@MOLECULE 3-(3-bromobenzyl)-1-(2-methyl-2-propanyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.0866 0.5283 -1.7664 N.ar 1 UNL1111 -0.5296 2 C 2.5105 1.4426 -2.5645 C.ar 1 UNL1111 0.3107 3 N 1.4277 2.2083 -2.2722 N.ar 1 UNL1111 -0.5851 4 C 0.8357 2.0796 -1.0487 C.ar 1 UNL1111 0.4949 5 C 1.3488 1.1527 -0.1081 C.ar 1 UNL1111 -0.3936 6 C 2.4946 0.3903 -0.5454 C.ar 1 UNL1111 0.3080 7 N -0.2262 2.8979 -0.8018 N.pl3 1 UNL1111 -0.5716 8 C 1.0908 0.6805 1.2185 C.ar 1 UNL1111 0.1170 9 N 1.9845 -0.2756 1.5455 N.ar 1 UNL1111 -0.2413 10 N 2.8303 -0.4612 0.4876 N.ar 1 UNL1111 -0.1859 11 C 3.9489 -1.4442 0.5472 C.3 1 UNL1111 0.3388 12 C 5.2635 -0.6584 0.4267 C.3 1 UNL1111 -0.4936 13 C 3.9019 -2.2129 1.8735 C.3 1 UNL1111 -0.4699 14 C 3.7819 -2.4104 -0.6353 C.3 1 UNL1111 -0.4929 15 C 0.0474 1.1072 2.1830 C.3 1 UNL1111 -0.2807 16 C -1.3339 0.9817 1.6174 C.ar 1 UNL1111 0.0253 17 C -1.6668 -0.1104 0.8111 C.ar 1 UNL1111 -0.1704 18 C -2.9502 -0.1891 0.2894 C.ar 1 UNL1111 0.0011 19 C -3.9174 0.7733 0.5545 C.ar 1 UNL1111 -0.1713 20 C -3.5793 1.8481 1.3752 C.ar 1 UNL1111 -0.1228 21 C -2.2942 1.9554 1.9033 C.ar 1 UNL1111 -0.1983 22 BR -3.3924 -1.6575 -0.8268 Br 1 UNL1111 -0.0471 23 H 2.9531 1.5905 -3.5652 H 1 UNL1111 0.1967 24 H -0.5752 3.4928 -1.5319 H 1 UNL1111 0.3236 25 H -0.7933 2.7696 0.0121 H 1 UNL1111 0.3170 26 H 5.3796 0.0638 1.2426 H 1 UNL1111 0.1591 27 H 6.1252 -1.3327 0.4472 H 1 UNL1111 0.1578 28 H 5.3087 -0.0959 -0.5187 H 1 UNL1111 0.1799 29 H 2.9531 -2.7535 1.9923 H 1 UNL1111 0.1683 30 H 4.7181 -2.9386 1.9327 H 1 UNL1111 0.1505 31 H 3.9826 -1.5369 2.7354 H 1 UNL1111 0.1679 32 H 3.8337 -1.8796 -1.5993 H 1 UNL1111 0.1838 33 H 4.5727 -3.1665 -0.6361 H 1 UNL1111 0.1566 34 H 2.8174 -2.9295 -0.6020 H 1 UNL1111 0.1610 35 H 0.1141 0.4915 3.1184 H 1 UNL1111 0.1950 36 H 0.2626 2.1487 2.5184 H 1 UNL1111 0.1748 37 H -0.9164 -0.8765 0.6008 H 1 UNL1111 0.1854 38 H -4.9217 0.7005 0.1396 H 1 UNL1111 0.1678 39 H -4.3259 2.6076 1.6043 H 1 UNL1111 0.1536 40 H -2.0458 2.7951 2.5500 H 1 UNL1111 0.1594 @BOND 1 1 6 ar 2 2 1 ar 3 2 23 1 4 3 2 ar 5 3 4 ar 6 4 5 ar 7 5 6 ar 8 5 8 ar 9 6 10 ar 10 7 4 1 11 7 24 1 12 7 25 1 13 8 9 ar 14 10 9 ar 15 10 11 1 16 11 12 1 17 11 14 1 18 12 26 1 19 12 27 1 20 12 28 1 21 13 11 1 22 13 29 1 23 13 30 1 24 13 31 1 25 14 32 1 26 14 33 1 27 14 34 1 28 15 8 1 29 15 35 1 30 15 36 1 31 16 15 1 32 16 17 ar 33 17 37 1 34 18 17 ar 35 18 22 1 36 19 18 ar 37 19 38 1 38 20 19 ar 39 20 21 ar 40 20 39 1 41 21 16 ar 42 21 40 1