@MOLECULE (2e)-3-(4-chlorophenyl)-1-{(3r,4r)-4-[(e)-2-(4-chlorophenyl)vinyl]-1-ethyl-4-hydroxy-3-piperidinyl}-2-propen-1-one 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.9909 -1.6506 -0.2248 Cl 1 UNL1111111111 -0.0825 2 CL 5.7138 1.5886 -1.0303 Cl 1 UNL1111111111 -0.0717 3 O -3.4065 -1.2710 1.3788 O.3 1 UNL1111111111 -0.5688 4 O -2.5554 1.5800 2.0528 O.2 1 UNL1111111111 -0.4630 5 N -5.5806 0.4184 -0.7144 N.3 1 UNL1111111111 -0.4346 6 C -3.0743 -0.8258 0.0813 C.3 1 UNL1111111111 0.3220 7 C -3.2482 0.7159 -0.0495 C.3 1 UNL1111111111 -0.3035 8 C -4.0667 -1.5339 -0.8519 C.3 1 UNL1111111111 -0.3061 9 C -4.7038 1.0934 0.2772 C.3 1 UNL1111111111 -0.1022 10 C -5.4989 -1.0559 -0.5523 C.3 1 UNL1111111111 -0.1046 11 C -1.6464 -1.1762 -0.2335 C.2 1 UNL1111111111 -0.2305 12 C -6.9804 0.8986 -0.5796 C.3 1 UNL1111111111 -0.0927 13 C -2.2781 1.4029 0.8894 C.2 1 UNL1111111111 0.4715 14 C -7.7705 0.5428 -1.8455 C.3 1 UNL1111111111 -0.4475 15 C -0.8599 -1.8630 0.6017 C.2 1 UNL1111111111 -0.1293 16 C -0.9578 1.7384 0.3217 C.2 1 UNL1111111111 -0.3036 17 C 0.5810 -1.9785 0.3813 C.ar 1 UNL1111111111 -0.0120 18 C 0.1543 1.4765 1.0235 C.2 1 UNL1111111111 -0.0428 19 C 1.1193 -2.0973 -0.9047 C.ar 1 UNL1111111111 -0.1366 20 C 1.4340 -1.8709 1.4878 C.ar 1 UNL1111111111 -0.1390 21 C 1.5120 1.5813 0.4960 C.ar 1 UNL1111111111 -0.0475 22 C 2.4969 -2.0309 -1.0989 C.ar 1 UNL1111111111 -0.1724 23 C 2.8121 -1.7987 1.3075 C.ar 1 UNL1111111111 -0.1670 24 C 2.5845 1.7172 1.3885 C.ar 1 UNL1111111111 -0.1183 25 C 1.7621 1.4702 -0.8767 C.ar 1 UNL1111111111 -0.1122 26 C 3.3102 -1.8502 0.0117 C.ar 1 UNL1111111111 0.0189 27 C 3.8950 1.7263 0.9204 C.ar 1 UNL1111111111 -0.1753 28 C 3.0688 1.4763 -1.3586 C.ar 1 UNL1111111111 -0.1835 29 C 4.1090 1.5983 -0.4469 C.ar 1 UNL1111111111 0.0407 30 H -3.0468 1.0040 -1.1110 H 1 UNL1111111111 0.1833 31 H -4.0009 -2.6286 -0.7036 H 1 UNL1111111111 0.1597 32 H -3.8090 -1.3319 -1.9073 H 1 UNL1111111111 0.1547 33 H -4.8352 2.1930 0.1804 H 1 UNL1111111111 0.1420 34 H -4.9457 0.8268 1.3297 H 1 UNL1111111111 0.1378 35 H -5.7947 -1.3893 0.4676 H 1 UNL1111111111 0.1327 36 H -6.2022 -1.5259 -1.2721 H 1 UNL1111111111 0.1369 37 H -1.2841 -0.7748 -1.1785 H 1 UNL1111111111 0.1558 38 H -6.9610 2.0060 -0.4662 H 1 UNL1111111111 0.1355 39 H -7.4888 0.4924 0.3205 H 1 UNL1111111111 0.1151 40 H -3.2095 -0.5903 2.0575 H 1 UNL1111111111 0.3362 41 H -8.7038 1.1121 -1.8977 H 1 UNL1111111111 0.1423 42 H -8.0238 -0.5208 -1.8877 H 1 UNL1111111111 0.1421 43 H -7.1828 0.7746 -2.7444 H 1 UNL1111111111 0.1610 44 H -1.2486 -2.3035 1.5253 H 1 UNL1111111111 0.1762 45 H -0.9520 2.1509 -0.6828 H 1 UNL1111111111 0.1724 46 H 0.0826 1.1138 2.0587 H 1 UNL1111111111 0.1680 47 H 0.4582 -2.2348 -1.7596 H 1 UNL1111111111 0.1616 48 H 1.0164 -1.8234 2.4935 H 1 UNL1111111111 0.1628 49 H 2.9186 -2.1067 -2.1005 H 1 UNL1111111111 0.1716 50 H 3.4776 -1.6929 2.1638 H 1 UNL1111111111 0.1726 51 H 2.3928 1.8137 2.4576 H 1 UNL1111111111 0.1632 52 H 0.9334 1.3601 -1.5759 H 1 UNL1111111111 0.1601 53 H 4.7304 1.8243 1.6145 H 1 UNL1111111111 0.1768 54 H 3.2632 1.3800 -2.4265 H 1 UNL1111111111 0.1738 @BOND 1 1 26 1 2 2 29 1 3 3 6 1 4 3 40 1 5 4 13 2 6 5 9 1 7 5 10 1 8 5 12 1 9 6 7 1 10 6 8 1 11 6 11 1 12 7 9 1 13 7 13 1 14 7 30 1 15 8 10 1 16 8 31 1 17 8 32 1 18 9 33 1 19 9 34 1 20 10 35 1 21 10 36 1 22 11 15 2 23 11 37 1 24 12 14 1 25 12 38 1 26 12 39 1 27 13 16 1 28 14 41 1 29 14 42 1 30 14 43 1 31 15 17 1 32 15 44 1 33 16 18 2 34 16 45 1 35 17 19 ar 36 17 20 ar 37 18 21 1 38 18 46 1 39 19 22 ar 40 19 47 1 41 20 23 ar 42 20 48 1 43 21 24 ar 44 21 25 ar 45 22 26 ar 46 22 49 1 47 23 26 ar 48 23 50 1 49 24 27 ar 50 24 51 1 51 25 28 ar 52 25 52 1 53 27 29 ar 54 27 53 1 55 28 29 ar 56 28 54 1