@MOLECULE 8-chloro-6-(2-chlorophenyl)-n,n-dimethyl-4h-1,2,4-triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.3010 -2.9884 -0.6936 Cl 1 UNL111111111 -0.0624 2 CL -0.2790 1.4520 -1.3671 Cl 1 UNL111111111 -0.0675 3 O 5.3305 -1.5321 0.0362 O.2 1 UNL111111111 -0.4829 4 N 1.0688 -0.9737 0.5404 N.ar 1 UNL111111111 -0.1692 5 N -0.4838 1.0477 2.1861 N.2 1 UNL111111111 -0.3435 6 N 2.1402 -1.1884 -0.2790 N.ar 1 UNL111111111 -0.2152 7 N 2.7968 -0.0128 1.5615 N.ar 1 UNL111111111 -0.3900 8 N 4.9645 0.5267 -0.8505 N.am 1 UNL111111111 -0.4320 9 C -0.2257 -1.4268 0.1981 C.ar 1 UNL111111111 0.1835 10 C -1.3488 -0.6882 0.6055 C.ar 1 UNL111111111 -0.1256 11 C 1.4824 -0.2482 1.6740 C.ar 1 UNL111111111 0.2050 12 C -1.2463 0.6498 1.2362 C.2 1 UNL111111111 0.2014 13 C 0.5512 0.1926 2.7493 C.3 1 UNL111111111 -0.1144 14 C -0.3641 -2.6155 -0.5369 C.ar 1 UNL111111111 -0.1371 15 C -2.0971 1.6648 0.5706 C.ar 1 UNL111111111 -0.0627 16 C -2.6229 -1.1929 0.3306 C.ar 1 UNL111111111 -0.1278 17 C 3.1791 -0.6005 0.3537 C.ar 1 UNL111111111 0.0998 18 C -1.6338 -3.0991 -0.8213 C.ar 1 UNL111111111 -0.1232 19 C -2.7388 -2.3854 -0.3658 C.ar 1 UNL111111111 0.0083 20 C 4.5911 -0.5868 -0.1341 C.2 1 UNL111111111 0.5958 21 C -1.7109 2.1023 -0.6958 C.ar 1 UNL111111111 0.0277 22 C -3.2449 2.1936 1.1535 C.ar 1 UNL111111111 -0.1006 23 C -2.4469 3.0356 -1.4084 C.ar 1 UNL111111111 -0.1610 24 C -3.9996 3.1327 0.4493 C.ar 1 UNL111111111 -0.1560 25 C -3.6061 3.5478 -0.8220 C.ar 1 UNL111111111 -0.1150 26 C 6.3822 0.7069 -1.1695 C.3 1 UNL111111111 -0.2299 27 C 4.1370 1.7349 -0.8558 C.3 1 UNL111111111 -0.2380 28 H 0.1314 -0.6775 3.3105 H 1 UNL111111111 0.1726 29 H 1.1095 0.8177 3.5039 H 1 UNL111111111 0.2095 30 H 0.5307 -3.1464 -0.8835 H 1 UNL111111111 0.2043 31 H -3.5092 -0.6384 0.6515 H 1 UNL111111111 0.1845 32 H -1.7550 -4.0232 -1.3916 H 1 UNL111111111 0.1829 33 H -3.5406 1.8825 2.1556 H 1 UNL111111111 0.1674 34 H -2.1338 3.3658 -2.3987 H 1 UNL111111111 0.1751 35 H -4.9006 3.5468 0.9001 H 1 UNL111111111 0.1585 36 H -4.2036 4.2815 -1.3627 H 1 UNL111111111 0.1563 37 H 6.9091 -0.2689 -1.1543 H 1 UNL111111111 0.1760 38 H 6.8833 1.3735 -0.4476 H 1 UNL111111111 0.1376 39 H 6.4851 1.1265 -2.1848 H 1 UNL111111111 0.1442 40 H 3.1171 1.4964 -1.2132 H 1 UNL111111111 0.1589 41 H 4.5556 2.4891 -1.5419 H 1 UNL111111111 0.1512 42 H 4.0534 2.1847 0.1511 H 1 UNL111111111 0.1535 @BOND 1 1 19 1 2 2 21 1 3 3 20 2 4 4 6 ar 5 4 9 1 6 4 11 ar 7 5 12 2 8 5 13 1 9 6 17 ar 10 7 11 ar 11 7 17 ar 12 8 20 am 13 8 26 1 14 8 27 1 15 9 10 ar 16 9 14 ar 17 10 12 1 18 10 16 ar 19 11 13 1 20 12 15 1 21 13 28 1 22 13 29 1 23 14 18 ar 24 14 30 1 25 15 21 ar 26 15 22 ar 27 16 19 ar 28 16 31 1 29 17 20 1 30 18 19 ar 31 18 32 1 32 21 23 ar 33 22 24 ar 34 22 33 1 35 23 25 ar 36 23 34 1 37 24 25 ar 38 24 35 1 39 25 36 1 40 26 37 1 41 26 38 1 42 26 39 1 43 27 40 1 44 27 41 1 45 27 42 1