@MOLECULE n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl}methanesulfonamide 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.8884 -0.5285 -0.2232 N.pl3 1 UNL1111 -0.8297 2 N -1.8043 -0.0558 -0.2163 N.ar 1 UNL1111 -0.5594 3 C 2.3685 -1.1598 -1.1277 C.ar 1 UNL1111 -0.0130 4 C 1.8094 0.0148 -0.5955 C.ar 1 UNL1111 0.0086 5 C -0.5445 -0.5800 -0.2827 C.ar 1 UNL1111 0.5347 6 C -2.7469 -0.9587 0.1470 C.ar 1 UNL1111 0.3146 7 C -4.8848 0.4545 0.0437 C.3 1 UNL1111 0.1200 8 C -6.2238 2.2331 1.2428 C.3 1 UNL1111 -0.2559 9 C -6.5167 1.4835 -1.6150 C.3 1 UNL1111 -0.2518 10 C -3.7590 -2.8880 0.8010 C.ar 1 UNL1111 -0.0110 11 C -1.1384 -2.7514 0.3683 C.ar 1 UNL1111 0.2170 12 O 8.2242 0.0393 0.3764 O.2 1 UNL1111 -0.9123 13 S 6.9916 0.7781 0.2288 S.O2 1 UNL1111 2.3976 14 O 6.8876 1.8198 -0.7525 O.2 1 UNL1111 -0.8712 15 C 6.4511 1.3431 1.8034 C.3 1 UNL1111 -0.7395 16 C 4.5218 -0.3740 -0.3910 C.ar 1 UNL1111 0.4109 17 N 3.9809 0.7605 0.1352 N.ar 1 UNL1111 -0.4756 18 C 2.6572 0.9463 0.0321 C.ar 1 UNL1111 0.0615 19 C 3.7339 -1.3625 -1.0311 C.ar 1 UNL1111 -0.3287 20 N 0.4264 0.2999 -0.7091 N.pl3 1 UNL1111 -0.4474 21 N -0.1891 -1.8935 -0.0011 N.ar 1 UNL1111 -0.5217 22 C -2.4749 -2.3436 0.4646 C.ar 1 UNL1111 -0.3564 23 N -4.7027 -1.9413 0.6964 N.ar 1 UNL1111 -0.2038 24 N -4.1027 -0.7677 0.3150 N.ar 1 UNL1111 -0.2009 25 C -5.6825 0.2491 -1.2584 C.3 1 UNL1111 -0.3029 26 C -7.7683 1.5998 -0.7345 C.3 1 UNL1111 -0.2619 27 C -7.5603 2.4593 0.5202 C.3 1 UNL1111 -0.2679 28 C -5.7718 0.7702 1.2638 C.3 1 UNL1111 -0.2880 29 H 6.3077 -1.3737 -0.6072 H 1 UNL1111 0.3307 30 H 1.7219 -1.9038 -1.6040 H 1 UNL1111 0.1881 31 H -4.1293 1.2794 -0.1032 H 1 UNL1111 0.1635 32 H -5.4396 2.8656 0.7823 H 1 UNL1111 0.1376 33 H -6.3156 2.6013 2.2843 H 1 UNL1111 0.1334 34 H -5.9047 2.4014 -1.5410 H 1 UNL1111 0.1425 35 H -6.8193 1.4159 -2.6786 H 1 UNL1111 0.1333 36 H -3.9891 -3.8964 1.0999 H 1 UNL1111 0.1892 37 H -0.8148 -3.7782 0.5872 H 1 UNL1111 0.1823 38 H 6.3596 0.5305 2.5372 H 1 UNL1111 0.1920 39 H 7.1422 2.0843 2.2276 H 1 UNL1111 0.1892 40 H 5.4593 1.8304 1.7466 H 1 UNL1111 0.2178 41 H 2.2740 1.8758 0.4702 H 1 UNL1111 0.1738 42 H 4.1918 -2.2590 -1.4340 H 1 UNL1111 0.1739 43 H 0.1504 1.2745 -0.8246 H 1 UNL1111 0.3348 44 H -4.9811 0.0178 -2.0847 H 1 UNL1111 0.1472 45 H -6.3337 -0.6433 -1.1646 H 1 UNL1111 0.1624 46 H -8.6003 2.0275 -1.3264 H 1 UNL1111 0.1254 47 H -8.1120 0.5888 -0.4393 H 1 UNL1111 0.1426 48 H -8.3942 2.2663 1.2233 H 1 UNL1111 0.1304 49 H -7.6423 3.5301 0.2504 H 1 UNL1111 0.1285 50 H -6.6388 0.0830 1.2957 H 1 UNL1111 0.1656 51 H -5.2064 0.5639 2.1948 H 1 UNL1111 0.1501 @BOND 1 1 16 1 2 1 29 1 3 2 6 ar 4 2 5 ar 5 3 4 ar 6 3 30 1 7 4 20 1 8 5 21 ar 9 6 22 ar 10 7 24 1 11 7 31 1 12 8 28 1 13 8 32 1 14 8 33 1 15 9 25 1 16 9 34 1 17 9 35 1 18 10 36 1 19 11 37 1 20 13 1 1 21 13 12 2 22 14 13 2 23 15 13 1 24 15 38 1 25 15 39 1 26 15 40 1 27 16 19 ar 28 16 17 ar 29 17 18 ar 30 18 4 ar 31 18 41 1 32 19 3 ar 33 19 42 1 34 20 5 1 35 20 43 1 36 21 11 ar 37 22 10 ar 38 22 11 ar 39 23 10 ar 40 24 6 ar 41 24 23 ar 42 25 7 1 43 25 44 1 44 25 45 1 45 26 9 1 46 26 27 1 47 26 46 1 48 26 47 1 49 27 8 1 50 27 48 1 51 27 49 1 52 28 7 1 53 28 50 1 54 28 51 1