@MOLECULE 1-isopropyl-n-[2-(4-methoxy-1-piperidinyl)-4-pyrimidinyl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.9868 -2.3191 -0.5289 C.ar 1 UNL111111111 -0.0659 2 C 1.9985 1.1166 -0.2282 C.ar 1 UNL111111111 0.1920 3 C 0.7442 1.6164 0.1557 C.ar 1 UNL111111111 -0.3133 4 C 3.9020 0.9312 -1.5202 C.ar 1 UNL111111111 -0.2122 5 C 0.2246 2.6269 -0.6442 C.ar 1 UNL111111111 0.3705 6 C 2.0569 2.6883 -2.0939 C.ar 1 UNL111111111 0.1335 7 C 2.6750 1.6492 -1.3799 C.ar 1 UNL111111111 -0.1983 8 C 3.9582 0.0091 -0.4883 C.ar 1 UNL111111111 0.1035 9 C 4.9814 -0.9559 -0.2053 C.ar 1 UNL111111111 -0.1694 10 C 2.5807 0.3341 2.7445 C.3 1 UNL111111111 -0.4766 11 C 1.2438 -1.4012 1.4740 C.3 1 UNL111111111 -0.4693 12 C 2.5656 -0.6266 1.5479 C.3 1 UNL111111111 0.1253 13 N 2.7941 0.1154 0.3037 N.ar 1 UNL111111111 -0.3024 14 N 0.8677 3.1669 -1.7381 N.ar 1 UNL111111111 -0.4709 15 N 6.1853 -2.8271 -0.0666 N.ar 1 UNL111111111 -0.1856 16 N 6.9391 -1.8650 0.5241 N.ar 1 UNL111111111 -0.2421 17 C 6.2310 -0.7157 0.4532 C.ar 1 UNL111111111 -0.0418 18 N -0.9897 3.3039 -0.3736 N.pl3 1 UNL111111111 -0.4703 19 C -2.1485 2.6835 0.0670 C.ar 1 UNL111111111 0.4794 20 C -3.3210 3.4607 0.2547 C.ar 1 UNL111111111 -0.4883 21 C -4.4403 2.7927 0.7453 C.ar 1 UNL111111111 0.1943 22 N -4.4452 1.4769 1.0194 N.ar 1 UNL111111111 -0.5624 23 C -3.2773 0.7835 0.8067 C.ar 1 UNL111111111 0.5498 24 N -2.1257 1.3529 0.3287 N.ar 1 UNL111111111 -0.6035 25 N -3.2146 -0.5466 1.1972 N.pl3 1 UNL111111111 -0.3781 26 C -2.2164 -1.4105 0.5351 C.3 1 UNL111111111 -0.0754 27 C -2.7578 -2.0250 -0.7636 C.3 1 UNL111111111 -0.3379 28 C -4.0693 -2.7766 -0.4875 C.3 1 UNL111111111 0.1217 29 C -5.0912 -1.8536 0.1925 C.3 1 UNL111111111 -0.3657 30 C -4.4846 -1.2484 1.4674 C.3 1 UNL111111111 -0.0770 31 O -4.5171 -3.1327 -1.7878 O.3 1 UNL111111111 -0.3926 32 C -5.5311 -4.1163 -1.8057 C.3 1 UNL111111111 -0.1987 33 H 4.2496 -2.9086 -1.0376 H 1 UNL111111111 0.1822 34 H 0.2017 1.2317 1.0133 H 1 UNL111111111 0.2001 35 H 4.6317 1.0810 -2.2870 H 1 UNL111111111 0.1720 36 H 2.5276 3.1420 -2.9738 H 1 UNL111111111 0.1729 37 H 2.4079 -0.2059 3.6813 H 1 UNL111111111 0.1558 38 H 3.5431 0.8531 2.8281 H 1 UNL111111111 0.1556 39 H 1.8056 1.1079 2.6591 H 1 UNL111111111 0.1709 40 H 0.3757 -0.7335 1.5705 H 1 UNL111111111 0.1711 41 H 1.1444 -1.9334 0.5198 H 1 UNL111111111 0.1588 42 H 1.1801 -2.1392 2.2805 H 1 UNL111111111 0.1512 43 H 3.4118 -1.3617 1.6613 H 1 UNL111111111 0.1441 44 H 6.5472 -3.7561 -0.1280 H 1 UNL111111111 0.3292 45 H 6.5994 0.2153 0.8457 H 1 UNL111111111 0.1903 46 H -1.1039 4.1959 -0.8670 H 1 UNL111111111 0.3344 47 H -3.3428 4.5171 0.0371 H 1 UNL111111111 0.1845 48 H -5.3914 3.3123 0.9266 H 1 UNL111111111 0.1701 49 H -1.2899 -0.8230 0.3177 H 1 UNL111111111 0.1806 50 H -1.9354 -2.2040 1.2628 H 1 UNL111111111 0.1398 51 H -2.9327 -1.2347 -1.5228 H 1 UNL111111111 0.1743 52 H -2.0125 -2.7030 -1.2163 H 1 UNL111111111 0.1577 53 H -3.8918 -3.6927 0.1135 H 1 UNL111111111 0.1090 54 H -5.3899 -1.0479 -0.5090 H 1 UNL111111111 0.1746 55 H -6.0193 -2.3979 0.4322 H 1 UNL111111111 0.1465 56 H -4.2648 -2.0415 2.2169 H 1 UNL111111111 0.1397 57 H -5.2106 -0.5480 1.9465 H 1 UNL111111111 0.1776 58 H -5.6814 -4.2925 -2.8795 H 1 UNL111111111 0.1468 59 H -5.2022 -5.0361 -1.3141 H 1 UNL111111111 0.1159 60 H -6.4532 -3.7391 -1.3536 H 1 UNL111111111 0.1218 @BOND 1 1 15 ar 2 1 33 1 3 2 13 ar 4 2 7 ar 5 3 2 ar 6 3 34 1 7 4 35 1 8 5 3 ar 9 5 14 ar 10 6 7 ar 11 6 36 1 12 7 4 ar 13 8 4 ar 14 8 9 1 15 9 1 ar 16 10 12 1 17 10 37 1 18 10 38 1 19 10 39 1 20 11 12 1 21 11 40 1 22 11 41 1 23 11 42 1 24 12 13 1 25 12 43 1 26 13 8 ar 27 14 6 ar 28 15 44 1 29 16 15 ar 30 17 9 ar 31 17 16 ar 32 17 45 1 33 18 5 1 34 18 46 1 35 19 18 1 36 20 19 ar 37 20 47 1 38 21 20 ar 39 21 48 1 40 22 21 ar 41 22 23 ar 42 23 24 ar 43 24 19 ar 44 25 23 1 45 25 30 1 46 26 25 1 47 26 49 1 48 26 50 1 49 27 26 1 50 27 28 1 51 27 51 1 52 27 52 1 53 28 29 1 54 28 53 1 55 29 30 1 56 29 54 1 57 29 55 1 58 30 56 1 59 30 57 1 60 31 32 1 61 31 28 1 62 32 58 1 63 32 59 1 64 32 60 1