@MOLECULE 3-[2-(benzyloxy)-8-methyl-6-quinolinyl]-1-isopropyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.3922 -2.9385 -0.5951 C.3 1 UNL1111 -0.4710 2 C -6.4051 -1.8016 0.4316 C.3 1 UNL1111 0.1522 3 C -6.3569 -2.3405 1.8650 C.3 1 UNL1111 -0.4721 4 N -5.2565 -0.9075 0.1963 N.ar 1 UNL1111 -0.1745 5 N -3.9666 -1.3608 0.2643 N.ar 1 UNL1111 -0.2084 6 C -5.2837 0.4438 -0.0780 C.ar 1 UNL1111 0.2952 7 N -6.3610 1.2655 -0.2265 N.ar 1 UNL1111 -0.5241 8 C -6.0446 2.5412 -0.5112 C.ar 1 UNL1111 0.3109 9 N -4.7966 3.0577 -0.6641 N.ar 1 UNL1111 -0.5895 10 C -3.7163 2.2358 -0.5135 C.ar 1 UNL1111 0.4949 11 N -2.4833 2.7918 -0.6668 N.pl3 1 UNL1111 -0.5677 12 C -3.9147 0.8695 -0.1990 C.ar 1 UNL1111 -0.3864 13 C -3.1444 -0.3174 0.0334 C.ar 1 UNL1111 0.1020 14 C -1.6917 -0.3986 0.0209 C.ar 1 UNL1111 -0.0184 15 C -0.9625 0.3017 0.9542 C.ar 1 UNL1111 -0.1355 16 C -1.0477 -1.1553 -0.9900 C.ar 1 UNL1111 -0.1402 17 C 0.3226 -1.1742 -1.0868 C.ar 1 UNL1111 0.0260 18 C 1.0157 -1.9551 -2.1453 C.3 1 UNL1111 -0.4351 19 C 1.0985 -0.4205 -0.1466 C.ar 1 UNL1111 0.1871 20 N 2.4698 -0.4196 -0.2660 N.ar 1 UNL1111 -0.5066 21 C 0.4498 0.3070 0.8836 C.ar 1 UNL1111 -0.1329 22 C 1.2477 1.0320 1.8197 C.ar 1 UNL1111 -0.0483 23 C 2.6078 1.0303 1.7062 C.ar 1 UNL1111 -0.2762 24 C 3.1675 0.2752 0.6228 C.ar 1 UNL1111 0.4013 25 O 4.5106 0.3081 0.5566 O.3 1 UNL1111 -0.3143 26 C 5.1197 -0.4132 -0.5360 C.3 1 UNL1111 -0.0426 27 C 6.5865 -0.2339 -0.3038 C.ar 1 UNL1111 -0.0314 28 C 7.4313 0.0573 -1.3756 C.ar 1 UNL1111 -0.1563 29 C 8.7984 0.2104 -1.1563 C.ar 1 UNL1111 -0.1466 30 C 9.3197 0.0821 0.1306 C.ar 1 UNL1111 -0.1481 31 C 8.4729 -0.2024 1.2005 C.ar 1 UNL1111 -0.1481 32 C 7.1060 -0.3647 0.9849 C.ar 1 UNL1111 -0.1338 33 H -7.2362 -3.6178 -0.4394 H 1 UNL1111 0.1531 34 H -6.4522 -2.5542 -1.6206 H 1 UNL1111 0.1578 35 H -5.4673 -3.5291 -0.5248 H 1 UNL1111 0.1730 36 H -7.3279 -1.1656 0.2907 H 1 UNL1111 0.1663 37 H -5.4482 -2.9352 2.0372 H 1 UNL1111 0.1727 38 H -6.3527 -1.5265 2.6005 H 1 UNL1111 0.1589 39 H -7.2222 -2.9774 2.0742 H 1 UNL1111 0.1535 40 H -6.8809 3.2505 -0.6404 H 1 UNL1111 0.1968 41 H -2.3931 3.7572 -0.9218 H 1 UNL1111 0.3246 42 H -1.6589 2.2249 -0.6280 H 1 UNL1111 0.3219 43 H -1.4603 0.8531 1.7529 H 1 UNL1111 0.1697 44 H -1.6667 -1.7228 -1.6874 H 1 UNL1111 0.1737 45 H 1.5808 -1.2902 -2.8191 H 1 UNL1111 0.1681 46 H 1.7598 -2.6412 -1.7071 H 1 UNL1111 0.1709 47 H 0.3310 -2.5530 -2.7584 H 1 UNL1111 0.1514 48 H 0.7475 1.5814 2.6198 H 1 UNL1111 0.1660 49 H 3.2695 1.5624 2.3822 H 1 UNL1111 0.1857 50 H 4.8100 -1.4764 -0.4862 H 1 UNL1111 0.1589 51 H 4.7590 0.0199 -1.4874 H 1 UNL1111 0.1521 52 H 7.0269 0.1676 -2.3798 H 1 UNL1111 0.1525 53 H 9.4603 0.4343 -1.9906 H 1 UNL1111 0.1490 54 H 10.3873 0.2058 0.2995 H 1 UNL1111 0.1489 55 H 8.8788 -0.2984 2.2055 H 1 UNL1111 0.1501 56 H 6.4413 -0.5875 1.8197 H 1 UNL1111 0.1629 @BOND 1 1 33 1 2 1 34 1 3 1 35 1 4 2 1 1 5 2 36 1 6 3 2 1 7 3 37 1 8 3 38 1 9 3 39 1 10 4 5 ar 11 4 2 1 12 6 4 ar 13 7 6 ar 14 8 7 ar 15 8 40 1 16 9 10 ar 17 9 8 ar 18 10 12 ar 19 11 10 1 20 11 41 1 21 11 42 1 22 12 6 ar 23 12 13 ar 24 13 5 ar 25 14 13 1 26 15 14 ar 27 15 43 1 28 16 14 ar 29 16 44 1 30 17 16 ar 31 18 17 1 32 18 45 1 33 18 46 1 34 18 47 1 35 19 17 ar 36 19 21 ar 37 20 19 ar 38 21 15 ar 39 22 21 ar 40 22 48 1 41 23 22 ar 42 23 49 1 43 24 20 ar 44 24 23 ar 45 25 24 1 46 26 25 1 47 26 27 1 48 26 50 1 49 26 51 1 50 27 32 ar 51 28 27 ar 52 28 29 ar 53 28 52 1 54 29 30 ar 55 29 53 1 56 30 31 ar 57 30 54 1 58 31 55 1 59 32 31 ar 60 32 56 1