@MOLECULE ethyl methyl (4r)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 1.8334 -0.6199 1.5792 Cl 1 UNL11111111 -0.0326 2 CL 4.1150 -0.9309 -0.4673 Cl 1 UNL11111111 -0.0646 3 O 0.6157 2.0361 1.0975 O.3 1 UNL11111111 -0.4122 4 O -0.4239 -2.4653 0.9472 O.3 1 UNL11111111 -0.3821 5 O -0.6766 3.7148 0.3425 O.2 1 UNL11111111 -0.5544 6 O -2.3764 -3.3453 0.2687 O.2 1 UNL11111111 -0.5515 7 N -3.5972 0.6926 -0.5120 N.pl3 1 UNL11111111 -0.4831 8 C -0.9552 0.0470 0.4335 C.3 1 UNL11111111 -0.0187 9 C -1.4531 1.4522 0.2377 C.2 1 UNL11111111 -0.3215 10 C -2.0264 -0.9762 0.1820 C.2 1 UNL11111111 -0.3251 11 C 0.1975 -0.1907 -0.5194 C.ar 1 UNL11111111 0.0182 12 C -2.7015 1.7256 -0.2236 C.2 1 UNL11111111 0.3222 13 C -3.2615 -0.6419 -0.2777 C.2 1 UNL11111111 0.3252 14 C -0.5142 2.5309 0.5379 C.2 1 UNL11111111 0.6393 15 C -3.2166 3.1011 -0.4613 C.3 1 UNL11111111 -0.4822 16 C -4.3359 -1.6302 -0.5655 C.3 1 UNL11111111 -0.4836 17 C -1.6831 -2.3688 0.4474 C.2 1 UNL11111111 0.6297 18 C 1.4906 -0.4707 -0.0804 C.ar 1 UNL11111111 -0.0066 19 C -0.0333 -0.1056 -1.8970 C.ar 1 UNL11111111 -0.1545 20 C 2.5214 -0.6310 -0.9991 C.ar 1 UNL11111111 -0.0169 21 C 1.0003 -0.2825 -2.8118 C.ar 1 UNL11111111 -0.1320 22 C 2.2955 -0.5433 -2.3657 C.ar 1 UNL11111111 -0.1658 23 C 1.7037 2.9355 1.3139 C.3 1 UNL11111111 0.0091 24 C 0.0405 -3.7821 1.2210 C.3 1 UNL11111111 -0.1731 25 C 2.5347 3.0110 0.0430 C.3 1 UNL11111111 -0.4831 26 H -0.6185 -0.0576 1.5072 H 1 UNL11111111 0.1911 27 H -4.5263 0.9200 -0.8368 H 1 UNL11111111 0.3176 28 H -4.2484 3.1532 -0.8224 H 1 UNL11111111 0.1524 29 H -2.5765 3.6400 -1.1891 H 1 UNL11111111 0.2024 30 H -3.1511 3.7134 0.4599 H 1 UNL11111111 0.1996 31 H -4.5717 -2.2316 0.3350 H 1 UNL11111111 0.2005 32 H -3.9938 -2.3796 -1.3075 H 1 UNL11111111 0.2017 33 H -5.2732 -1.2013 -0.9336 H 1 UNL11111111 0.1530 34 H -1.0422 0.1066 -2.2521 H 1 UNL11111111 0.1641 35 H 0.7987 -0.2138 -3.8800 H 1 UNL11111111 0.1591 36 H 3.1084 -0.6744 -3.0791 H 1 UNL11111111 0.1712 37 H 1.3301 3.9231 1.6368 H 1 UNL11111111 0.1397 38 H 2.2388 2.4377 2.1456 H 1 UNL11111111 0.1436 39 H 0.0626 -4.3737 0.3002 H 1 UNL11111111 0.1377 40 H -0.5978 -4.2624 1.9691 H 1 UNL11111111 0.1390 41 H 1.0520 -3.6058 1.6078 H 1 UNL11111111 0.1519 42 H 3.4594 3.5754 0.2010 H 1 UNL11111111 0.1531 43 H 2.8104 2.0085 -0.3112 H 1 UNL11111111 0.1614 44 H 1.9764 3.4987 -0.7669 H 1 UNL11111111 0.1607 @BOND 1 29 15 1 2 28 15 1 3 30 15 1 4 15 12 1 5 5 14 2 6 44 25 1 7 37 23 1 8 42 25 1 9 12 7 1 10 12 9 2 11 14 9 1 12 14 3 1 13 25 23 1 14 25 43 1 15 27 7 1 16 23 3 1 17 23 38 1 18 7 13 1 19 9 8 1 20 34 19 1 21 35 21 1 22 19 21 ar 23 19 11 ar 24 21 22 ar 25 33 16 1 26 13 16 1 27 13 10 2 28 8 11 1 29 8 26 1 30 8 10 1 31 11 18 ar 32 22 36 1 33 22 20 ar 34 16 32 1 35 16 31 1 36 10 17 1 37 18 20 ar 38 18 1 1 39 20 2 1 40 17 4 1 41 17 6 2 42 4 24 1 43 24 41 1 44 24 39 1 45 24 40 1