@MOLECULE 5-methyl-4-[(2-methyl-5-{[3-(4-morpholinyl)benzoyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide 79 84 0 0 0 SMALL GASTEIGER @ATOM 1 C -10.6556 2.6570 -1.6913 C.ar 1 UNL1111111111 -0.1401 2 C -10.0713 1.3996 -1.5533 C.ar 1 UNL1111111111 -0.1553 3 C -9.5772 0.9902 -0.3145 C.ar 1 UNL1111111111 -0.0377 4 C -9.6737 -1.2269 0.8588 C.3 1 UNL1111111111 -0.4716 5 C -10.7430 3.5111 -0.5938 C.ar 1 UNL1111111111 -0.1537 6 C -10.2450 3.1050 0.6431 C.ar 1 UNL1111111111 -0.1456 7 C -9.6650 1.8465 0.7843 C.ar 1 UNL1111111111 -0.1623 8 C 0.3957 -2.1756 -0.0157 C.ar 1 UNL1111111111 0.1984 9 C 0.6417 -3.5629 0.0716 C.ar 1 UNL1111111111 -0.0761 10 C -6.5100 -0.5600 -0.6758 C.2 1 UNL1111111111 0.6325 11 C 7.1838 0.2428 0.0613 C.ar 1 UNL1111111111 -0.1812 12 C 2.7632 -1.7227 0.1919 C.ar 1 UNL1111111111 0.2380 13 C 5.9345 0.2830 0.6624 C.ar 1 UNL1111111111 -0.0843 14 N -3.4381 0.7770 0.7834 N.ar 1 UNL1111111111 0.0551 15 N -2.6809 1.6542 1.4871 N.ar 1 UNL1111111111 -0.3363 16 C -1.3868 1.3569 1.5717 C.ar 1 UNL1111111111 0.2382 17 N -0.7568 0.2633 1.0339 N.ar 1 UNL1111111111 -0.5707 18 C -1.5069 -0.6225 0.3451 C.ar 1 UNL1111111111 0.4637 19 C -2.9206 -0.3946 0.1709 C.ar 1 UNL1111111111 -0.2379 20 C -4.0059 -1.0365 -0.4649 C.ar 1 UNL1111111111 0.0994 21 C -5.1543 -0.2585 -0.2036 C.ar 1 UNL1111111111 -0.2527 22 C -4.7778 0.8703 0.5678 C.ar 1 UNL1111111111 -0.0348 23 C -3.9564 -2.2751 -1.2574 C.3 1 UNL1111111111 -0.4622 24 O -6.7603 -1.0930 -1.7409 O.2 1 UNL1111111111 -0.5426 25 N -7.5278 -0.2180 0.1977 N.am 1 UNL1111111111 -0.6107 26 C -8.9355 -0.3777 -0.1878 C.3 1 UNL1111111111 0.1079 27 N -0.9494 -1.7464 -0.1962 N.pl3 1 UNL1111111111 -0.4526 28 C 1.9594 -3.9925 0.2098 C.ar 1 UNL1111111111 -0.1084 29 C 3.0207 -3.0943 0.2743 C.ar 1 UNL1111111111 -0.2288 30 C 1.4441 -1.2620 0.0274 C.ar 1 UNL1111111111 -0.2636 31 C -0.4654 -4.5604 0.0307 C.3 1 UNL1111111111 -0.4379 32 N 3.7658 -0.7317 0.2567 N.am 1 UNL1111111111 -0.5570 33 C 5.0991 -0.9526 0.5963 C.2 1 UNL1111111111 0.5861 34 O 5.5485 -2.0563 0.8041 O.2 1 UNL1111111111 -0.4916 35 C 8.0257 1.3724 0.1186 C.ar 1 UNL1111111111 0.1946 36 C 7.5736 2.5256 0.7786 C.ar 1 UNL1111111111 -0.2446 37 C 6.3165 2.5426 1.3783 C.ar 1 UNL1111111111 -0.0937 38 C 5.4914 1.4236 1.3340 C.ar 1 UNL1111111111 -0.1940 39 N 9.2530 1.3063 -0.5855 N.pl3 1 UNL1111111111 -0.4162 40 C 10.1491 0.2079 -0.1473 C.3 1 UNL1111111111 -0.1368 41 C 11.2658 0.0597 -1.1970 C.3 1 UNL1111111111 -0.0462 42 O 11.9709 1.2796 -1.3306 O.3 1 UNL1111111111 -0.3818 43 C 11.1303 2.3352 -1.7551 C.3 1 UNL1111111111 -0.0432 44 C 10.0048 2.5717 -0.7268 C.3 1 UNL1111111111 -0.1480 45 H -11.0402 2.9732 -2.6592 H 1 UNL1111111111 0.1506 46 H -9.9934 0.7417 -2.4185 H 1 UNL1111111111 0.1585 47 H -10.7325 -1.3309 0.5954 H 1 UNL1111111111 0.1550 48 H -9.2420 -2.2340 0.9180 H 1 UNL1111111111 0.1604 49 H -9.6253 -0.7880 1.8603 H 1 UNL1111111111 0.1489 50 H -11.1974 4.4934 -0.7022 H 1 UNL1111111111 0.1487 51 H -10.3099 3.7720 1.5001 H 1 UNL1111111111 0.1472 52 H -9.2845 1.5355 1.7545 H 1 UNL1111111111 0.1468 53 H 7.5087 -0.6584 -0.4625 H 1 UNL1111111111 0.1804 54 H -0.7442 2.0550 2.1369 H 1 UNL1111111111 0.2069 55 H -5.3772 1.6917 0.9223 H 1 UNL1111111111 0.1930 56 H -3.7638 -3.1621 -0.6370 H 1 UNL1111111111 0.1587 57 H -4.9248 -2.4610 -1.7721 H 1 UNL1111111111 0.2092 58 H -3.2082 -2.2254 -2.0632 H 1 UNL1111111111 0.1628 59 H -7.3382 0.2256 1.0785 H 1 UNL1111111111 0.3102 60 H -8.9704 -0.9158 -1.1812 H 1 UNL1111111111 0.1775 61 H -1.5770 -2.4097 -0.6529 H 1 UNL1111111111 0.3303 62 H 2.1711 -5.0607 0.2773 H 1 UNL1111111111 0.1548 63 H 4.0388 -3.4708 0.3933 H 1 UNL1111111111 0.1995 64 H 1.2409 -0.1914 -0.0453 H 1 UNL1111111111 0.1968 65 H -0.9478 -4.5959 -0.9566 H 1 UNL1111111111 0.1512 66 H -0.1106 -5.5813 0.2372 H 1 UNL1111111111 0.1598 67 H -1.2354 -4.3476 0.7881 H 1 UNL1111111111 0.1589 68 H 3.4518 0.2258 0.1058 H 1 UNL1111111111 0.3214 69 H 8.2008 3.4102 0.8455 H 1 UNL1111111111 0.1580 70 H 5.9827 3.4419 1.8966 H 1 UNL1111111111 0.1524 71 H 4.5255 1.4374 1.8346 H 1 UNL1111111111 0.1632 72 H 10.5898 0.4146 0.8528 H 1 UNL1111111111 0.1374 73 H 9.5753 -0.7398 -0.0648 H 1 UNL1111111111 0.1555 74 H 12.0492 -0.6462 -0.8690 H 1 UNL1111111111 0.1421 75 H 10.8646 -0.2506 -2.1781 H 1 UNL1111111111 0.1336 76 H 11.8200 3.1952 -1.8130 H 1 UNL1111111111 0.1401 77 H 10.7223 2.1084 -2.7561 H 1 UNL1111111111 0.1333 78 H 9.3208 3.3637 -1.1022 H 1 UNL1111111111 0.1487 79 H 10.4380 2.9190 0.2362 H 1 UNL1111111111 0.1347 @BOND 1 1 2 ar 2 1 45 1 3 2 3 ar 4 2 46 1 5 3 26 1 6 4 26 1 7 4 47 1 8 4 48 1 9 4 49 1 10 5 1 ar 11 5 6 ar 12 5 50 1 13 6 7 ar 14 6 51 1 15 7 3 ar 16 7 52 1 17 8 9 ar 18 8 30 ar 19 9 28 ar 20 10 24 2 21 10 21 1 22 11 35 ar 23 11 53 1 24 12 29 ar 25 12 32 1 26 13 11 ar 27 13 38 ar 28 14 15 ar 29 14 19 ar 30 15 16 ar 31 16 17 ar 32 16 54 1 33 18 17 ar 34 18 27 1 35 19 18 ar 36 20 19 ar 37 20 23 1 38 21 20 ar 39 22 14 ar 40 22 21 ar 41 22 55 1 42 23 56 1 43 23 57 1 44 23 58 1 45 25 10 am 46 25 59 1 47 26 25 1 48 26 60 1 49 27 8 1 50 27 61 1 51 28 29 ar 52 28 62 1 53 29 63 1 54 30 12 ar 55 30 64 1 56 31 9 1 57 31 65 1 58 31 66 1 59 31 67 1 60 32 33 am 61 32 68 1 62 33 13 1 63 34 33 2 64 35 36 ar 65 35 39 1 66 36 69 1 67 37 36 ar 68 37 70 1 69 38 37 ar 70 38 71 1 71 39 44 1 72 40 39 1 73 40 41 1 74 40 72 1 75 40 73 1 76 41 42 1 77 41 74 1 78 41 75 1 79 42 43 1 80 43 76 1 81 43 77 1 82 44 43 1 83 44 78 1 84 44 79 1