@MOLECULE (butyryloxy)methyl methyl (4r)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.6617 -1.5779 1.7134 Cl 1 UNL1111111111 -0.0318 2 CL 2.5903 -2.8888 -0.3044 Cl 1 UNL1111111111 -0.0656 3 O 0.1710 2.9912 -0.0310 O.3 1 UNL1111111111 -0.4667 4 O -1.9738 -2.4311 0.9575 O.3 1 UNL1111111111 -0.3849 5 O -0.1386 2.4315 2.1280 O.2 1 UNL1111111111 -0.4536 6 O -3.8067 -2.6538 -0.3175 O.2 1 UNL1111111111 -0.5509 7 O 2.3115 2.5842 0.7128 O.3 1 UNL1111111111 -0.4617 8 O 2.8426 2.0007 -1.3931 O.2 1 UNL1111111111 -0.4959 9 N -3.8329 1.6228 -0.5603 N.pl3 1 UNL1111111111 -0.4838 10 C -1.5816 0.1579 0.5068 C.3 1 UNL1111111111 -0.0202 11 C -1.6577 1.6557 0.4300 C.2 1 UNL1111111111 -0.2843 12 C -2.8703 -0.4819 0.0641 C.2 1 UNL1111111111 -0.3302 13 C -0.4697 -0.3390 -0.3944 C.ar 1 UNL1111111111 -0.0081 14 C -2.7085 2.3212 -0.0947 C.2 1 UNL1111111111 0.2830 15 C -3.9063 0.2376 -0.4473 C.2 1 UNL1111111111 0.3323 16 C -0.4956 2.3577 0.9853 C.2 1 UNL1111111111 0.6328 17 C -2.7698 3.8047 -0.2379 C.3 1 UNL1111111111 -0.4752 18 C -5.1761 -0.3706 -0.9322 C.3 1 UNL1111111111 -0.4839 19 C -2.9702 -1.9334 0.1791 C.2 1 UNL1111111111 0.6306 20 C 0.5324 -1.1972 0.0614 C.ar 1 UNL1111111111 -0.0312 21 C -0.4564 0.0406 -1.7387 C.ar 1 UNL1111111111 -0.1329 22 C 1.4513 -1.7323 -0.8291 C.ar 1 UNL1111111111 -0.0174 23 C 0.5133 -0.4445 -2.6146 C.ar 1 UNL1111111111 -0.1170 24 C 1.4690 -1.3540 -2.1679 C.ar 1 UNL1111111111 -0.1547 25 C 1.4190 3.5759 0.2727 C.3 1 UNL1111111111 0.2216 26 C -1.9175 -3.8488 1.0678 C.3 1 UNL1111111111 -0.1721 27 C 3.7123 0.7400 0.5066 C.3 1 UNL1111111111 -0.3512 28 C 4.7686 0.1386 -0.4249 C.3 1 UNL1111111111 -0.2306 29 C 2.9324 1.7915 -0.2144 C.2 1 UNL1111111111 0.6183 30 C 5.6314 -0.8744 0.3224 C.3 1 UNL1111111111 -0.4358 31 H -1.3946 -0.1262 1.5845 H 1 UNL1111111111 0.1936 32 H -4.6196 2.1396 -0.9242 H 1 UNL1111111111 0.3172 33 H -3.7902 4.2080 -0.2639 H 1 UNL1111111111 0.1580 34 H -2.2522 4.3155 0.5919 H 1 UNL1111111111 0.1836 35 H -2.2574 4.1237 -1.1636 H 1 UNL1111111111 0.1867 36 H -4.9866 -1.0149 -1.8139 H 1 UNL1111111111 0.2013 37 H -5.6035 -1.0616 -0.1789 H 1 UNL1111111111 0.2008 38 H -5.9587 0.3462 -1.2000 H 1 UNL1111111111 0.1524 39 H -1.2150 0.7352 -2.1021 H 1 UNL1111111111 0.1666 40 H 0.5221 -0.1147 -3.6544 H 1 UNL1111111111 0.1628 41 H 2.2124 -1.7559 -2.8539 H 1 UNL1111111111 0.1723 42 H 1.3478 4.2550 1.1422 H 1 UNL1111111111 0.1445 43 H 1.7210 4.0332 -0.6868 H 1 UNL1111111111 0.1495 44 H -1.0947 -4.0050 1.7764 H 1 UNL1111111111 0.1518 45 H -1.6909 -4.2878 0.0915 H 1 UNL1111111111 0.1369 46 H -2.8616 -4.2448 1.4547 H 1 UNL1111111111 0.1395 47 H 3.0158 -0.0445 0.8757 H 1 UNL1111111111 0.1900 48 H 4.1789 1.1570 1.4255 H 1 UNL1111111111 0.1838 49 H 4.2733 -0.3401 -1.2940 H 1 UNL1111111111 0.1505 50 H 5.4021 0.9404 -0.8532 H 1 UNL1111111111 0.1431 51 H 5.0387 -1.7227 0.6857 H 1 UNL1111111111 0.1525 52 H 6.4152 -1.2797 -0.3281 H 1 UNL1111111111 0.1424 53 H 6.1254 -0.4234 1.1903 H 1 UNL1111111111 0.1417 @BOND 1 1 20 1 2 2 22 1 3 3 16 1 4 3 25 1 5 4 19 1 6 4 26 1 7 5 16 2 8 6 19 2 9 7 25 1 10 7 29 1 11 8 29 2 12 9 14 1 13 9 15 1 14 9 32 1 15 10 11 1 16 10 12 1 17 10 13 1 18 10 31 1 19 11 14 2 20 11 16 1 21 12 15 2 22 12 19 1 23 13 20 ar 24 13 21 ar 25 14 17 1 26 15 18 1 27 17 33 1 28 17 34 1 29 17 35 1 30 18 36 1 31 18 37 1 32 18 38 1 33 20 22 ar 34 21 23 ar 35 21 39 1 36 22 24 ar 37 23 24 ar 38 23 40 1 39 24 41 1 40 25 42 1 41 25 43 1 42 26 44 1 43 26 45 1 44 26 46 1 45 27 28 1 46 27 29 1 47 27 47 1 48 27 48 1 49 28 30 1 50 28 49 1 51 28 50 1 52 30 51 1 53 30 52 1 54 30 53 1