@MOLECULE methyl 2-difluoromethyl-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-isobutyl-6-trifluoromethylnicotinate 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.7765 -1.0395 -1.7642 S.3 1 UNL1111111111 0.0026 2 F 2.8671 2.0666 -0.7121 F 1 UNL1111111111 -0.1919 3 F 1.6784 3.6221 0.0559 F 1 UNL1111111111 -0.1601 4 F 2.5186 2.1984 1.3693 F 1 UNL1111111111 -0.1735 5 F -3.1342 2.5645 1.2558 F 1 UNL1111111111 -0.1764 6 F -3.9444 1.4789 -0.3402 F 1 UNL1111111111 -0.2039 7 O -3.2540 -0.7990 -1.5177 O.3 1 UNL1111111111 -0.3841 8 O -3.4829 -1.3514 0.6598 O.2 1 UNL1111111111 -0.4505 9 N -0.4760 2.0641 0.0608 N.ar 1 UNL1111111111 -0.3249 10 N 2.8766 -0.8804 0.8694 N.2 1 UNL1111111111 -0.3306 11 C -0.3499 -2.2278 -0.1393 C.3 1 UNL1111111111 -0.3352 12 C -0.6670 -2.8224 1.2578 C.3 1 UNL1111111111 -0.0447 13 C -0.3711 -0.7375 -0.1038 C.ar 1 UNL1111111111 0.1462 14 C 0.8108 0.0245 -0.0518 C.ar 1 UNL1111111111 -0.0947 15 C -1.5952 -0.0519 -0.1078 C.ar 1 UNL1111111111 -0.1782 16 C 0.6994 1.4204 0.0513 C.ar 1 UNL1111111111 0.1140 17 C 0.4464 -2.5085 2.2556 C.3 1 UNL1111111111 -0.4578 18 C -0.8453 -4.3380 1.1202 C.3 1 UNL1111111111 -0.4508 19 C 2.1219 -0.6081 -0.1251 C.2 1 UNL1111111111 0.1168 20 C -1.6073 1.3427 -0.0227 C.ar 1 UNL1111111111 0.1318 21 C 4.3236 -1.6728 -0.9864 C.3 1 UNL1111111111 -0.3548 22 C 4.1623 -1.4831 0.5386 C.3 1 UNL1111111111 -0.1177 23 C 1.9200 2.3229 0.1885 C.3 1 UNL1111111111 0.5321 24 C -2.8654 -0.8099 -0.2156 C.2 1 UNL1111111111 0.5983 25 C -2.8646 2.2083 -0.0111 C.3 1 UNL1111111111 0.2767 26 C -4.4710 -1.4823 -1.8046 C.3 1 UNL1111111111 -0.1732 27 H -1.0862 -2.6113 -0.8793 H 1 UNL1111111111 0.1693 28 H 0.6232 -2.6306 -0.4852 H 1 UNL1111111111 0.1737 29 H -1.6245 -2.3795 1.6339 H 1 UNL1111111111 0.1573 30 H 0.6103 -1.4281 2.3617 H 1 UNL1111111111 0.1580 31 H 1.4047 -2.9449 1.9550 H 1 UNL1111111111 0.1476 32 H 0.2067 -2.8962 3.2523 H 1 UNL1111111111 0.1501 33 H -1.6775 -4.5880 0.4537 H 1 UNL1111111111 0.1427 34 H -1.0633 -4.7936 2.0938 H 1 UNL1111111111 0.1508 35 H 0.0569 -4.8192 0.7292 H 1 UNL1111111111 0.1428 36 H 5.1899 -1.1139 -1.3787 H 1 UNL1111111111 0.1713 37 H 4.4676 -2.7318 -1.2569 H 1 UNL1111111111 0.1654 38 H 4.2406 -2.4518 1.0841 H 1 UNL1111111111 0.1656 39 H 4.9628 -0.8250 0.9526 H 1 UNL1111111111 0.1742 40 H -2.7769 3.1133 -0.6867 H 1 UNL1111111111 0.1789 41 H -4.3487 -2.5545 -1.6234 H 1 UNL1111111111 0.1382 42 H -4.6219 -1.2670 -2.8692 H 1 UNL1111111111 0.1496 43 H -5.2911 -1.0809 -1.1985 H 1 UNL1111111111 0.1489 @BOND 1 1 19 1 2 1 21 1 3 2 23 1 4 3 23 1 5 4 23 1 6 5 25 1 7 6 25 1 8 7 24 1 9 7 26 1 10 8 24 2 11 9 16 ar 12 9 20 ar 13 10 19 2 14 10 22 1 15 11 12 1 16 11 13 1 17 11 27 1 18 11 28 1 19 12 17 1 20 12 18 1 21 12 29 1 22 13 14 ar 23 13 15 ar 24 14 16 ar 25 14 19 1 26 15 20 ar 27 15 24 1 28 16 23 1 29 17 30 1 30 17 31 1 31 17 32 1 32 18 33 1 33 18 34 1 34 18 35 1 35 20 25 1 36 21 22 1 37 21 36 1 38 21 37 1 39 22 38 1 40 22 39 1 41 25 40 1 42 26 41 1 43 26 42 1 44 26 43 1