@MOLECULE (2z)-3-(2-chloro-4-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-one 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4363 -3.5699 0.8397 Cl 1 UNL1111111111 -0.0392 2 O -4.6000 0.6965 1.7093 O.3 1 UNL1111111111 -0.3683 3 O -2.2134 2.1059 -1.8838 O.2 1 UNL1111111111 -0.5243 4 N -2.8327 2.3698 0.2725 N.am 1 UNL1111111111 -0.4685 5 N -2.2232 -2.6245 -1.5645 N.ar 1 UNL1111111111 -0.3663 6 C 5.8266 -0.0132 0.3630 C.3 1 UNL1111111111 0.1044 7 C 4.3409 0.2213 0.1710 C.ar 1 UNL1111111111 0.0117 8 C 6.1904 -1.3694 -0.2689 C.3 1 UNL1111111111 -0.4579 9 C 6.1396 -0.0305 1.8705 C.3 1 UNL1111111111 -0.4594 10 C 6.6925 1.0740 -0.2946 C.3 1 UNL1111111111 -0.4626 11 C -2.5885 2.0572 1.6850 C.3 1 UNL1111111111 -0.1177 12 C -4.2546 2.2766 -0.0950 C.3 1 UNL1111111111 -0.1178 13 C 3.4322 -0.6775 0.7448 C.ar 1 UNL1111111111 -0.1769 14 C 3.8417 1.2932 -0.5701 C.ar 1 UNL1111111111 -0.1839 15 C -3.2301 0.7049 2.0581 C.3 1 UNL1111111111 -0.0810 16 C -4.8176 0.9066 0.3250 C.3 1 UNL1111111111 -0.0794 17 C 1.5704 0.5559 -0.1746 C.ar 1 UNL1111111111 -0.0478 18 C 0.1342 0.7390 -0.4050 C.2 1 UNL1111111111 0.0322 19 C 2.0627 -0.5165 0.5743 C.ar 1 UNL1111111111 -0.1273 20 C 2.4701 1.4612 -0.7426 C.ar 1 UNL1111111111 -0.1206 21 C -1.8894 2.1062 -0.7107 C.2 1 UNL1111111111 0.5716 22 C -0.4704 1.9313 -0.3057 C.2 1 UNL1111111111 -0.2705 23 C -0.6382 -0.4524 -0.8015 C.ar 1 UNL1111111111 0.0562 24 C -1.0565 -1.3773 0.1581 C.ar 1 UNL1111111111 -0.2721 25 C -1.0074 -0.6275 -2.1372 C.ar 1 UNL1111111111 -0.2197 26 C -1.8518 -2.4310 -0.2932 C.ar 1 UNL1111111111 0.1856 27 C -1.7983 -1.7309 -2.4797 C.ar 1 UNL1111111111 0.0799 28 H 6.4813 2.0646 0.1218 H 1 UNL1111111111 0.1473 29 H 6.5357 1.1155 -1.3780 H 1 UNL1111111111 0.1489 30 H 7.7584 0.8763 -0.1321 H 1 UNL1111111111 0.1499 31 H 5.6261 -0.8479 2.3865 H 1 UNL1111111111 0.1464 32 H 5.8303 0.9063 2.3470 H 1 UNL1111111111 0.1488 33 H 7.2127 -0.1566 2.0500 H 1 UNL1111111111 0.1494 34 H 5.9299 -1.3891 -1.3336 H 1 UNL1111111111 0.1516 35 H 5.6628 -2.1992 0.2127 H 1 UNL1111111111 0.1477 36 H 7.2634 -1.5707 -0.1846 H 1 UNL1111111111 0.1486 37 H -1.5025 2.0570 1.9136 H 1 UNL1111111111 0.1514 38 H -3.0464 2.8718 2.2954 H 1 UNL1111111111 0.1581 39 H -4.7995 3.0973 0.4235 H 1 UNL1111111111 0.1543 40 H -4.3816 2.4389 -1.1908 H 1 UNL1111111111 0.1759 41 H 3.7992 -1.5204 1.3294 H 1 UNL1111111111 0.1555 42 H 4.5167 2.0121 -1.0311 H 1 UNL1111111111 0.1575 43 H -4.3741 0.0792 -0.2545 H 1 UNL1111111111 0.1323 44 H -5.9183 0.8649 0.2428 H 1 UNL1111111111 0.1508 45 H -3.2547 0.5462 3.1511 H 1 UNL1111111111 0.1492 46 H -2.7200 -0.1444 1.5730 H 1 UNL1111111111 0.1279 47 H 1.3788 -1.2346 1.0244 H 1 UNL1111111111 0.1561 48 H 2.0995 2.2969 -1.3374 H 1 UNL1111111111 0.1600 49 H 0.0435 2.8420 -0.0027 H 1 UNL1111111111 0.1875 50 H -0.7844 -1.2730 1.2057 H 1 UNL1111111111 0.1845 51 H -0.7143 0.1034 -2.8931 H 1 UNL1111111111 0.1961 52 H -2.1224 -1.9157 -3.5117 H 1 UNL1111111111 0.1839 @BOND 1 1 26 1 2 2 15 1 3 2 16 1 4 3 21 2 5 4 11 1 6 4 12 1 7 4 21 am 8 5 26 ar 9 5 27 ar 10 6 7 1 11 6 8 1 12 6 9 1 13 6 10 1 14 7 13 ar 15 7 14 ar 16 8 34 1 17 8 35 1 18 8 36 1 19 9 31 1 20 9 32 1 21 9 33 1 22 10 28 1 23 10 29 1 24 10 30 1 25 11 15 1 26 11 37 1 27 11 38 1 28 12 16 1 29 12 39 1 30 12 40 1 31 13 19 ar 32 13 41 1 33 14 20 ar 34 14 42 1 35 15 45 1 36 15 46 1 37 16 43 1 38 16 44 1 39 17 18 1 40 17 19 ar 41 17 20 ar 42 18 22 2 43 18 23 1 44 19 47 1 45 20 48 1 46 21 22 1 47 22 49 1 48 23 24 ar 49 23 25 ar 50 24 26 ar 51 24 50 1 52 25 27 ar 53 25 51 1 54 27 52 1