@MOLECULE diethyl (4s)-2-[(dimethylamino)methyl]-6-methyl-4-(2-{(1e)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5872 1.7380 -0.1245 O.3 1 UNL111111 -0.3841 2 O -0.3036 -2.5894 1.2942 O.3 1 UNL111111 -0.4159 3 O 1.1406 3.1278 -0.4418 O.2 1 UNL111111 -0.5890 4 O 1.5651 -3.7938 1.5427 O.2 1 UNL111111 -0.5713 5 O -4.4125 1.2358 -0.2914 O.3 1 UNL111111 -0.4648 6 O -4.4689 -0.8201 0.5615 O.2 1 UNL111111 -0.5295 7 N 3.6588 -0.2030 0.4967 N.pl3 1 UNL111111 -0.4489 8 N 5.0542 2.0588 0.5160 N.3 1 UNL111111 -0.4148 9 C 0.8543 -0.5090 0.0446 C.3 1 UNL111111 -0.0243 10 C 1.5509 0.8233 0.0205 C.2 1 UNL111111 -0.3357 11 C 1.6995 -1.5524 0.7196 C.2 1 UNL111111 -0.3323 12 C 2.8982 0.9212 0.1979 C.2 1 UNL111111 0.2887 13 C 0.5792 -0.9615 -1.3771 C.ar 1 UNL111111 0.0178 14 C 3.0472 -1.4011 0.8557 C.2 1 UNL111111 0.3320 15 C 3.6496 2.2307 0.0719 C.3 1 UNL111111 -0.1642 16 C -0.7173 -1.2518 -1.8154 C.ar 1 UNL111111 -0.0520 17 C 0.7375 2.0060 -0.2095 C.2 1 UNL111111 0.6419 18 C 1.6475 -1.0904 -2.2699 C.ar 1 UNL111111 -0.1509 19 C 1.0409 -2.7537 1.2057 C.2 1 UNL111111 0.6381 20 C 3.9568 -2.4520 1.3854 C.3 1 UNL111111 -0.4791 21 C -0.9305 -1.6686 -3.1339 C.ar 1 UNL111111 -0.1264 22 C 1.4333 -1.5113 -3.5781 C.ar 1 UNL111111 -0.1402 23 C -1.8664 -1.1219 -0.9114 C.2 1 UNL111111 0.0088 24 C 0.1407 -1.8052 -4.0111 C.ar 1 UNL111111 -0.1596 25 C 5.9987 2.7035 -0.4172 C.3 1 UNL111111 -0.2736 26 C 5.2393 2.5605 1.8936 C.3 1 UNL111111 -0.2827 27 C -5.4842 1.5754 0.6756 C.3 1 UNL111111 -0.4935 28 C -2.8500 -0.2435 -1.1469 C.2 1 UNL111111 -0.3201 29 C -1.4678 2.8797 -0.2377 C.3 1 UNL111111 -0.2948 30 C -1.0703 -3.7125 1.7825 C.3 1 UNL111111 -0.2976 31 C -3.9563 -0.0445 -0.2132 C.2 1 UNL111111 0.6176 32 C -4.9825 1.4114 2.0440 C.3 1 UNL111111 0.2655 33 C -5.7897 2.9646 0.3830 C.3 1 UNL111111 0.2507 34 C -6.6101 0.6542 0.4682 C.3 1 UNL111111 0.2674 35 C -1.5537 3.5861 1.0080 C.3 1 UNL111111 0.1735 36 C -2.2588 -3.1640 2.3934 C.3 1 UNL111111 0.2117 37 H -0.1108 -0.3932 0.6186 H 1 UNL111111 0.1864 38 H 4.6646 -0.0672 0.6219 H 1 UNL111111 0.3478 39 H 3.1080 3.0304 0.6387 H 1 UNL111111 0.1833 40 H 3.5865 2.5680 -0.9928 H 1 UNL111111 0.1836 41 H 2.6583 -0.8603 -1.9355 H 1 UNL111111 0.1567 42 H 3.6549 -2.7643 2.4030 H 1 UNL111111 0.1937 43 H 3.8784 -3.3780 0.7802 H 1 UNL111111 0.2012 44 H 5.0139 -2.1669 1.4235 H 1 UNL111111 0.1564 45 H -1.9422 -1.8887 -3.4715 H 1 UNL111111 0.1547 46 H 2.2730 -1.6108 -4.2616 H 1 UNL111111 0.1440 47 H -1.8626 -1.7721 -0.0256 H 1 UNL111111 0.1842 48 H -0.0272 -2.1379 -5.0325 H 1 UNL111111 0.1448 49 H 5.8628 3.7911 -0.5213 H 1 UNL111111 0.1300 50 H 7.0302 2.5164 -0.0754 H 1 UNL111111 0.1452 51 H 5.8959 2.2405 -1.4138 H 1 UNL111111 0.1508 52 H 6.2567 2.3075 2.2348 H 1 UNL111111 0.1457 53 H 5.0992 3.6469 2.0040 H 1 UNL111111 0.1313 54 H 4.5285 2.0503 2.5661 H 1 UNL111111 0.1510 55 H -2.8550 0.4037 -2.0269 H 1 UNL111111 0.1881 56 H -1.1376 3.5171 -1.0886 H 1 UNL111111 0.1931 57 H -2.4201 2.3871 -0.5422 H 1 UNL111111 0.1947 58 H -0.4577 -4.3081 2.4982 H 1 UNL111111 0.1896 59 H -1.2588 -4.3663 0.9076 H 1 UNL111111 0.1749 @BOND 1 50 25 1 2 52 26 1 3 25 49 1 4 25 51 1 5 25 8 1 6 26 53 1 7 26 8 1 8 26 54 1 9 8 15 1 10 44 20 1 11 38 7 1 12 15 40 1 13 15 39 1 14 15 12 1 15 20 43 1 16 20 42 1 17 20 14 1 18 7 12 1 19 7 14 1 20 12 10 2 21 14 11 2 22 41 18 1 23 46 22 1 24 10 17 1 25 10 9 1 26 11 19 1 27 11 9 1 28 18 22 ar 29 18 13 ar 30 3 17 2 31 4 19 2 32 22 24 ar 33 17 1 1 34 19 2 1 35 9 13 1 36 9 37 1 37 13 16 ar 38 24 48 1 39 24 21 ar 40 2 30 1 41 1 29 1 42 58 30 1 43 16 21 ar 44 16 23 1 45 56 29 1 46 35 29 1 47 21 45 1 48 29 57 1 49 30 59 1 50 30 36 1 51 23 47 1 52 23 28 2 53 28 55 1 54 28 31 1 55 31 6 2 56 31 5 1 57 5 27 1 58 32 27 1 59 27 33 1 60 27 34 1