@MOLECULE 7-(butylamino)-2-[(5-chloro-2-methylphenyl)amino]-5-methyl-1h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.5189 1.7877 -0.6525 Cl 1 UNL11 -0.0844 2 N 1.4608 0.2345 0.0558 N.ar 1 UNL11 -0.3679 3 N 3.7131 -0.4096 -0.1635 N.pl3 1 UNL11 -0.5231 4 N 0.6836 -1.0492 -0.0672 N.ar 1 UNL11 -0.4861 5 N -0.7872 0.6851 0.1879 N.ar 1 UNL11 -0.5160 6 N -1.6762 -1.5640 -0.2127 N.pl3 1 UNL11 -0.5019 7 N 0.7775 2.5491 0.3943 N.ar 1 UNL11 -0.4803 8 C 2.7986 0.5872 0.0507 C.ar 1 UNL11 0.4308 9 C 5.1541 -0.1355 -0.0436 C.3 1 UNL11 -0.0642 10 C 5.9475 -1.4355 -0.2453 C.3 1 UNL11 -0.2951 11 C 0.4680 1.2405 0.2284 C.ar 1 UNL11 0.5258 12 C 7.4508 -1.1307 -0.2539 C.3 1 UNL11 -0.2450 13 C -0.6398 -0.6621 -0.0315 C.ar 1 UNL11 0.5193 14 C 3.1195 1.9476 0.2167 C.ar 1 UNL11 -0.5196 15 C 2.0800 2.8809 0.3852 C.ar 1 UNL11 0.3500 16 C -3.0471 -1.2482 -0.0426 C.ar 1 UNL11 0.2026 17 C 8.2611 -2.4169 -0.4078 C.3 1 UNL11 -0.4395 18 C -3.9297 -2.2699 0.3782 C.ar 1 UNL11 -0.0653 19 C 2.3876 4.3302 0.5712 C.3 1 UNL11 -0.4569 20 C -3.5446 0.0223 -0.3605 C.ar 1 UNL11 -0.1976 21 C -5.2959 -2.0013 0.4578 C.ar 1 UNL11 -0.1229 22 C -3.4352 -3.6284 0.7467 C.3 1 UNL11 -0.4464 23 C -4.9091 0.2379 -0.2586 C.ar 1 UNL11 0.0521 24 C -5.8044 -0.7437 0.1404 C.ar 1 UNL11 -0.2072 25 H 5.4384 0.6162 -0.8184 H 1 UNL11 0.1514 26 H 5.3848 0.3112 0.9516 H 1 UNL11 0.1415 27 H 5.6564 -1.9201 -1.1980 H 1 UNL11 0.1518 28 H 5.7125 -2.1619 0.5557 H 1 UNL11 0.1457 29 H 3.4193 -1.3719 -0.1077 H 1 UNL11 0.3141 30 H 7.7429 -0.6120 0.6795 H 1 UNL11 0.1378 31 H 7.6934 -0.4324 -1.0787 H 1 UNL11 0.1389 32 H 1.0612 -1.8865 -0.4512 H 1 UNL11 0.2802 33 H 4.1452 2.2826 0.2160 H 1 UNL11 0.1827 34 H -1.4306 -2.5490 -0.1509 H 1 UNL11 0.3142 35 H 8.0111 -2.9426 -1.3365 H 1 UNL11 0.1453 36 H 9.3372 -2.2081 -0.4305 H 1 UNL11 0.1446 37 H 8.0810 -3.1095 0.4223 H 1 UNL11 0.1447 38 H 2.9498 4.7311 -0.2838 H 1 UNL11 0.1661 39 H 1.4665 4.9328 0.6712 H 1 UNL11 0.1867 40 H 2.9840 4.4953 1.4798 H 1 UNL11 0.1666 41 H -2.8678 0.8323 -0.6695 H 1 UNL11 0.2287 42 H -5.9808 -2.7862 0.7782 H 1 UNL11 0.1543 43 H -2.6539 -3.5839 1.5203 H 1 UNL11 0.1583 44 H -4.2337 -4.2624 1.1613 H 1 UNL11 0.1619 45 H -3.0378 -4.1693 -0.1243 H 1 UNL11 0.1535 46 H -6.8718 -0.5463 0.2095 H 1 UNL11 0.1696 @BOND 1 1 23 1 2 2 4 ar 3 2 8 ar 4 2 11 ar 5 3 8 1 6 3 9 1 7 3 29 1 8 4 13 ar 9 4 32 1 10 5 11 ar 11 5 13 ar 12 6 13 1 13 6 16 1 14 6 34 1 15 7 11 ar 16 7 15 ar 17 8 14 ar 18 9 10 1 19 9 25 1 20 9 26 1 21 10 12 1 22 10 27 1 23 10 28 1 24 12 17 1 25 12 30 1 26 12 31 1 27 14 15 ar 28 14 33 1 29 15 19 1 30 16 18 ar 31 16 20 ar 32 17 35 1 33 17 36 1 34 17 37 1 35 18 21 ar 36 18 22 1 37 19 38 1 38 19 39 1 39 19 40 1 40 20 23 ar 41 20 41 1 42 21 24 ar 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1 47 23 24 ar 48 24 46 1