@MOLECULE ethyl 4-[(2r)-2-(aminomethyl)-4-morpholinyl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.5390 0.9515 1.1003 C.3 1 UNL1111 -0.4606 2 C 5.5393 1.2727 0.0031 C.3 1 UNL1111 0.0079 3 O 4.5400 0.2456 0.1361 O.3 1 UNL1111 -0.4203 4 C 3.4276 0.3971 -0.6217 C.2 1 UNL1111 0.6232 5 O 3.2787 1.3383 -1.3607 O.2 1 UNL1111 -0.5039 6 C 2.5242 -0.7403 -0.4078 C.ar 1 UNL1111 -0.3641 7 C 3.1113 -2.0362 -0.5200 C.ar 1 UNL1111 0.1643 8 N 2.4294 -3.1728 -0.4349 N.ar 1 UNL1111 -0.4047 9 C 1.0967 -3.0237 -0.1980 C.ar 1 UNL1111 0.2555 10 N 0.1571 -4.0253 -0.0587 N.ar 1 UNL1111 -0.2229 11 N -1.0706 -3.4960 0.2130 N.ar 1 UNL1111 -0.2047 12 C -0.9557 -2.1521 0.2531 C.ar 1 UNL1111 0.1102 13 C -2.0874 -1.2966 0.5797 C.ar 1 UNL1111 -0.0107 14 C -2.0618 -0.5479 1.7615 C.ar 1 UNL1111 -0.0759 15 C -3.1460 0.2600 2.0958 C.ar 1 UNL1111 -0.1707 16 C -4.2506 0.3353 1.2496 C.ar 1 UNL1111 -0.0745 17 C -4.2670 -0.4098 0.0655 C.ar 1 UNL1111 -0.0482 18 C -5.3834 -0.3228 -0.8101 C.1 1 UNL1111 0.1201 19 N -6.2905 -0.2517 -1.5257 N.1 1 UNL1111 -0.2468 20 C -3.1896 -1.2354 -0.2721 C.ar 1 UNL1111 -0.0877 21 C 0.4084 -1.7700 -0.0212 C.ar 1 UNL1111 -0.2440 22 C 1.1597 -0.5868 -0.1467 C.ar 1 UNL1111 0.3516 23 N 0.4504 0.6418 0.0407 N.pl3 1 UNL1111 -0.4353 24 C 1.0757 1.5495 1.0320 C.3 1 UNL1111 -0.1541 25 C 0.0477 2.6676 1.2793 C.3 1 UNL1111 -0.0329 26 O -0.1759 3.3780 0.0775 O.3 1 UNL1111 -0.4013 27 C -0.6633 2.5969 -0.9938 C.3 1 UNL1111 0.0751 28 C -2.1437 2.2289 -0.7609 C.3 1 UNL1111 -0.1677 29 N -2.9677 3.3745 -0.3375 N.3 1 UNL1111 -0.6231 30 C 0.2016 1.3426 -1.2462 C.3 1 UNL1111 -0.1582 31 H 7.3679 1.6684 1.1013 H 1 UNL1111 0.1533 32 H 6.0674 0.9791 2.0918 H 1 UNL1111 0.1606 33 H 6.9622 -0.0543 0.9768 H 1 UNL1111 0.1601 34 H 5.0616 2.2605 0.1307 H 1 UNL1111 0.1375 35 H 5.9669 1.2002 -1.0121 H 1 UNL1111 0.1347 36 H 4.1959 -2.1362 -0.6956 H 1 UNL1111 0.1942 37 H 0.2698 -5.0187 -0.1170 H 1 UNL1111 0.3490 38 H -1.1879 -0.5967 2.4120 H 1 UNL1111 0.1630 39 H -3.1283 0.8422 3.0160 H 1 UNL1111 0.1609 40 H -5.0912 0.9853 1.4978 H 1 UNL1111 0.1674 41 H -3.2099 -1.8266 -1.1892 H 1 UNL1111 0.1741 42 H 1.2813 0.9872 1.9656 H 1 UNL1111 0.1474 43 H 2.0330 1.9943 0.6834 H 1 UNL1111 0.1484 44 H -0.9059 2.2662 1.6670 H 1 UNL1111 0.1356 45 H 0.4378 3.4470 1.9569 H 1 UNL1111 0.1387 46 H -0.5540 3.3145 -1.8416 H 1 UNL1111 0.1432 47 H -2.5808 1.7828 -1.6780 H 1 UNL1111 0.1472 48 H -2.2125 1.4458 0.0296 H 1 UNL1111 0.1695 49 H -2.5313 3.8592 0.4342 H 1 UNL1111 0.2519 50 H -3.0944 4.0375 -1.0865 H 1 UNL1111 0.2431 51 H 1.1500 1.6455 -1.7507 H 1 UNL1111 0.1701 52 H -0.3263 0.6435 -1.9305 H 1 UNL1111 0.1543 @BOND 1 1 2 1 2 1 31 1 3 1 32 1 4 1 33 1 5 2 3 1 6 2 34 1 7 2 35 1 8 3 4 1 9 4 5 2 10 4 6 1 11 6 7 ar 12 6 22 ar 13 7 8 ar 14 7 36 1 15 8 9 ar 16 9 10 ar 17 9 21 ar 18 10 11 ar 19 10 37 1 20 11 12 ar 21 12 13 1 22 12 21 ar 23 13 14 ar 24 13 20 ar 25 14 15 ar 26 14 38 1 27 15 16 ar 28 15 39 1 29 16 17 ar 30 16 40 1 31 17 18 1 32 17 20 ar 33 18 19 3 34 20 41 1 35 21 22 ar 36 22 23 1 37 23 24 1 38 23 30 1 39 24 25 1 40 24 42 1 41 24 43 1 42 25 26 1 43 25 44 1 44 25 45 1 45 26 27 1 46 27 28 1 47 27 30 1 48 27 46 1 49 28 29 1 50 28 47 1 51 28 48 1 52 29 49 1 53 29 50 1 54 30 51 1 55 30 52 1