@MOLECULE 3-{6-[(3-chlorobenzyl)oxy]-2-naphthyl}-1-isopropyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.1112 3.0533 -0.9972 C.3 1 UNL1111 -0.4694 2 C 7.0698 2.1377 0.2298 C.3 1 UNL1111 0.1527 3 C 6.8204 2.9342 1.5151 C.3 1 UNL1111 -0.4733 4 N 6.0105 1.1256 0.0599 N.ar 1 UNL1111 -0.1724 5 N 4.7034 1.4814 -0.1332 N.ar 1 UNL1111 -0.2121 6 C 6.1319 -0.2447 0.1552 C.ar 1 UNL1111 0.2964 7 N 7.2559 -0.9920 0.3455 N.ar 1 UNL1111 -0.5224 8 C 7.0378 -2.3186 0.3673 C.ar 1 UNL1111 0.3106 9 N 5.8436 -2.9510 0.2181 N.ar 1 UNL1111 -0.5876 10 C 4.7170 -2.2030 0.0286 C.ar 1 UNL1111 0.4942 11 N 3.5399 -2.8737 -0.1085 N.pl3 1 UNL1111 -0.5710 12 C 4.8095 -0.7905 -0.0057 C.ar 1 UNL1111 -0.3887 13 C 3.9637 0.3543 -0.1791 C.ar 1 UNL1111 0.0998 14 C 2.5215 0.3440 -0.3704 C.ar 1 UNL1111 -0.0321 15 C 1.7005 -0.1353 0.6213 C.ar 1 UNL1111 -0.1252 16 C 1.9775 0.8151 -1.5969 C.ar 1 UNL1111 -0.0939 17 C 0.6262 0.7699 -1.8094 C.ar 1 UNL1111 -0.1749 18 C -0.2491 0.2660 -0.8035 C.ar 1 UNL1111 0.0698 19 C -1.6482 0.2196 -1.0028 C.ar 1 UNL1111 -0.2859 20 C 0.2953 -0.1837 0.4228 C.ar 1 UNL1111 -0.0774 21 C -0.5728 -0.6676 1.4379 C.ar 1 UNL1111 -0.0777 22 C -1.9303 -0.7063 1.2457 C.ar 1 UNL1111 -0.2763 23 C -2.4585 -0.2568 0.0092 C.ar 1 UNL1111 0.2540 24 O -3.7789 -0.2680 -0.3157 O.3 1 UNL1111 -0.3258 25 C -4.7102 -0.5410 0.7370 C.3 1 UNL1111 -0.0598 26 C -6.0535 -0.3764 0.0913 C.ar 1 UNL1111 -0.0016 27 C -7.0954 0.2179 0.8058 C.ar 1 UNL1111 -0.1908 28 C -8.3298 0.3340 0.1819 C.ar 1 UNL1111 0.0339 29 CL -9.6162 1.0586 1.0490 Cl 1 UNL1111 -0.0874 30 C -8.5654 -0.1056 -1.1144 C.ar 1 UNL1111 -0.1743 31 C -7.5096 -0.6884 -1.8147 C.ar 1 UNL1111 -0.1217 32 C -6.2591 -0.8270 -1.2141 C.ar 1 UNL1111 -0.1449 33 H 6.1549 3.5791 -1.1353 H 1 UNL1111 0.1736 34 H 7.8980 3.8078 -0.8973 H 1 UNL1111 0.1528 35 H 7.3009 2.4851 -1.9163 H 1 UNL1111 0.1582 36 H 8.0378 1.5621 0.3155 H 1 UNL1111 0.1661 37 H 5.8643 3.4755 1.4705 H 1 UNL1111 0.1724 38 H 6.7791 2.2780 2.3933 H 1 UNL1111 0.1586 39 H 7.6155 3.6676 1.6822 H 1 UNL1111 0.1540 40 H 7.9154 -2.9713 0.5188 H 1 UNL1111 0.1971 41 H 3.5273 -3.8763 -0.1071 H 1 UNL1111 0.3247 42 H 2.6912 -2.3817 -0.3075 H 1 UNL1111 0.3217 43 H 2.1133 -0.4696 1.5738 H 1 UNL1111 0.1638 44 H 2.6587 1.2122 -2.3509 H 1 UNL1111 0.1665 45 H 0.1949 1.1234 -2.7444 H 1 UNL1111 0.1599 46 H -2.0804 0.5632 -1.9391 H 1 UNL1111 0.1778 47 H -0.1381 -1.0068 2.3794 H 1 UNL1111 0.1562 48 H -2.5872 -1.0779 2.0251 H 1 UNL1111 0.1627 49 H -4.5631 -1.5802 1.0939 H 1 UNL1111 0.1445 50 H -4.5434 0.1714 1.5671 H 1 UNL1111 0.1450 51 H -6.9411 0.5825 1.8206 H 1 UNL1111 0.1740 52 H -9.5454 0.0013 -1.5783 H 1 UNL1111 0.1731 53 H -7.6635 -1.0374 -2.8357 H 1 UNL1111 0.1592 54 H -5.4345 -1.2822 -1.7664 H 1 UNL1111 0.1733 @BOND 1 1 33 1 2 1 34 1 3 1 35 1 4 2 4 1 5 2 1 1 6 2 36 1 7 3 2 1 8 3 37 1 9 3 38 1 10 3 39 1 11 4 6 ar 12 4 5 ar 13 5 13 ar 14 6 12 ar 15 7 8 ar 16 7 6 ar 17 8 9 ar 18 8 40 1 19 9 10 ar 20 10 11 1 21 11 41 1 22 11 42 1 23 12 10 ar 24 12 13 ar 25 13 14 1 26 14 15 ar 27 15 20 ar 28 15 43 1 29 16 17 ar 30 16 14 ar 31 16 44 1 32 17 18 ar 33 17 45 1 34 18 19 ar 35 18 20 ar 36 19 23 ar 37 19 46 1 38 20 21 ar 39 21 22 ar 40 21 47 1 41 22 48 1 42 23 24 1 43 23 22 ar 44 25 26 1 45 25 24 1 46 25 49 1 47 25 50 1 48 26 32 ar 49 27 26 ar 50 27 28 ar 51 27 51 1 52 28 30 ar 53 29 28 1 54 30 31 ar 55 30 52 1 56 31 53 1 57 32 31 ar 58 32 54 1