@MOLECULE (4r)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid 40 41 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7428 2.9345 -0.2103 O.3 1 UNL111 -0.0749 2 O 1.6948 -2.1620 -2.0101 O.3 1 UNL111 -0.4695 3 O 0.6920 2.9542 -1.9416 O.2 1 UNL111 -0.3537 4 O 2.8889 -3.0459 -0.3582 O.2 1 UNL111 -0.3401 5 O -4.3736 -1.4617 1.3243 O.2 1 UNL111 -0.1589 6 O -2.7049 -0.7482 2.4763 O.2 1 UNL111 -0.1473 7 N 2.2040 0.5986 1.7998 N.pl3 1 UNL111 -0.7044 8 N -3.2181 -1.0769 1.4173 N.pl3 1 UNL111 -0.1300 9 C 1.0634 0.1226 -0.8016 C.3 1 UNL111 -0.4785 10 C 1.0293 1.4508 -0.0980 C.2 1 UNL111 -0.4209 11 C 1.9408 -0.8605 -0.0823 C.2 1 UNL111 -0.0726 12 C -0.3446 -0.4298 -0.8694 C.ar 1 UNL111 0.6692 13 C 1.5364 1.6421 1.1398 C.2 1 UNL111 0.6199 14 C 2.4323 -0.6176 1.1680 C.2 1 UNL111 0.4493 15 C -1.1152 -0.5044 0.2903 C.ar 1 UNL111 -0.8624 16 C -0.8706 -0.8662 -2.0862 C.ar 1 UNL111 -0.5028 17 C 1.4786 2.9270 1.8925 C.3 1 UNL111 -0.9723 18 C 0.3691 2.5085 -0.8715 C.2 1 UNL111 0.3366 19 C 3.2358 -1.6007 1.9438 C.3 1 UNL111 -0.8594 20 C 2.2395 -2.1067 -0.7596 C.2 1 UNL111 0.2404 21 C -2.4143 -1.0063 0.2093 C.ar 1 UNL111 0.7916 22 C -2.1717 -1.3662 -2.1516 C.ar 1 UNL111 0.0064 23 C -2.9562 -1.4374 -1.0053 C.ar 1 UNL111 -0.6376 24 C -1.5432 3.8973 -0.8875 C.3 1 UNL111 -0.7327 25 H 1.4663 0.2768 -1.8461 H 1 UNL111 0.2940 26 H 2.5662 0.7573 2.7297 H 1 UNL111 0.4801 27 H -0.7085 -0.1693 1.2492 H 1 UNL111 0.3950 28 H -0.2560 -0.8237 -2.9889 H 1 UNL111 0.2649 29 H 0.5591 3.4946 1.6538 H 1 UNL111 0.3080 30 H 2.3290 3.5799 1.6349 H 1 UNL111 0.2880 31 H 1.4760 2.7979 2.9839 H 1 UNL111 0.2901 32 H 4.1487 -1.8956 1.3884 H 1 UNL111 0.2874 33 H 2.6786 -2.5510 2.0740 H 1 UNL111 0.3095 34 H 3.5478 -1.2624 2.9376 H 1 UNL111 0.2617 35 H -2.5745 -1.7034 -3.1054 H 1 UNL111 0.1741 36 H -3.9775 -1.8245 -1.0473 H 1 UNL111 0.3289 37 H 1.9042 -3.0101 -2.4738 H 1 UNL111 0.3599 38 H -0.9676 4.8096 -1.0723 H 1 UNL111 0.2329 39 H -2.3647 4.0737 -0.1830 H 1 UNL111 0.2839 40 H -1.9127 3.4828 -1.8317 H 1 UNL111 0.2462 @BOND 1 35 22 1 2 28 16 1 3 37 2 1 4 22 16 ar 5 22 23 ar 6 16 12 ar 7 2 20 1 8 3 18 2 9 25 9 1 10 40 24 1 11 38 24 1 12 36 23 1 13 23 21 ar 14 24 1 1 15 24 39 1 16 18 1 1 17 18 10 1 18 12 9 1 19 12 15 ar 20 9 10 1 21 9 11 1 22 20 4 2 23 20 11 1 24 10 13 2 25 11 14 2 26 21 15 ar 27 21 8 1 28 15 27 1 29 13 7 1 30 13 17 1 31 14 7 1 32 14 19 1 33 5 8 2 34 32 19 1 35 8 6 2 36 30 17 1 37 29 17 1 38 7 26 1 39 17 31 1 40 19 33 1 41 19 34 1