@MOLECULE 3-(1-naphthylmethyl)-1-(4-piperidinylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.5313 4.2359 -0.3487 N.ar 1 UNL1111 -0.5897 2 C 1.5581 3.7817 -1.1154 C.ar 1 UNL1111 0.3104 3 N 1.9172 2.4996 -1.2931 N.ar 1 UNL1111 -0.5158 4 C 1.1475 1.6046 -0.6125 C.ar 1 UNL1111 0.2981 5 C 0.0352 1.9514 0.2404 C.ar 1 UNL1111 -0.3904 6 C -0.2401 3.3377 0.3301 C.ar 1 UNL1111 0.4946 7 N -1.2467 3.8583 1.0886 N.pl3 1 UNL1111 -0.5767 8 N 1.2443 0.2321 -0.6003 N.ar 1 UNL1111 -0.1386 9 N 0.3074 -0.3085 0.2363 N.ar 1 UNL1111 -0.2525 10 N 5.7333 -2.2269 0.8590 N.3 1 UNL1111 -0.5271 11 C -3.5460 -3.7318 -0.7860 C.ar 1 UNL1111 -0.1371 12 C -2.3699 -3.4981 -0.0326 C.ar 1 UNL1111 -0.1594 13 C -4.9045 0.8742 -0.1354 C.ar 1 UNL1111 -0.1330 14 C -3.7397 1.1177 0.6318 C.ar 1 UNL1111 -0.1793 15 C -4.4439 -2.7167 -0.9887 C.ar 1 UNL1111 -0.1692 16 C -5.1345 -0.3679 -0.6637 C.ar 1 UNL1111 -0.1643 17 C -2.1233 -2.2603 0.5024 C.ar 1 UNL1111 -0.1256 18 C 5.9465 -1.3859 -0.3363 C.3 1 UNL1111 -0.1037 19 C 4.6053 -1.7160 1.6664 C.3 1 UNL1111 -0.1083 20 C 4.6854 -1.2440 -1.2145 C.3 1 UNL1111 -0.3277 21 C 3.2990 -1.5865 0.8609 C.3 1 UNL1111 -0.3256 22 C -1.5825 0.4212 1.6515 C.3 1 UNL1111 -0.2762 23 C 2.2546 -0.6079 -1.2325 C.3 1 UNL1111 -0.0728 24 C -2.8207 0.1199 0.8505 C.ar 1 UNL1111 0.0199 25 C -0.4449 0.6948 0.7362 C.ar 1 UNL1111 0.1404 26 C -4.2062 -1.4234 -0.4455 C.ar 1 UNL1111 0.0061 27 C -3.0369 -1.1860 0.3127 C.ar 1 UNL1111 -0.0188 28 C 3.5311 -0.6914 -0.3645 C.3 1 UNL1111 -0.1138 29 H 2.1490 4.5516 -1.6413 H 1 UNL1111 0.1975 30 H -1.4106 4.8481 1.0918 H 1 UNL1111 0.3251 31 H -1.8973 3.2653 1.5553 H 1 UNL1111 0.3116 32 H 5.5678 -3.1951 0.5891 H 1 UNL1111 0.2472 33 H -3.7193 -4.7229 -1.2001 H 1 UNL1111 0.1475 34 H -1.6643 -4.3143 0.1097 H 1 UNL1111 0.1518 35 H -5.6060 1.6903 -0.2978 H 1 UNL1111 0.1506 36 H -3.5951 2.1147 1.0374 H 1 UNL1111 0.1404 37 H -5.3499 -2.8801 -1.5686 H 1 UNL1111 0.1516 38 H -6.0241 -0.5682 -1.2575 H 1 UNL1111 0.1534 39 H -1.2035 -2.0857 1.0652 H 1 UNL1111 0.1729 40 H 6.2888 -0.3836 0.0054 H 1 UNL1111 0.1465 41 H 6.7824 -1.8209 -0.9228 H 1 UNL1111 0.1318 42 H 4.4643 -2.3949 2.5332 H 1 UNL1111 0.1332 43 H 4.9008 -0.7284 2.0845 H 1 UNL1111 0.1452 44 H 4.8967 -0.5699 -2.0647 H 1 UNL1111 0.1485 45 H 4.4144 -2.2208 -1.6510 H 1 UNL1111 0.1392 46 H 2.9379 -2.5833 0.5514 H 1 UNL1111 0.1434 47 H 2.4973 -1.1658 1.4973 H 1 UNL1111 0.1594 48 H -1.7434 1.2734 2.3447 H 1 UNL1111 0.1576 49 H -1.3403 -0.4351 2.3284 H 1 UNL1111 0.1843 50 H 1.8264 -1.6227 -1.4104 H 1 UNL1111 0.1702 51 H 2.4922 -0.1570 -2.2286 H 1 UNL1111 0.1699 52 H 3.7994 0.3392 -0.0205 H 1 UNL1111 0.1573 @BOND 1 1 6 ar 2 2 1 ar 3 2 29 1 4 3 2 ar 5 3 4 ar 6 4 5 ar 7 5 6 ar 8 6 7 1 9 7 30 1 10 7 31 1 11 8 4 ar 12 8 9 ar 13 9 25 ar 14 10 19 1 15 10 32 1 16 11 33 1 17 12 11 ar 18 12 34 1 19 13 16 ar 20 13 35 1 21 14 13 ar 22 14 24 ar 23 14 36 1 24 15 11 ar 25 15 37 1 26 16 26 ar 27 16 38 1 28 17 12 ar 29 17 39 1 30 18 10 1 31 18 20 1 32 18 40 1 33 18 41 1 34 19 21 1 35 19 42 1 36 19 43 1 37 20 28 1 38 20 44 1 39 20 45 1 40 21 46 1 41 21 47 1 42 22 24 1 43 22 48 1 44 22 49 1 45 23 8 1 46 23 50 1 47 23 51 1 48 24 27 ar 49 25 5 ar 50 25 22 1 51 26 15 ar 52 27 17 ar 53 27 26 ar 54 28 21 1 55 28 23 1 56 28 52 1