@MOLECULE 3-(7-ethoxy-2-naphthyl)-1-(4-piperidinylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.7600 -3.0151 -0.7398 N.pl3 1 UNL1111 -0.5668 2 C -0.5738 -2.7831 -0.6075 C.ar 1 UNL1111 0.4918 3 C -1.1125 -1.6864 0.1104 C.ar 1 UNL1111 -0.3842 4 C -0.6747 -0.5577 0.8814 C.ar 1 UNL1111 0.1003 5 N -1.7444 0.1119 1.3610 N.ar 1 UNL1111 -0.2186 6 N -2.8740 -0.5439 0.9560 N.ar 1 UNL1111 -0.1473 7 C -4.1941 0.0426 1.1655 C.3 1 UNL1111 -0.0737 8 C -4.6418 0.8611 -0.0672 C.3 1 UNL1111 -0.1184 9 C -6.1627 1.0684 -0.0158 C.3 1 UNL1111 -0.2820 10 C -6.6108 1.9064 -1.2287 C.3 1 UNL1111 -0.1014 11 N -5.9139 3.2137 -1.2138 N.3 1 UNL1111 -0.5449 12 C -4.4430 3.0484 -1.2972 C.3 1 UNL1111 -0.1033 13 C -3.9471 2.2291 -0.0931 C.3 1 UNL1111 -0.2822 14 C -2.5507 -1.6241 0.1596 C.ar 1 UNL1111 0.2969 15 N -3.3869 -2.5105 -0.4479 N.ar 1 UNL1111 -0.5192 16 C -2.7556 -3.4936 -1.1149 C.ar 1 UNL1111 0.3094 17 N -1.4136 -3.6724 -1.2182 N.ar 1 UNL1111 -0.5885 18 C 0.6984 -0.1511 1.1426 C.ar 1 UNL1111 0.0295 19 C 1.5838 -0.0064 0.1016 C.ar 1 UNL1111 -0.1949 20 C 2.9455 0.3142 0.3619 C.ar 1 UNL1111 0.0719 21 C 3.8879 0.4135 -0.6873 C.ar 1 UNL1111 -0.2930 22 C 5.2065 0.7002 -0.3873 C.ar 1 UNL1111 0.2581 23 O 6.0121 0.7488 -1.4762 O.3 1 UNL1111 -0.3382 24 C 7.4050 1.0133 -1.2713 C.3 1 UNL1111 -0.0224 25 C 7.9807 0.9456 -2.6789 C.3 1 UNL1111 -0.4577 26 C 5.6391 0.9137 0.9469 C.ar 1 UNL1111 -0.2784 27 C 4.7232 0.8239 1.9638 C.ar 1 UNL1111 -0.0813 28 C 3.3618 0.5162 1.6990 C.ar 1 UNL1111 -0.0745 29 C 2.4117 0.4045 2.7516 C.ar 1 UNL1111 -0.1185 30 C 1.1103 0.0731 2.4845 C.ar 1 UNL1111 -0.1514 31 H 1.4348 -2.4394 -0.2750 H 1 UNL1111 0.3241 32 H 1.0827 -3.8212 -1.2430 H 1 UNL1111 0.3253 33 H -4.9067 -0.7981 1.3539 H 1 UNL1111 0.1661 34 H -4.1696 0.6820 2.0791 H 1 UNL1111 0.1709 35 H -4.3828 0.2908 -0.9931 H 1 UNL1111 0.1536 36 H -6.6935 0.1001 -0.0146 H 1 UNL1111 0.1380 37 H -6.4464 1.5943 0.9160 H 1 UNL1111 0.1522 38 H -6.4353 1.3364 -2.1663 H 1 UNL1111 0.1119 39 H -7.7024 2.1061 -1.1641 H 1 UNL1111 0.1303 40 H -6.2511 3.8079 -1.9683 H 1 UNL1111 0.2482 41 H -4.1178 2.5663 -2.2436 H 1 UNL1111 0.1107 42 H -3.9906 4.0641 -1.2716 H 1 UNL1111 0.1346 43 H -4.1593 2.7845 0.8414 H 1 UNL1111 0.1546 44 H -2.8483 2.1107 -0.1372 H 1 UNL1111 0.1521 45 H -3.3860 -4.2375 -1.6323 H 1 UNL1111 0.1960 46 H 1.2582 -0.1190 -0.9328 H 1 UNL1111 0.1705 47 H 3.5787 0.2665 -1.7191 H 1 UNL1111 0.1796 48 H 7.5193 2.0141 -0.8195 H 1 UNL1111 0.1267 49 H 7.8312 0.2403 -0.6089 H 1 UNL1111 0.1251 50 H 7.4866 1.6664 -3.3452 H 1 UNL1111 0.1637 51 H 9.0541 1.1633 -2.6793 H 1 UNL1111 0.1537 52 H 7.8329 -0.0485 -3.1222 H 1 UNL1111 0.1614 53 H 6.6771 1.1470 1.1582 H 1 UNL1111 0.1611 54 H 5.0308 0.9864 2.9975 H 1 UNL1111 0.1521 55 H 2.7407 0.5846 3.7739 H 1 UNL1111 0.1509 56 H 0.3708 -0.0173 3.2803 H 1 UNL1111 0.1697 @BOND 1 1 2 1 2 1 31 1 3 1 32 1 4 2 3 ar 5 2 17 ar 6 3 14 ar 7 4 3 ar 8 4 5 ar 9 5 6 ar 10 7 6 1 11 7 8 1 12 7 33 1 13 7 34 1 14 8 9 1 15 8 13 1 16 8 35 1 17 9 10 1 18 9 36 1 19 9 37 1 20 10 11 1 21 10 38 1 22 10 39 1 23 11 12 1 24 11 40 1 25 12 41 1 26 12 42 1 27 13 12 1 28 13 43 1 29 13 44 1 30 14 6 ar 31 14 15 ar 32 16 15 ar 33 16 45 1 34 17 16 ar 35 18 19 ar 36 18 4 1 37 19 46 1 38 20 21 ar 39 20 19 ar 40 21 47 1 41 22 23 1 42 22 21 ar 43 23 24 1 44 24 48 1 45 24 49 1 46 25 24 1 47 25 50 1 48 25 51 1 49 25 52 1 50 26 22 ar 51 26 53 1 52 27 26 ar 53 27 28 ar 54 27 54 1 55 28 20 ar 56 29 28 ar 57 29 30 ar 58 29 55 1 59 30 18 ar 60 30 56 1