@MOLECULE 4-(tert-butyl)-n-(2-methyl-3-(4-methyl-6-((4-(morpholine-4-carbonyl)phenyl)amino)-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)benzamide 80 84 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.6932 -4.9555 -2.1317 O.3 1 UNL1 -0.3780 2 O -5.1002 -3.8474 2.2036 O.2 1 UNL1 -0.5125 3 O 3.7351 -0.8173 -2.6023 O.2 1 UNL1 -0.4875 4 O -3.7954 5.1176 1.5976 O.2 1 UNL1 -0.5244 5 N -5.8437 -3.6228 0.0816 N.am 1 UNL1 -0.4752 6 N 3.2477 0.7647 -1.0256 N.am 1 UNL1 -0.5773 7 N -3.9343 2.3944 1.3522 N.pl3 1 UNL1 -0.4655 8 N -1.9046 5.2531 0.3369 N.ar 1 UNL1 -0.3217 9 N -1.9785 2.4642 0.0100 N.ar 1 UNL1 -0.4130 10 C 8.6235 -1.7766 1.6220 C.3 1 UNL1 0.1004 11 C 7.3902 -1.3955 0.8261 C.ar 1 UNL1 0.0313 12 C 9.6181 -0.6016 1.5897 C.3 1 UNL1 -0.4602 13 C 9.2551 -3.0237 0.9774 C.3 1 UNL1 -0.4585 14 C 8.3093 -2.0984 3.0920 C.3 1 UNL1 -0.4639 15 C -5.9616 -5.0820 -0.0621 C.3 1 UNL1 -0.1200 16 C -5.6907 -2.9465 -1.2124 C.3 1 UNL1 -0.1243 17 C 6.1124 -1.3877 1.3895 C.ar 1 UNL1 -0.1877 18 C 7.5360 -1.0469 -0.5234 C.ar 1 UNL1 -0.1884 19 C -4.7823 -5.6292 -0.8881 C.3 1 UNL1 -0.0762 20 C -4.5113 -3.5590 -1.9936 C.3 1 UNL1 -0.0758 21 C 5.1669 -0.6649 -0.7056 C.ar 1 UNL1 -0.1550 22 C 5.0028 -1.0250 0.6291 C.ar 1 UNL1 -0.1135 23 C 6.4330 -0.6881 -1.2896 C.ar 1 UNL1 -0.0848 24 C -5.2380 -3.1272 1.2359 C.2 1 UNL1 0.5695 25 C -4.8828 -1.6839 1.2514 C.ar 1 UNL1 -0.1749 26 C 4.0026 -0.2848 -1.5504 C.2 1 UNL1 0.5884 27 C 1.1384 1.9462 -0.7813 C.ar 1 UNL1 -0.0331 28 C 2.0717 1.2868 -1.6154 C.ar 1 UNL1 0.1814 29 C 0.0065 2.5096 -1.3716 C.ar 1 UNL1 0.0001 30 C -5.8159 -0.7425 1.6833 C.ar 1 UNL1 -0.0622 31 C -3.6016 -1.2885 0.8718 C.ar 1 UNL1 -0.0791 32 C -0.9890 3.2385 -0.5655 C.ar 1 UNL1 0.0895 33 C -4.1944 1.0115 1.2927 C.ar 1 UNL1 0.2444 34 C -5.4800 0.6042 1.7063 C.ar 1 UNL1 -0.2554 35 C -3.2519 0.0564 0.8862 C.ar 1 UNL1 -0.2073 36 C 1.8428 1.1830 -2.9918 C.ar 1 UNL1 -0.1873 37 C -2.9033 3.0669 0.7283 C.ar 1 UNL1 0.2585 38 C -0.2272 2.3975 -2.7446 C.ar 1 UNL1 -0.1664 39 C -0.9353 4.6018 -0.4175 C.ar 1 UNL1 -0.0903 40 C 1.3544 2.0193 0.6928 C.3 1 UNL1 -0.4438 41 C 0.6901 1.7303 -3.5475 C.ar 1 UNL1 -0.1294 42 C -2.9357 4.5562 0.9441 C.ar 1 UNL1 0.4737 43 C -1.8314 6.7092 0.4766 C.3 1 UNL1 -0.2464 44 H 9.1616 0.3128 1.9845 H 1 UNL1 0.1489 45 H 9.9643 -0.3845 0.5742 H 1 UNL1 0.1474 46 H 10.5048 -0.8181 2.1956 H 1 UNL1 0.1505 47 H 9.5871 -2.8311 -0.0478 H 1 UNL1 0.1480 48 H 8.5394 -3.8532 0.9398 H 1 UNL1 0.1527 49 H 10.1279 -3.3634 1.5451 H 1 UNL1 0.1499 50 H 7.6335 -2.9561 3.1827 H 1 UNL1 0.1500 51 H 7.8527 -1.2448 3.6042 H 1 UNL1 0.1472 52 H 9.2239 -2.3520 3.6411 H 1 UNL1 0.1515 53 H -6.9277 -5.3026 -0.5687 H 1 UNL1 0.1515 54 H -5.9996 -5.5654 0.9416 H 1 UNL1 0.1743 55 H -6.6379 -3.0847 -1.7846 H 1 UNL1 0.1563 56 H -5.5574 -1.8517 -1.0799 H 1 UNL1 0.1595 57 H 5.9619 -1.6693 2.4304 H 1 UNL1 0.1607 58 H 8.5230 -1.0603 -0.9842 H 1 UNL1 0.1579 59 H -4.9399 -6.6786 -1.1926 H 1 UNL1 0.1447 60 H -3.8242 -5.5405 -0.3474 H 1 UNL1 0.1320 61 H -3.5413 -3.3541 -1.5088 H 1 UNL1 0.1293 62 H -4.4818 -3.2106 -3.0411 H 1 UNL1 0.1470 63 H 4.0107 -1.0400 1.0801 H 1 UNL1 0.1561 64 H 6.5524 -0.4327 -2.3441 H 1 UNL1 0.1663 65 H 3.5231 1.1628 -0.1330 H 1 UNL1 0.3173 66 H -6.8085 -1.0656 2.0016 H 1 UNL1 0.1610 67 H -2.8656 -2.0332 0.5654 H 1 UNL1 0.1580 68 H -6.2108 1.3371 2.0390 H 1 UNL1 0.1620 69 H -2.2441 0.3496 0.5778 H 1 UNL1 0.2067 70 H 2.5593 0.6688 -3.6366 H 1 UNL1 0.1913 71 H -1.1316 2.8215 -3.1761 H 1 UNL1 0.1600 72 H -4.6200 2.9853 1.8344 H 1 UNL1 0.3407 73 H -0.1543 5.2128 -0.8709 H 1 UNL1 0.1851 74 H 0.4718 2.4005 1.2300 H 1 UNL1 0.1709 75 H 2.1902 2.6825 0.9536 H 1 UNL1 0.1498 76 H 1.5470 1.0234 1.1217 H 1 UNL1 0.1629 77 H 0.5101 1.6338 -4.6173 H 1 UNL1 0.1542 78 H -2.6605 7.0831 1.1145 H 1 UNL1 0.1886 79 H -0.8808 7.0092 0.9513 H 1 UNL1 0.1550 80 H -1.9178 7.2012 -0.5084 H 1 UNL1 0.1561 @BOND 1 77 41 1 2 70 36 1 3 41 36 ar 4 41 38 ar 5 71 38 1 6 62 20 1 7 36 28 ar 8 38 29 ar 9 3 26 2 10 64 23 1 11 1 20 1 12 1 19 1 13 20 61 1 14 20 16 1 15 55 16 1 16 28 6 1 17 28 27 ar 18 26 6 am 19 26 21 1 20 29 27 ar 21 29 32 1 22 23 21 ar 23 23 18 ar 24 16 56 1 25 16 5 1 26 59 19 1 27 6 65 1 28 58 18 1 29 19 60 1 30 19 15 1 31 73 39 1 32 27 40 1 33 21 22 ar 34 53 15 1 35 32 39 ar 36 32 9 ar 37 18 11 ar 38 80 43 1 39 39 8 ar 40 15 5 1 41 15 54 1 42 47 13 1 43 9 37 ar 44 5 24 am 45 8 43 1 46 8 42 ar 47 43 79 1 48 43 78 1 49 67 31 1 50 45 12 1 51 69 35 1 52 22 63 1 53 22 17 ar 54 40 75 1 55 40 76 1 56 40 74 1 57 37 42 ar 58 37 7 1 59 11 17 ar 60 11 10 1 61 31 35 ar 62 31 25 ar 63 35 33 ar 64 48 13 1 65 42 4 2 66 13 49 1 67 13 10 1 68 24 25 1 69 24 2 2 70 25 30 ar 71 33 7 1 72 33 34 ar 73 7 72 1 74 17 57 1 75 12 10 1 76 12 44 1 77 12 46 1 78 10 14 1 79 30 34 ar 80 30 66 1 81 34 68 1 82 14 50 1 83 14 51 1 84 14 52 1