@MOLECULE 2-{5-[1-ethyl-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl}-1-(1-pyrrolidinyl)ethanone 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.5547 4.1874 0.8020 C.3 1 UNL1111 -0.4672 2 C 5.7674 3.3939 -0.4878 C.3 1 UNL1111 -0.0323 3 N 5.1837 2.0582 -0.3750 N.ar 1 UNL1111 -0.1431 4 N 5.9765 0.9644 -0.1678 N.ar 1 UNL1111 -0.2218 5 C 5.1753 -0.1063 -0.0170 C.ar 1 UNL1111 -0.0291 6 C 3.8013 0.2923 -0.1001 C.ar 1 UNL1111 -0.3474 7 C 2.5271 -0.3422 -0.0422 C.ar 1 UNL1111 0.4107 8 N 2.5159 -1.6979 0.0586 N.pl3 1 UNL1111 -0.5041 9 C 1.3552 -2.5798 -0.1263 C.3 1 UNL1111 0.1046 10 C 0.9711 -3.2299 1.2160 C.3 1 UNL1111 -0.3497 11 C -0.1814 -4.2043 0.9665 C.3 1 UNL1111 -0.0351 12 O 0.1809 -5.1808 0.0067 O.3 1 UNL1111 -0.3900 13 C 0.5226 -4.6366 -1.2526 C.3 1 UNL1111 -0.0346 14 C 1.7223 -3.6905 -1.1354 C.3 1 UNL1111 -0.3518 15 C 1.4099 0.5218 -0.1119 C.ar 1 UNL1111 -0.3923 16 C 1.5928 1.9182 -0.3727 C.ar 1 UNL1111 0.2093 17 N 2.7645 2.5272 -0.4783 N.ar 1 UNL1111 -0.4492 18 C 3.8508 1.7087 -0.3192 C.ar 1 UNL1111 0.2924 19 C 0.0570 0.1246 0.1217 C.ar 1 UNL1111 0.2925 20 O -0.2304 -0.4375 1.3729 O.2 1 UNL1111 -0.0170 21 N -1.5764 -0.6858 1.4031 N.ar 1 UNL1111 -0.2701 22 C -2.0812 -0.2593 0.2431 C.ar 1 UNL1111 0.2533 23 C -3.5022 -0.2709 -0.1646 C.3 1 UNL1111 -0.3486 24 N -1.0532 0.2323 -0.5914 N.ar 1 UNL1111 -0.4435 25 N -5.3982 1.3056 -0.3447 N.am 1 UNL1111 -0.5077 26 C -4.1320 1.0777 0.1571 C.2 1 UNL1111 0.5789 27 C -6.1144 2.5391 0.0382 C.3 1 UNL1111 -0.0530 28 C -6.3306 0.2427 -0.7531 C.3 1 UNL1111 -0.0588 29 O -3.5474 1.9557 0.7545 O.2 1 UNL1111 -0.5024 30 C -7.6061 2.1623 0.1007 C.3 1 UNL1111 -0.2897 31 C -7.7369 0.8812 -0.7418 C.3 1 UNL1111 -0.2799 32 H 4.4828 4.2987 1.0288 H 1 UNL1111 0.1752 33 H 6.0217 3.6939 1.6636 H 1 UNL1111 0.1607 34 H 5.9806 5.1932 0.7188 H 1 UNL1111 0.1555 35 H 5.2757 3.9091 -1.3502 H 1 UNL1111 0.1617 36 H 6.8546 3.2955 -0.7211 H 1 UNL1111 0.1636 37 H 5.5767 -1.0903 0.1443 H 1 UNL1111 0.1799 38 H 3.4033 -2.1732 0.1869 H 1 UNL1111 0.3169 39 H 0.4914 -2.0028 -0.5441 H 1 UNL1111 0.1567 40 H 1.8355 -3.7649 1.6513 H 1 UNL1111 0.1590 41 H 0.6784 -2.4673 1.9639 H 1 UNL1111 0.1742 42 H -0.4060 -4.8209 1.8567 H 1 UNL1111 0.1455 43 H -1.1018 -3.6863 0.6441 H 1 UNL1111 0.1242 44 H 0.7620 -5.5405 -1.8431 H 1 UNL1111 0.1416 45 H -0.3575 -4.1359 -1.6934 H 1 UNL1111 0.1201 46 H 1.9778 -3.2599 -2.1202 H 1 UNL1111 0.1583 47 H 2.6111 -4.2540 -0.7964 H 1 UNL1111 0.1572 48 H 0.7019 2.5626 -0.4928 H 1 UNL1111 0.1976 49 H -3.5825 -0.4735 -1.2601 H 1 UNL1111 0.1985 50 H -4.0559 -1.0847 0.3560 H 1 UNL1111 0.1849 51 H -5.7359 2.9388 1.0043 H 1 UNL1111 0.1584 52 H -5.9156 3.3127 -0.7354 H 1 UNL1111 0.1454 53 H -6.0563 -0.1162 -1.7678 H 1 UNL1111 0.1386 54 H -6.2844 -0.6235 -0.0602 H 1 UNL1111 0.1269 55 H -7.9228 1.9830 1.1425 H 1 UNL1111 0.1453 56 H -8.2456 2.9713 -0.2843 H 1 UNL1111 0.1449 57 H -8.0649 1.1212 -1.7677 H 1 UNL1111 0.1449 58 H -8.4898 0.1952 -0.3252 H 1 UNL1111 0.1413 @BOND 1 1 32 1 2 1 33 1 3 1 34 1 4 2 1 1 5 2 35 1 6 2 36 1 7 3 2 1 8 3 18 ar 9 4 3 ar 10 4 5 ar 11 5 6 ar 12 5 37 1 13 6 18 ar 14 6 7 ar 15 7 15 ar 16 8 7 1 17 8 38 1 18 9 8 1 19 9 10 1 20 9 39 1 21 10 40 1 22 10 41 1 23 11 10 1 24 11 42 1 25 11 43 1 26 12 11 1 27 13 12 1 28 13 14 1 29 13 44 1 30 13 45 1 31 14 9 1 32 14 46 1 33 14 47 1 34 15 16 ar 35 15 19 1 36 16 48 1 37 17 16 ar 38 18 17 ar 39 19 20 ar 40 20 21 ar 41 22 21 ar 42 23 22 1 43 23 26 1 44 23 49 1 45 23 50 1 46 24 19 ar 47 24 22 ar 48 25 26 am 49 26 29 2 50 27 25 1 51 27 51 1 52 27 52 1 53 28 25 1 54 28 53 1 55 28 54 1 56 30 27 1 57 30 31 1 58 30 55 1 59 30 56 1 60 31 28 1 61 31 57 1 62 31 58 1