@MOLECULE n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)vinyl]-9h-purin-6-amine 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 P -8.3942 -0.0096 -0.2324 P.3 1 UNL11 0.0177 2 O -9.1369 -0.5006 0.9625 O.2 1 UNL11 -0.4249 3 N 2.1953 -0.1344 0.5105 N.ar 1 UNL11 -0.2888 4 N -2.4369 -0.6446 0.6612 N.pl3 1 UNL11 -0.4446 5 N 8.7474 -1.3406 -1.2212 N.ar 1 UNL11 -0.2559 6 N 0.4530 -1.2917 1.4210 N.ar 1 UNL11 -0.3354 7 N 7.9024 -2.4049 -1.2827 N.ar 1 UNL11 -0.1898 8 N 0.8791 1.4191 -0.9230 N.ar 1 UNL11 -0.4886 9 N -1.5077 1.0416 -0.7619 N.ar 1 UNL11 -0.5550 10 C -6.5685 -0.1519 -0.0079 C.ar 1 UNL11 -0.0619 11 C 5.9345 0.2036 0.3845 C.ar 1 UNL11 0.0239 12 C 6.8116 -0.6835 -0.2604 C.ar 1 UNL11 -0.1260 13 C -8.7136 1.7602 -0.6101 C.3 1 UNL11 -0.4008 14 C -8.7670 -0.9629 -1.7596 C.3 1 UNL11 -0.4021 15 C -3.8098 -0.4243 0.3977 C.ar 1 UNL11 0.2320 16 C -6.0832 -0.7915 1.1446 C.ar 1 UNL11 -0.0224 17 C -5.6567 0.3523 -0.9478 C.ar 1 UNL11 -0.0684 18 C 6.3900 1.4814 0.6778 C.ar 1 UNL11 -0.0054 19 C 8.1314 -0.2554 -0.6061 C.ar 1 UNL11 0.0789 20 C -0.0515 -0.3317 0.5448 C.ar 1 UNL11 -0.2010 21 C 1.0319 0.4068 -0.0334 C.ar 1 UNL11 0.2779 22 C -4.7137 -0.9309 1.3462 C.ar 1 UNL11 -0.2657 23 C -4.2856 0.2177 -0.7490 C.ar 1 UNL11 -0.2213 24 C -1.3687 0.0291 0.1362 C.ar 1 UNL11 0.4574 25 C 4.5967 -0.2742 0.7260 C.2 1 UNL11 -0.2189 26 C 7.7047 1.8835 0.3204 C.ar 1 UNL11 -0.1228 27 C 8.5871 1.0404 -0.3186 C.ar 1 UNL11 -0.2030 28 C 3.4975 0.3007 0.2122 C.2 1 UNL11 0.0524 29 C 6.7370 -2.0471 -0.7193 C.ar 1 UNL11 -0.0762 30 C 1.7756 -1.1710 1.3932 C.ar 1 UNL11 0.1338 31 C 5.5266 2.4764 1.3769 C.3 1 UNL11 -0.4418 32 C -0.4053 1.6778 -1.2381 C.ar 1 UNL11 0.2955 33 H -8.1766 2.1252 -1.5104 H 1 UNL11 0.1715 34 H -8.4082 2.4004 0.2550 H 1 UNL11 0.1944 35 H -9.8069 1.9327 -0.7617 H 1 UNL11 0.1896 36 H -8.5152 -2.0424 -1.6106 H 1 UNL11 0.1933 37 H -9.8594 -0.9206 -1.9879 H 1 UNL11 0.1890 38 H -8.2104 -0.6038 -2.6506 H 1 UNL11 0.1723 39 H -6.7588 -1.1942 1.9160 H 1 UNL11 0.1799 40 H -5.9760 0.8625 -1.8621 H 1 UNL11 0.1472 41 H -4.3534 -1.4258 2.2460 H 1 UNL11 0.1660 42 H -3.5944 0.6192 -1.4940 H 1 UNL11 0.1989 43 H 4.5725 -1.1307 1.3993 H 1 UNL11 0.1719 44 H -2.2075 -1.3539 1.3677 H 1 UNL11 0.3414 45 H 8.0167 2.8997 0.5670 H 1 UNL11 0.1579 46 H 3.5288 1.1526 -0.4892 H 1 UNL11 0.2020 47 H 9.5896 1.3548 -0.5881 H 1 UNL11 0.1624 48 H 5.8993 -2.7173 -0.6507 H 1 UNL11 0.1900 49 H 2.4797 -1.7649 1.9574 H 1 UNL11 0.2040 50 H 6.1032 3.1230 2.0528 H 1 UNL11 0.1546 51 H 4.7458 2.0014 1.9887 H 1 UNL11 0.1621 52 H 5.0168 3.1341 0.6554 H 1 UNL11 0.1645 53 H 9.6666 -1.4211 -1.5992 H 1 UNL11 0.3354 54 H -0.5924 2.4925 -1.9605 H 1 UNL11 0.2031 @BOND 1 1 2 2 2 1 10 1 3 1 13 1 4 1 14 1 5 3 21 ar 6 3 28 1 7 3 30 ar 8 4 15 1 9 4 24 1 10 4 44 1 11 5 7 ar 12 5 19 ar 13 5 53 1 14 6 20 ar 15 6 30 ar 16 7 29 ar 17 8 21 ar 18 8 32 ar 19 9 24 ar 20 9 32 ar 21 10 16 ar 22 10 17 ar 23 11 12 ar 24 11 18 ar 25 11 25 1 26 12 19 ar 27 12 29 ar 28 13 33 1 29 13 34 1 30 13 35 1 31 14 36 1 32 14 37 1 33 14 38 1 34 15 22 ar 35 15 23 ar 36 16 22 ar 37 16 39 1 38 17 23 ar 39 17 40 1 40 18 26 ar 41 18 31 1 42 19 27 ar 43 20 21 ar 44 20 24 ar 45 22 41 1 46 23 42 1 47 25 28 2 48 25 43 1 49 26 27 ar 50 26 45 1 51 27 47 1 52 28 46 1 53 29 48 1 54 30 49 1 55 31 50 1 56 31 51 1 57 31 52 1 58 32 54 1