@MOLECULE (3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)-4-pyrimidinyl]-6-methyl-n-phenyl-3-piperidinecarboxamide 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.4192 3.7626 0.2425 C.ar 1 UNL1111111111 -0.2007 2 C 6.4013 3.4871 1.1530 C.ar 1 UNL1111111111 -0.0993 3 C 7.5223 3.0089 -0.9257 C.ar 1 UNL1111111111 -0.0945 4 C -3.8928 2.2575 -1.1525 C.ar 1 UNL1111111111 -0.1190 5 C -3.1539 1.1082 -1.0846 C.ar 1 UNL1111111111 -0.1487 6 C 5.4852 2.4675 0.9113 C.ar 1 UNL1111111111 -0.2194 7 C 6.6186 1.9856 -1.1858 C.ar 1 UNL1111111111 -0.2647 8 C -4.6345 0.0982 0.5900 C.ar 1 UNL1111111111 -0.0914 9 C -1.2844 -1.0705 -0.0791 C.ar 1 UNL1111111111 -0.5131 10 C -5.0380 2.3728 -0.3360 C.ar 1 UNL1111111111 -0.1617 11 C -3.5257 0.0338 -0.2133 C.ar 1 UNL1111111111 -0.0278 12 C -5.4085 1.2849 0.5440 C.ar 1 UNL1111111111 0.0734 13 C 5.5930 1.7102 -0.2615 C.ar 1 UNL1111111111 0.2249 14 C -2.6722 -1.1719 -0.2028 C.ar 1 UNL1111111111 0.3332 15 C -0.5291 -2.2724 -0.0800 C.ar 1 UNL1111111111 0.4822 16 C -6.0271 3.3579 -0.1222 C.ar 1 UNL1111111111 0.1228 17 C -2.5118 -3.4759 -0.3029 C.ar 1 UNL1111111111 0.5741 18 C 3.6950 0.1665 0.2344 C.2 1 UNL1111111111 0.5721 19 C 3.7458 -2.2927 -0.1738 C.3 1 UNL1111111111 -0.2622 20 C 2.9241 -3.4866 -0.6632 C.3 1 UNL1111111111 -0.2944 21 C 1.5925 -1.1343 0.4395 C.3 1 UNL1111111111 -0.0602 22 C 2.9208 -1.0104 -0.3419 C.3 1 UNL1111111111 -0.2104 23 C 1.5553 -3.5937 0.0473 C.3 1 UNL1111111111 0.1165 24 C 1.7027 -4.0350 1.5101 C.3 1 UNL1111111111 -0.4835 25 N -3.3085 -2.3562 -0.3118 N.ar 1 UNL1111111111 -0.5694 26 N -1.1519 -3.4870 -0.1822 N.ar 1 UNL1111111111 -0.6506 27 N -6.8988 2.8422 0.8231 N.ar 1 UNL1111111111 -0.1156 28 N -6.5455 1.6116 1.2394 N.ar 1 UNL1111111111 -0.2730 29 N 0.8495 -2.2973 -0.0679 N.pl3 1 UNL1111111111 -0.4288 30 N -6.2995 4.6353 -0.6513 N.pl3 1 UNL1111111111 -0.6055 31 N -3.1405 -4.6867 -0.4117 N.pl3 1 UNL1111111111 -0.5905 32 N 4.7066 0.6569 -0.5893 N.am 1 UNL1111111111 -0.5757 33 O 3.4550 0.6329 1.3233 O.2 1 UNL1111111111 -0.5011 34 H 8.1288 4.5612 0.4409 H 1 UNL1111111111 0.1534 35 H 6.3173 4.0750 2.0674 H 1 UNL1111111111 0.1526 36 H 8.3160 3.2222 -1.6406 H 1 UNL1111111111 0.1479 37 H -3.6204 3.0738 -1.8150 H 1 UNL1111111111 0.1485 38 H -2.2667 0.9795 -1.7052 H 1 UNL1111111111 0.1644 39 H 4.6954 2.2715 1.6402 H 1 UNL1111111111 0.1999 40 H 6.7100 1.4060 -2.0995 H 1 UNL1111111111 0.1527 41 H -4.9368 -0.7237 1.2402 H 1 UNL1111111111 0.1870 42 H -0.8157 -0.1020 0.0148 H 1 UNL1111111111 0.1906 43 H 4.0295 -2.4320 0.8893 H 1 UNL1111111111 0.1557 44 H 4.6971 -2.2295 -0.7328 H 1 UNL1111111111 0.1367 45 H 2.7555 -3.4052 -1.7554 H 1 UNL1111111111 0.1488 46 H 3.4839 -4.4275 -0.5096 H 1 UNL1111111111 0.1448 47 H 1.7961 -1.2381 1.5326 H 1 UNL1111111111 0.1607 48 H 1.0022 -0.1974 0.3196 H 1 UNL1111111111 0.1617 49 H 2.6860 -0.8475 -1.4216 H 1 UNL1111111111 0.1710 50 H 0.9422 -4.3682 -0.5002 H 1 UNL1111111111 0.1706 51 H 2.3171 -3.3447 2.0961 H 1 UNL1111111111 0.1527 52 H 0.7175 -4.0979 1.9931 H 1 UNL1111111111 0.1649 53 H 2.1589 -5.0277 1.5753 H 1 UNL1111111111 0.1506 54 H -5.6461 5.3422 -0.3375 H 1 UNL1111111111 0.2777 55 H -6.3569 4.6389 -1.6618 H 1 UNL1111111111 0.2796 56 H -2.6101 -5.5308 -0.4194 H 1 UNL1111111111 0.3191 57 H -4.1348 -4.7233 -0.5073 H 1 UNL1111111111 0.3259 58 H 4.8619 0.2105 -1.4882 H 1 UNL1111111111 0.3117 59 H -7.7154 3.2811 1.2076 H 1 UNL1111111111 0.3325 @BOND 1 1 3 ar 2 1 34 1 3 2 1 ar 4 2 6 ar 5 2 35 1 6 3 7 ar 7 3 36 1 8 4 37 1 9 5 4 ar 10 5 38 1 11 6 13 ar 12 6 39 1 13 7 40 1 14 8 11 ar 15 8 12 ar 16 8 41 1 17 9 42 1 18 10 4 ar 19 10 16 ar 20 11 5 ar 21 12 10 ar 22 13 7 ar 23 13 32 1 24 14 9 ar 25 14 11 1 26 15 9 ar 27 15 29 1 28 16 30 1 29 17 26 ar 30 17 25 ar 31 18 22 1 32 18 33 2 33 19 20 1 34 19 43 1 35 19 44 1 36 20 23 1 37 20 45 1 38 20 46 1 39 21 29 1 40 21 47 1 41 21 48 1 42 22 19 1 43 22 21 1 44 22 49 1 45 23 24 1 46 23 50 1 47 24 51 1 48 24 52 1 49 24 53 1 50 25 14 ar 51 26 15 ar 52 27 16 ar 53 27 59 1 54 28 12 ar 55 28 27 ar 56 29 23 1 57 30 54 1 58 30 55 1 59 31 17 1 60 31 56 1 61 31 57 1 62 32 18 am 63 32 58 1