@MOLECULE n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.9220 0.1473 0.0801 N.pl3 1 UNL1111111111 -0.4608 2 N 3.1064 2.4596 -0.2956 N.pl3 1 UNL1111111111 -0.4837 3 C -2.3039 -0.1447 0.0849 C.ar 1 UNL1111111111 0.3259 4 C -0.3269 1.3848 -0.0452 C.ar 1 UNL1111111111 0.5650 5 C -0.3439 3.6874 -0.2583 C.ar 1 UNL1111111111 0.1977 6 C 1.0445 3.7228 -0.3300 C.ar 1 UNL1111111111 -0.4980 7 C 1.7258 2.4762 -0.2335 C.ar 1 UNL1111111111 0.4873 8 C 5.2312 1.4631 -0.8142 C.ar 1 UNL1111111111 -0.2926 9 C 6.4743 -1.9978 0.1746 C.ar 1 UNL1111111111 0.1128 10 C 4.5315 -0.8568 0.5150 C.ar 1 UNL1111111111 0.1524 11 C -2.6398 -1.4810 -0.2103 C.ar 1 UNL1111111111 -0.4446 12 C -4.9906 -0.9283 0.1259 C.ar 1 UNL1111111111 -0.0678 13 C -7.0417 -1.1846 -0.9278 C.3 1 UNL1111111111 -0.2177 14 C -5.3785 2.5770 0.9372 C.3 1 UNL1111111111 -0.2113 15 O -5.6764 1.2116 0.6612 O.3 1 UNL1111111111 -0.2714 16 C -4.6255 0.3989 0.4034 C.ar 1 UNL1111111111 0.2777 17 C -3.2849 0.7947 0.3963 C.ar 1 UNL1111111111 -0.3972 18 N -1.0450 2.5456 -0.1157 N.ar 1 UNL1111111111 -0.5402 19 C 3.9446 1.3236 -0.2029 C.ar 1 UNL1111111111 0.2708 20 C 6.1568 0.4443 -0.7626 C.ar 1 UNL1111111111 -0.0233 21 C 5.8211 -0.7384 -0.0974 C.ar 1 UNL1111111111 -0.2062 22 C 7.8334 -2.4084 -0.2219 C.3 1 UNL1111111111 -0.4279 23 N 5.6505 -2.7944 0.8818 N.ar 1 UNL1111111111 -0.2431 24 N 4.4853 -2.1121 1.0982 N.ar 1 UNL1111111111 -0.2602 25 C 3.5815 0.1733 0.4777 C.ar 1 UNL1111111111 -0.2795 26 N 1.0468 1.3133 -0.0933 N.ar 1 UNL1111111111 -0.6122 27 C -3.9823 -1.8558 -0.1924 C.ar 1 UNL1111111111 0.2797 28 O -4.4575 -3.0911 -0.4795 O.3 1 UNL1111111111 -0.2673 29 C -3.4976 -4.0922 -0.7979 C.3 1 UNL1111111111 -0.2157 30 O -6.2866 -1.3421 0.2742 O.3 1 UNL1111111111 -0.2699 31 H -0.2795 -0.6516 0.0492 H 1 UNL1111111111 0.3362 32 H 3.5621 3.3388 -0.5306 H 1 UNL1111111111 0.3213 33 H -0.9519 4.6013 -0.3165 H 1 UNL1111111111 0.1729 34 H 1.5782 4.6526 -0.4467 H 1 UNL1111111111 0.1818 35 H 5.4719 2.3858 -1.3352 H 1 UNL1111111111 0.1612 36 H -1.8676 -2.1972 -0.4586 H 1 UNL1111111111 0.1745 37 H -7.0861 -0.1315 -1.2194 H 1 UNL1111111111 0.1308 38 H -6.6222 -1.7995 -1.7284 H 1 UNL1111111111 0.1291 39 H -8.0325 -1.5493 -0.6347 H 1 UNL1111111111 0.1440 40 H -4.7837 2.6691 1.8517 H 1 UNL1111111111 0.1407 41 H -4.8763 3.0497 0.0866 H 1 UNL1111111111 0.1424 42 H -6.3793 3.0025 1.0837 H 1 UNL1111111111 0.1467 43 H -3.0123 1.8244 0.6260 H 1 UNL1111111111 0.2154 44 H 7.1356 0.5456 -1.2298 H 1 UNL1111111111 0.1546 45 H 8.5975 -1.8285 0.3206 H 1 UNL1111111111 0.1662 46 H 8.0230 -3.4736 -0.0059 H 1 UNL1111111111 0.1735 47 H 8.0021 -2.2574 -1.2989 H 1 UNL1111111111 0.1640 48 H 3.7451 -2.5612 1.5920 H 1 UNL1111111111 0.3372 49 H 2.6143 0.0575 0.9613 H 1 UNL1111111111 0.2039 50 H -2.9454 -3.8328 -1.7060 H 1 UNL1111111111 0.1359 51 H -2.8252 -4.2731 0.0461 H 1 UNL1111111111 0.1366 52 H -4.1346 -4.9699 -0.9734 H 1 UNL1111111111 0.1526 @BOND 1 1 3 1 2 1 4 1 3 1 31 1 4 2 7 1 5 2 19 1 6 2 32 1 7 3 11 ar 8 3 17 ar 9 4 18 ar 10 4 26 ar 11 5 6 ar 12 5 18 ar 13 5 33 1 14 6 7 ar 15 6 34 1 16 7 26 ar 17 8 19 ar 18 8 20 ar 19 8 35 1 20 9 21 ar 21 9 22 1 22 9 23 ar 23 10 21 ar 24 10 24 ar 25 10 25 ar 26 11 27 ar 27 11 36 1 28 12 16 ar 29 12 27 ar 30 12 30 1 31 13 30 1 32 13 37 1 33 13 38 1 34 13 39 1 35 14 15 1 36 14 40 1 37 14 41 1 38 14 42 1 39 15 16 1 40 16 17 ar 41 17 43 1 42 19 25 ar 43 20 21 ar 44 20 44 1 45 22 45 1 46 22 46 1 47 22 47 1 48 23 24 ar 49 24 48 1 50 25 49 1 51 27 28 1 52 28 29 1 53 29 50 1 54 29 51 1 55 29 52 1