@MOLECULE 3-(3-methylbenzyl)-1-(2-methyl-2-propanyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.7518 2.6003 -0.1859 C.3 1 UNL1111 -0.4695 2 C -3.6971 1.0973 0.1159 C.3 1 UNL1111 0.3396 3 C -4.0154 0.8373 1.5967 C.3 1 UNL1111 -0.4925 4 C -4.6720 0.3327 -0.7929 C.3 1 UNL1111 -0.4935 5 N -2.3281 0.5730 -0.1485 N.ar 1 UNL1111 -0.1881 6 N -1.3246 1.3852 -0.6018 N.ar 1 UNL1111 -0.2488 7 C -1.8655 -0.7182 -0.0019 C.ar 1 UNL1111 0.3055 8 N -2.5421 -1.8242 0.4229 N.ar 1 UNL1111 -0.5322 9 C -1.8045 -2.9465 0.4618 C.ar 1 UNL1111 0.3094 10 N -0.4921 -3.0671 0.1352 N.ar 1 UNL1111 -0.5896 11 C 0.1889 -1.9636 -0.2950 C.ar 1 UNL1111 0.4959 12 N 1.4912 -2.1583 -0.6480 N.pl3 1 UNL1111 -0.5705 13 C -0.4739 -0.7150 -0.3873 C.ar 1 UNL1111 -0.3927 14 C -0.2080 0.6435 -0.7547 C.ar 1 UNL1111 0.1287 15 C 1.0463 1.2560 -1.2578 C.3 1 UNL1111 -0.2830 16 C 2.2052 1.0119 -0.3384 C.ar 1 UNL1111 0.0299 17 C 3.4476 0.6643 -0.8694 C.ar 1 UNL1111 -0.2444 18 C 2.0460 1.1357 1.0438 C.ar 1 UNL1111 -0.1847 19 C 3.1233 0.8891 1.8896 C.ar 1 UNL1111 -0.1064 20 C 4.3617 0.5259 1.3634 C.ar 1 UNL1111 -0.2031 21 C 4.5286 0.4195 -0.0183 C.ar 1 UNL1111 0.0633 22 C 5.8508 0.0472 -0.5978 C.3 1 UNL1111 -0.4620 23 H -3.0347 3.1610 0.4290 H 1 UNL1111 0.1683 24 H -3.4925 2.8107 -1.2324 H 1 UNL1111 0.1676 25 H -4.7516 3.0007 0.0047 H 1 UNL1111 0.1496 26 H -5.0098 1.2137 1.8546 H 1 UNL1111 0.1560 27 H -4.0008 -0.2398 1.8264 H 1 UNL1111 0.1818 28 H -3.2880 1.3217 2.2576 H 1 UNL1111 0.1594 29 H -4.4301 0.4712 -1.8525 H 1 UNL1111 0.1592 30 H -4.6451 -0.7497 -0.5899 H 1 UNL1111 0.1819 31 H -5.7006 0.6697 -0.6342 H 1 UNL1111 0.1568 32 H -2.3076 -3.8694 0.7988 H 1 UNL1111 0.1954 33 H 1.9148 -3.0568 -0.4988 H 1 UNL1111 0.3214 34 H 2.0965 -1.3775 -0.8177 H 1 UNL1111 0.3208 35 H 1.2502 0.8789 -2.2869 H 1 UNL1111 0.1730 36 H 0.9110 2.3614 -1.3849 H 1 UNL1111 0.1918 37 H 3.5842 0.5967 -1.9458 H 1 UNL1111 0.1571 38 H 1.0782 1.4195 1.4568 H 1 UNL1111 0.1677 39 H 2.9971 0.9791 2.9680 H 1 UNL1111 0.1521 40 H 5.1971 0.3314 2.0309 H 1 UNL1111 0.1519 41 H 6.2593 0.8657 -1.2100 H 1 UNL1111 0.1620 42 H 6.6029 -0.1824 0.1688 H 1 UNL1111 0.1558 43 H 5.7746 -0.8358 -1.2483 H 1 UNL1111 0.1592 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 4 1 7 2 5 1 8 3 26 1 9 3 27 1 10 3 28 1 11 4 29 1 12 4 30 1 13 4 31 1 14 5 6 ar 15 5 7 ar 16 6 14 ar 17 7 8 ar 18 7 13 ar 19 8 9 ar 20 9 10 ar 21 9 32 1 22 10 11 ar 23 11 12 1 24 11 13 ar 25 12 33 1 26 12 34 1 27 13 14 ar 28 14 15 1 29 15 16 1 30 15 35 1 31 15 36 1 32 16 17 ar 33 16 18 ar 34 17 21 ar 35 17 37 1 36 18 19 ar 37 18 38 1 38 19 20 ar 39 19 39 1 40 20 21 ar 41 20 40 1 42 21 22 1 43 22 41 1 44 22 42 1 45 22 43 1