@MOLECULE 2-chloro-3-[(2-cyano-2-propanyl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide 64 68 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.7764 3.6185 -1.3635 C.3 1 UNL1111111111 -0.2377 2 N 1.5060 2.7012 -0.4776 N.pl3 1 UNL1111111111 -0.3868 3 C 0.7433 2.0638 0.5441 C.ar 1 UNL1111111111 0.2084 4 C 1.3240 1.8354 1.8011 C.ar 1 UNL1111111111 -0.1501 5 C 0.5645 1.2721 2.8199 C.ar 1 UNL1111111111 -0.1569 6 C -0.7722 0.9711 2.5830 C.ar 1 UNL1111111111 0.0785 7 F -1.4927 0.4554 3.5693 F 1 UNL1111111111 -0.1691 8 C -1.3783 1.1974 1.3335 C.ar 1 UNL1111111111 0.1647 9 N -2.7411 0.8805 1.1319 N.am 1 UNL1111111111 -0.5514 10 C -3.5588 1.6305 0.2933 C.2 1 UNL1111111111 0.5909 11 O -3.1609 2.5903 -0.3231 O.2 1 UNL1111111111 -0.4740 12 C -4.9674 1.1419 0.2342 C.ar 1 UNL1111111111 -0.1321 13 C -5.9762 1.8774 0.8529 C.ar 1 UNL1111111111 -0.1094 14 C -7.3009 1.4461 0.7704 C.ar 1 UNL1111111111 -0.1236 15 C -7.6258 0.2864 0.0715 C.ar 1 UNL1111111111 -0.1752 16 C -6.6095 -0.4436 -0.5472 C.ar 1 UNL1111111111 0.1682 17 O -6.9002 -1.5032 -1.3635 O.3 1 UNL1111111111 -0.3477 18 C -7.1709 -2.7587 -0.7295 C.3 1 UNL1111111111 0.3265 19 C -7.1864 -3.7129 -1.9255 C.3 1 UNL1111111111 -0.4645 20 C -6.1230 -3.1295 0.3131 C.3 1 UNL1111111111 -0.4977 21 C -8.5002 -2.7054 -0.1053 C.1 1 UNL1111111111 0.0446 22 N -9.5454 -2.6732 0.3854 N.1 1 UNL1111111111 -0.2284 23 C -5.2840 -0.0162 -0.4649 C.ar 1 UNL1111111111 -0.0391 24 CL -4.0541 -0.8969 -1.2304 Cl 1 UNL1111111111 -0.0216 25 C -0.5951 1.7257 0.3038 C.ar 1 UNL1111111111 -0.2379 26 C 2.7019 2.1548 -0.9280 C.ar 1 UNL1111111111 0.3923 27 C 3.3620 2.6444 -2.0941 C.ar 1 UNL1111111111 -0.3355 28 C 4.5992 2.1375 -2.4524 C.ar 1 UNL1111111111 -0.0174 29 C 5.1673 1.1439 -1.6491 C.ar 1 UNL1111111111 -0.0285 30 N 6.4078 0.5274 -1.8372 N.ar 1 UNL1111111111 -0.4170 31 C 6.6399 -0.3604 -0.8921 C.ar 1 UNL1111111111 0.2344 32 N 7.8232 -1.0862 -0.8885 N.am 1 UNL1111111111 -0.5475 33 C 8.1544 -1.9952 0.1274 C.2 1 UNL1111111111 0.5985 34 O 7.3888 -2.1941 1.0417 O.2 1 UNL1111111111 -0.4734 35 C 9.4838 -2.6471 -0.0298 C.3 1 UNL1111111111 -0.2800 36 C 10.5141 -2.3836 1.0559 C.3 1 UNL1111111111 -0.2755 37 C 9.8460 -3.7258 0.9761 C.3 1 UNL1111111111 -0.2650 38 S 5.3321 -0.5490 0.3547 S.2 1 UNL1111111111 0.2630 39 C 4.4317 0.6991 -0.5143 C.ar 1 UNL1111111111 0.0431 40 N 3.2399 1.1660 -0.1533 N.ar 1 UNL1111111111 -0.4395 41 H 0.4424 3.1305 -2.2956 H 1 UNL1111111111 0.1475 42 H -0.1158 4.0233 -0.8467 H 1 UNL1111111111 0.1719 43 H 1.4167 4.4847 -1.6124 H 1 UNL1111111111 0.1548 44 H 2.3737 2.0847 1.9719 H 1 UNL1111111111 0.1908 45 H 1.0146 1.0771 3.7943 H 1 UNL1111111111 0.1767 46 H -3.1300 0.1112 1.6654 H 1 UNL1111111111 0.3273 47 H -5.7296 2.7946 1.3916 H 1 UNL1111111111 0.1742 48 H -8.0905 2.0254 1.2524 H 1 UNL1111111111 0.1684 49 H -8.6622 -0.0449 -0.0088 H 1 UNL1111111111 0.1818 50 H -7.9071 -3.3849 -2.6893 H 1 UNL1111111111 0.1747 51 H -6.2014 -3.7407 -2.4144 H 1 UNL1111111111 0.1788 52 H -7.4490 -4.7332 -1.6250 H 1 UNL1111111111 0.1664 53 H -6.3537 -4.0916 0.7903 H 1 UNL1111111111 0.1702 54 H -5.1263 -3.2287 -0.1407 H 1 UNL1111111111 0.1831 55 H -6.0479 -2.3808 1.1125 H 1 UNL1111111111 0.1674 56 H -1.0328 1.8656 -0.6875 H 1 UNL1111111111 0.1984 57 H 2.9020 3.4135 -2.7050 H 1 UNL1111111111 0.1764 58 H 5.1304 2.4929 -3.3368 H 1 UNL1111111111 0.1748 59 H 8.4744 -0.8928 -1.6509 H 1 UNL1111111111 0.3354 60 H 9.8235 -2.7636 -1.0646 H 1 UNL1111111111 0.1778 61 H 11.5595 -2.2714 0.7790 H 1 UNL1111111111 0.1612 62 H 10.2678 -1.7072 1.8746 H 1 UNL1111111111 0.1712 63 H 9.1095 -4.0080 1.7326 H 1 UNL1111111111 0.1808 64 H 10.3994 -4.6002 0.6445 H 1 UNL1111111111 0.1592 @BOND 1 1 2 1 2 1 41 1 3 1 42 1 4 1 43 1 5 2 26 1 6 3 2 1 7 3 4 ar 8 4 44 1 9 5 4 ar 10 5 45 1 11 6 5 ar 12 7 6 1 13 8 25 ar 14 8 6 ar 15 9 8 1 16 9 46 1 17 10 9 am 18 11 10 2 19 12 13 ar 20 12 10 1 21 13 47 1 22 14 13 ar 23 14 48 1 24 15 14 ar 25 15 49 1 26 16 15 ar 27 16 23 ar 28 17 16 1 29 18 21 1 30 18 17 1 31 19 18 1 32 19 50 1 33 19 51 1 34 19 52 1 35 20 18 1 36 20 53 1 37 20 54 1 38 20 55 1 39 22 21 3 40 23 12 ar 41 24 23 1 42 25 3 ar 43 25 56 1 44 26 40 ar 45 27 28 ar 46 27 26 ar 47 27 57 1 48 28 29 ar 49 28 58 1 50 29 39 ar 51 29 30 ar 52 30 31 ar 53 31 38 ar 54 31 32 1 55 32 33 am 56 32 59 1 57 33 35 1 58 34 33 2 59 35 60 1 60 36 35 1 61 36 61 1 62 36 62 1 63 37 36 1 64 37 35 1 65 37 63 1 66 37 64 1 67 39 38 ar 68 40 39 ar