@MOLECULE n-{3-[8-({4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}-4-(2-methyl-2-propanyl)benzamide 81 86 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8957 4.3598 -1.6189 O.2 1 UNL1 -0.5345 2 O -0.1081 -1.1129 -0.9736 O.2 1 UNL1 -0.4864 3 N -4.2367 2.0194 1.3666 N.3 1 UNL1 -0.4086 4 N -2.4617 2.2970 -0.8877 N.am 1 UNL1 -0.4741 5 N 3.9694 2.2719 -0.1645 N.pl3 1 UNL1 -0.4558 6 N 6.4982 -0.2492 0.7593 N.ar 1 UNL1 -0.0619 7 N -0.0217 -3.2686 -0.2316 N.am 1 UNL1 -0.5846 8 N 3.8744 -0.0900 -0.1349 N.ar 1 UNL1 -0.4973 9 N 6.8139 1.9982 0.8008 N.ar 1 UNL1 -0.3658 10 C -2.7872 1.7367 1.5169 C.3 1 UNL1 -0.1557 11 C -4.4514 3.1038 0.3756 C.3 1 UNL1 -0.1565 12 C -2.2289 1.2832 0.1463 C.3 1 UNL1 -0.0950 13 C -3.8861 2.6472 -0.9922 C.3 1 UNL1 -0.0816 14 C -4.8318 2.3803 2.6706 C.3 1 UNL1 -0.2833 15 C -6.3740 -1.5821 0.3830 C.3 1 UNL1 0.1060 16 C -1.5268 3.2998 -1.1490 C.2 1 UNL1 0.5711 17 C -4.8945 -1.8228 0.1531 C.ar 1 UNL1 0.0477 18 C -0.0903 2.9953 -0.9304 C.ar 1 UNL1 -0.1679 19 C -6.7792 -1.7371 1.8579 C.3 1 UNL1 -0.4628 20 C -6.6977 -0.1435 -0.0560 C.3 1 UNL1 -0.4727 21 C -7.1783 -2.5941 -0.4529 C.3 1 UNL1 -0.4618 22 C -4.3773 -1.6660 -1.1406 C.ar 1 UNL1 -0.1904 23 C -4.0249 -2.1667 1.1908 C.ar 1 UNL1 -0.1895 24 C 0.6794 3.9259 -0.2300 C.ar 1 UNL1 -0.0717 25 C 0.4933 1.8369 -1.4421 C.ar 1 UNL1 -0.0590 26 C -3.0157 -1.8015 -1.3838 C.ar 1 UNL1 -0.0876 27 C -2.6604 -2.3102 0.9543 C.ar 1 UNL1 -0.1121 28 C -2.1576 -2.1099 -0.3285 C.ar 1 UNL1 -0.1748 29 C 2.5967 2.4783 -0.4581 C.ar 1 UNL1 0.2249 30 C 2.0223 3.6722 0.0159 C.ar 1 UNL1 -0.2446 31 C 1.8391 1.5732 -1.2102 C.ar 1 UNL1 -0.1771 32 C 4.5475 1.0474 0.0596 C.ar 1 UNL1 0.4167 33 C -0.6918 -2.0890 -0.5610 C.2 1 UNL1 0.5993 34 C 5.9183 1.0143 0.5221 C.ar 1 UNL1 0.0139 35 C 4.4768 -1.3015 0.1116 C.ar 1 UNL1 0.2139 36 C 3.6102 -2.4698 -0.1269 C.ar 1 UNL1 0.0078 37 C 5.7788 -1.4161 0.5649 C.ar 1 UNL1 -0.2153 38 C 1.3866 -3.4007 -0.3001 C.ar 1 UNL1 0.2013 39 C 2.2253 -2.3013 -0.0801 C.ar 1 UNL1 -0.1446 40 C 7.7890 -0.0321 1.1913 C.ar 1 UNL1 -0.1895 41 C 4.1575 -3.7275 -0.3993 C.ar 1 UNL1 -0.1783 42 C 1.9326 -4.6686 -0.5513 C.ar 1 UNL1 -0.2369 43 C 7.9610 1.3711 1.2061 C.ar 1 UNL1 -0.0216 44 C 3.3152 -4.8179 -0.6016 C.ar 1 UNL1 -0.1124 45 H -2.2124 2.6056 1.8981 H 1 UNL1 0.1243 46 H -2.6662 0.9118 2.2507 H 1 UNL1 0.1429 47 H -5.5424 3.2841 0.2826 H 1 UNL1 0.1397 48 H -3.9829 4.0655 0.6739 H 1 UNL1 0.1324 49 H -4.4339 1.7448 -1.3477 H 1 UNL1 0.1484 50 H -4.0277 3.4492 -1.7520 H 1 UNL1 0.1671 51 H -1.1498 1.0280 0.2298 H 1 UNL1 0.1690 52 H -2.7533 0.3497 -0.1724 H 1 UNL1 0.1678 53 H -4.6977 1.5398 3.3711 H 1 UNL1 0.1432 54 H -5.9172 2.5249 2.5419 H 1 UNL1 0.1446 55 H -4.4115 3.2873 3.1301 H 1 UNL1 0.1237 56 H -6.9264 -3.6239 -0.1778 H 1 UNL1 0.1450 57 H -6.2441 -1.0212 2.4936 H 1 UNL1 0.1534 58 H -6.9866 -2.4829 -1.5248 H 1 UNL1 0.1463 59 H -8.2549 -2.4636 -0.2995 H 1 UNL1 0.1491 60 H -6.5830 -0.0051 -1.1343 H 1 UNL1 0.1445 61 H -6.5822 -2.7472 2.2301 H 1 UNL1 0.1425 62 H -7.8502 -1.5461 1.9913 H 1 UNL1 0.1492 63 H -6.0201 0.5736 0.4393 H 1 UNL1 0.1843 64 H -7.7220 0.1348 0.2064 H 1 UNL1 0.1467 65 H -5.0443 -1.4115 -1.9633 H 1 UNL1 0.1599 66 H -4.3983 -2.3085 2.2033 H 1 UNL1 0.1605 67 H 0.2210 4.8519 0.1215 H 1 UNL1 0.1612 68 H -0.1053 1.1222 -2.0162 H 1 UNL1 0.1794 69 H -2.6162 -1.6399 -2.3865 H 1 UNL1 0.1671 70 H -1.9894 -2.5533 1.7783 H 1 UNL1 0.1574 71 H 2.6159 4.3880 0.5784 H 1 UNL1 0.1607 72 H 2.2802 0.6528 -1.6047 H 1 UNL1 0.2027 73 H 4.5393 3.0918 0.0563 H 1 UNL1 0.3395 74 H 6.2660 -2.3598 0.7879 H 1 UNL1 0.1918 75 H -0.5540 -4.0992 -0.0085 H 1 UNL1 0.3136 76 H 1.8050 -1.3048 0.1164 H 1 UNL1 0.2181 77 H 8.4717 -0.8136 1.4466 H 1 UNL1 0.1872 78 H 5.2346 -3.8601 -0.4660 H 1 UNL1 0.1565 79 H 1.2870 -5.5257 -0.7180 H 1 UNL1 0.1540 80 H 8.8367 1.9308 1.4837 H 1 UNL1 0.1852 81 H 3.7425 -5.7984 -0.8084 H 1 UNL1 0.1500 @BOND 1 69 26 1 2 68 25 1 3 65 22 1 4 50 13 1 5 1 16 2 6 72 31 1 7 58 21 1 8 25 31 ar 9 25 18 ar 10 26 22 ar 11 26 28 ar 12 49 13 1 13 31 29 ar 14 16 18 1 15 16 4 am 16 22 17 ar 17 60 20 1 18 13 4 1 19 13 11 1 20 2 33 2 21 18 24 ar 22 4 12 1 23 81 44 1 24 79 42 1 25 44 42 ar 26 44 41 ar 27 33 28 1 28 33 7 am 29 42 38 ar 30 78 41 1 31 29 5 1 32 29 30 ar 33 21 59 1 34 21 56 1 35 21 15 1 36 41 36 ar 37 28 27 ar 38 38 7 1 39 38 39 ar 40 7 75 1 41 24 30 ar 42 24 67 1 43 52 12 1 44 5 73 1 45 5 32 1 46 8 32 ar 47 8 35 ar 48 36 39 ar 49 36 35 1 50 39 76 1 51 20 64 1 52 20 15 1 53 20 63 1 54 30 71 1 55 32 34 ar 56 35 37 ar 57 12 51 1 58 12 10 1 59 17 15 1 60 17 23 ar 61 47 11 1 62 11 48 1 63 11 3 1 64 15 19 1 65 34 6 ar 66 34 9 ar 67 37 6 ar 68 37 74 1 69 6 40 ar 70 9 43 ar 71 27 23 ar 72 27 70 1 73 23 66 1 74 40 43 ar 75 40 77 1 76 43 80 1 77 3 10 1 78 3 14 1 79 10 45 1 80 10 46 1 81 19 62 1 82 19 61 1 83 19 57 1 84 54 14 1 85 14 55 1 86 14 53 1