@MOLECULE 6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9746 0.6474 -0.6182 C.ar 1 UNL1111111111 0.1475 2 N 4.9462 1.2984 -1.3430 N.ar 1 UNL1111111111 -0.3694 3 C 3.8590 -0.7678 -0.7542 C.ar 1 UNL1111111111 -0.1431 4 N -1.0431 -1.8352 0.0851 N.ar 1 UNL1111111111 -0.1053 5 C 2.9059 -1.4411 -0.0405 C.ar 1 UNL1111111111 -0.1353 6 N -1.6706 -0.6649 0.2884 N.ar 1 UNL1111111111 -0.2250 7 C 2.0255 -0.7447 0.8321 C.ar 1 UNL1111111111 -0.0062 8 N -5.0377 2.4317 -0.1636 N.ar 1 UNL1111111111 -0.2561 9 C 0.9843 -1.5167 1.6071 C.3 1 UNL1111111111 -0.0700 10 N -3.8910 2.8929 0.4044 N.ar 1 UNL1111111111 -0.0687 11 C 0.1472 -2.2952 0.6555 C.ar 1 UNL1111111111 0.1366 12 N -0.5929 -3.8754 -0.7164 N.ar 1 UNL1111111111 -0.1805 13 C -2.7942 -0.4704 -0.4018 C.ar 1 UNL1111111111 0.2040 14 C -3.4531 0.7924 -0.1927 C.ar 1 UNL1111111111 -0.2114 15 C -4.7958 1.1540 -0.5348 C.ar 1 UNL1111111111 -0.0283 16 C -2.9027 1.9420 0.4109 C.ar 1 UNL1111111111 -0.0196 17 N 0.3702 -3.5339 0.1358 N.ar 1 UNL1111111111 -0.1951 18 C -3.8218 4.2645 0.8752 C.3 1 UNL1111111111 -0.2382 19 C -3.3404 -1.4485 -1.3212 C.ar 1 UNL1111111111 -0.2207 20 C -2.7013 -2.6338 -1.5163 C.ar 1 UNL1111111111 -0.0522 21 C -1.4977 -2.8640 -0.7937 C.ar 1 UNL1111111111 0.0538 22 C 1.6529 -2.4459 2.6260 C.3 1 UNL1111111111 -0.4315 23 C 2.1144 0.6180 0.9705 C.ar 1 UNL1111111111 -0.1566 24 C 3.0965 1.3445 0.2490 C.ar 1 UNL1111111111 -0.0803 25 C 3.2438 2.7546 0.3542 C.ar 1 UNL1111111111 -0.0942 26 C 4.2172 3.3884 -0.3724 C.ar 1 UNL1111111111 -0.2464 27 C 5.0581 2.6080 -1.2222 C.ar 1 UNL1111111111 0.0628 28 H 4.5416 -1.2785 -1.4353 H 1 UNL1111111111 0.1792 29 H 2.7994 -2.5266 -0.1379 H 1 UNL1111111111 0.1837 30 H 0.3160 -0.7990 2.1649 H 1 UNL1111111111 0.1755 31 H -5.5506 0.5497 -1.0062 H 1 UNL1111111111 0.1867 32 H -1.9152 2.0917 0.8101 H 1 UNL1111111111 0.1951 33 H -3.0473 4.3695 1.6548 H 1 UNL1111111111 0.1603 34 H -3.5885 4.9521 0.0378 H 1 UNL1111111111 0.1675 35 H -4.7963 4.5805 1.3019 H 1 UNL1111111111 0.1800 36 H -4.2601 -1.1995 -1.8480 H 1 UNL1111111111 0.1846 37 H -3.0583 -3.4104 -2.1966 H 1 UNL1111111111 0.1913 38 H 2.2503 -3.2253 2.1303 H 1 UNL1111111111 0.1705 39 H 2.3214 -1.8867 3.2901 H 1 UNL1111111111 0.1538 40 H 0.9081 -2.9605 3.2447 H 1 UNL1111111111 0.1531 41 H 1.4385 1.1645 1.6265 H 1 UNL1111111111 0.1597 42 H 2.5773 3.3077 1.0136 H 1 UNL1111111111 0.1541 43 H 4.3662 4.4620 -0.3208 H 1 UNL1111111111 0.1633 44 H 5.8443 3.0911 -1.8161 H 1 UNL1111111111 0.1707 @BOND 1 1 3 ar 2 2 1 ar 3 3 5 ar 4 3 28 1 5 4 11 ar 6 4 21 ar 7 5 29 1 8 6 4 ar 9 7 5 ar 10 7 9 1 11 8 10 ar 12 8 15 ar 13 9 11 1 14 9 22 1 15 9 30 1 16 10 16 ar 17 11 17 ar 18 13 6 ar 19 13 19 ar 20 14 13 1 21 15 14 ar 22 15 31 1 23 16 14 ar 24 16 32 1 25 17 12 ar 26 18 10 1 27 18 33 1 28 18 34 1 29 18 35 1 30 19 20 ar 31 19 36 1 32 20 21 ar 33 20 37 1 34 21 12 ar 35 22 38 1 36 22 39 1 37 22 40 1 38 23 7 ar 39 23 41 1 40 24 1 ar 41 24 23 ar 42 25 24 ar 43 25 42 1 44 26 25 ar 45 26 27 ar 46 26 43 1 47 27 2 ar 48 27 44 1