 9 6 33 1 10 7 6 ar 11 7 4 ar 12 8 9 1 13 8 7 1 14 8 34 1 15 8 35 1 16 9 10 1 17 10 11 1 18 10 36 1 19 10 37 1 20 11 38 1 21 11 39 1 22 12 9 1 23 12 14 1 24 13 12 2 25 14 40 1 26 15 14 2 27 15 17 1 28 16 15 1 29 16 41 1 30 17 18 1 31 18 42 1 32 19 17 2 33 20 21 1 34 20 9 1 35 20 43 1 36 20 44 1 37 21 22 1 38 21 45 1 39 21 46 1 40 22 11 1 41 23 22 1 42 23 47 1 43 23 48 1 44 24 23 1 45 24 25 ar 46 25 49 1 47 26 25 ar 48 26 50 1 49 27 26 ar 50 27 51 1 51 28 29 ar 52 28 27 ar 53 28 52 1 54 29 24 ar 55 29 53 1