@MOLECULE n-({4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-4h-1,2,4-triazol-3-yl}methyl)glycinamide 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.1627 3.3958 2.0090 Cl 1 UNL1111111111 -0.0640 2 CL -2.0273 0.0664 -2.1000 Cl 1 UNL1111111111 -0.0401 3 O -0.1920 -2.3405 -0.2852 O.2 1 UNL1111111111 -0.3792 4 O 0.4549 1.3450 -1.3433 O.2 1 UNL1111111111 -0.5510 5 N 2.1006 -1.2399 0.5168 N.ar 1 UNL1111111111 -0.3237 6 N 3.3576 -2.5343 -0.7832 N.ar 1 UNL1111111111 -0.2087 7 N 3.6014 -2.8822 0.4902 N.ar 1 UNL1111111111 -0.2205 8 N 2.3612 0.4727 -2.1915 N.am 1 UNL1111111111 -0.5937 9 N 1.2928 3.9318 -1.2595 N.3 1 UNL1111111111 -0.5908 10 C 1.2583 -0.1878 0.9579 C.ar 1 UNL1111111111 0.2084 11 C 2.4414 -1.5439 -0.8144 C.ar 1 UNL1111111111 0.1340 12 C -0.1313 -0.2202 0.7568 C.ar 1 UNL1111111111 -0.1348 13 C 2.8570 -2.1162 1.3180 C.ar 1 UNL1111111111 0.1936 14 C 1.8810 -0.9026 -2.0378 C.3 1 UNL1111111111 -0.0482 15 C 1.8784 0.9104 1.5747 C.ar 1 UNL1111111111 -0.1993 16 C -0.8831 0.9051 1.1057 C.ar 1 UNL1111111111 -0.0725 17 C -0.8056 -1.4022 0.1550 C.2 1 UNL1111111111 0.4644 18 C 2.7911 -2.1789 2.7850 C.3 1 UNL1111111111 -0.4319 19 C 1.1223 2.0205 1.9305 C.ar 1 UNL1111111111 -0.1206 20 C -0.2413 2.0023 1.6618 C.ar 1 UNL1111111111 -0.0012 21 C -2.2932 -1.3840 0.1139 C.ar 1 UNL1111111111 -0.1583 22 C 1.5740 1.5261 -1.7808 C.2 1 UNL1111111111 0.5359 23 C -2.9572 -0.7347 -0.9212 C.ar 1 UNL1111111111 0.0428 24 C -3.0334 -2.0484 1.0891 C.ar 1 UNL1111111111 -0.0831 25 C 2.1574 2.9315 -1.9024 C.3 1 UNL1111111111 -0.1859 26 C -4.3426 -0.7160 -1.0074 C.ar 1 UNL1111111111 -0.1760 27 C -4.4263 -2.0385 1.0195 C.ar 1 UNL1111111111 -0.1655 28 C -5.0767 -1.3757 -0.0215 C.ar 1 UNL1111111111 -0.1083 29 H 2.1781 -1.5005 -2.9405 H 1 UNL1111111111 0.1847 30 H 0.7574 -0.9181 -2.0093 H 1 UNL1111111111 0.1998 31 H 2.9551 0.8997 1.7492 H 1 UNL1111111111 0.1769 32 H -1.9635 0.9286 0.9264 H 1 UNL1111111111 0.1891 33 H 2.9073 -1.1923 3.2584 H 1 UNL1111111111 0.1664 34 H 1.8315 -2.6045 3.1283 H 1 UNL1111111111 0.1781 35 H 3.5899 -2.8323 3.1855 H 1 UNL1111111111 0.1909 36 H 1.5976 2.8853 2.3982 H 1 UNL1111111111 0.1787 37 H 3.3208 0.5884 -2.4711 H 1 UNL1111111111 0.3183 38 H -2.5266 -2.5768 1.8974 H 1 UNL1111111111 0.1644 39 H 2.2838 3.2015 -2.9766 H 1 UNL1111111111 0.1718 40 H 3.1684 2.9874 -1.4392 H 1 UNL1111111111 0.1650 41 H -4.8490 -0.2019 -1.8236 H 1 UNL1111111111 0.1723 42 H -5.0092 -2.5550 1.7805 H 1 UNL1111111111 0.1571 43 H -6.1654 -1.3743 -0.0678 H 1 UNL1111111111 0.1538 44 H 1.1404 3.7075 -0.2851 H 1 UNL1111111111 0.2517 45 H 0.3838 3.9675 -1.7042 H 1 UNL1111111111 0.2594 @BOND 1 1 20 1 2 2 23 1 3 3 17 2 4 4 22 2 5 5 10 1 6 5 11 ar 7 5 13 ar 8 6 7 ar 9 6 11 ar 10 7 13 ar 11 8 14 1 12 8 22 am 13 8 37 1 14 9 25 1 15 9 44 1 16 9 45 1 17 10 12 ar 18 10 15 ar 19 11 14 1 20 12 16 ar 21 12 17 1 22 13 18 1 23 14 29 1 24 14 30 1 25 15 19 ar 26 15 31 1 27 16 20 ar 28 16 32 1 29 17 21 1 30 18 33 1 31 18 34 1 32 18 35 1 33 19 20 ar 34 19 36 1 35 21 23 ar 36 21 24 ar 37 22 25 1 38 23 26 ar 39 24 27 ar 40 24 38 1 41 25 39 1 42 25 40 1 43 26 28 ar 44 26 41 1 45 27 28 ar 46 27 42 1 47 28 43 1