@MOLECULE 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-morpholinylcarbonyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2h)-isoquinolinone 79 84 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.1846 -3.8175 -0.0273 C.ar 1 UNL1 0.5258 2 C 2.4542 -2.9368 0.8837 C.ar 1 UNL1 -0.0703 3 C 1.0897 -2.9044 0.9142 C.ar 1 UNL1 -0.0065 4 C 0.3493 -3.7064 0.0041 C.ar 1 UNL1 -0.2055 5 C 1.0110 -4.5126 -0.8976 C.ar 1 UNL1 0.0984 6 N 2.3766 -4.5727 -0.9239 N.ar 1 UNL1 -0.3480 7 C 3.0386 -5.4529 -1.8920 C.3 1 UNL1 -0.2566 8 O 4.3864 -3.9537 -0.0841 O.2 1 UNL1 -0.4886 9 N 3.2124 -2.0999 1.7489 N.pl3 1 UNL1 -0.4532 10 C 3.9819 -1.0931 1.1693 C.ar 1 UNL1 0.4217 11 C 3.7048 -0.5364 -0.1020 C.ar 1 UNL1 -0.3453 12 C 4.4940 0.5145 -0.5408 C.ar 1 UNL1 0.0185 13 C 5.5071 1.0111 0.2832 C.ar 1 UNL1 -0.3199 14 C 5.7235 0.3962 1.5311 C.ar 1 UNL1 0.1748 15 N 4.9844 -0.6259 1.9737 N.ar 1 UNL1 -0.4741 16 C 6.4488 2.0700 -0.1226 C.2 1 UNL1 0.5922 17 O 7.6277 2.0133 0.1746 O.2 1 UNL1 -0.5273 18 N 5.9985 3.1009 -0.9615 N.am 1 UNL1 -0.4800 19 C 7.0028 4.1005 -1.3682 C.3 1 UNL1 -0.1182 20 C 7.0074 5.2986 -0.4036 C.3 1 UNL1 -0.0763 21 O 5.7060 5.8543 -0.3140 O.3 1 UNL1 -0.3806 22 C 4.7501 4.9286 0.1645 C.3 1 UNL1 -0.0770 23 C 4.6709 3.6994 -0.7660 C.3 1 UNL1 -0.1196 24 C -1.1146 -3.6743 0.0272 C.ar 1 UNL1 0.0201 25 C -1.7930 -4.8586 0.3303 C.ar 1 UNL1 -0.1608 26 C -3.1827 -4.8821 0.3843 C.ar 1 UNL1 -0.1307 27 C -3.9036 -3.7154 0.1580 C.ar 1 UNL1 -0.1834 28 C -3.2221 -2.5304 -0.1406 C.ar 1 UNL1 0.1564 29 C -1.8233 -2.4932 -0.2338 C.ar 1 UNL1 -0.0533 30 C -1.1001 -1.2253 -0.6012 C.3 1 UNL1 -0.0007 31 N -4.0080 -1.3437 -0.3436 N.ar 1 UNL1 -0.4529 32 C -4.8382 -1.2778 -1.4499 C.ar 1 UNL1 0.1151 33 C -5.6307 -0.1963 -1.6780 C.ar 1 UNL1 -0.3464 34 C -4.0096 -0.3328 0.6722 C.ar 1 UNL1 0.6149 35 C -4.8880 0.7923 0.4294 C.ar 1 UNL1 -0.3681 36 C -5.6684 0.8959 -0.7423 C.ar 1 UNL1 0.2268 37 C -6.4568 2.0232 -0.9689 C.ar 1 UNL1 -0.4049 38 C -6.4919 3.0835 -0.0384 C.ar 1 UNL1 0.3431 39 C -5.7788 2.9489 1.1869 C.ar 1 UNL1 -0.4151 40 C -4.9972 1.8284 1.3734 C.ar 1 UNL1 0.3576 41 N -7.1153 4.2750 -0.3406 N.pl3 1 UNL1 -0.3756 42 C -7.4887 5.1911 0.7422 C.3 1 UNL1 -0.2419 43 C -7.9367 4.3826 -1.5499 C.3 1 UNL1 -0.2443 44 O -3.2718 -0.4879 1.6168 O.2 1 UNL1 -0.4763 45 O -1.5356 -0.7275 -1.8487 O.3 1 UNL1 -0.5363 46 F -4.3136 1.7112 2.4955 F 1 UNL1 -0.1407 47 H 0.5540 -2.2619 1.6244 H 1 UNL1 0.1924 48 H 0.4625 -5.1249 -1.6249 H 1 UNL1 0.1704 49 H 2.9497 -6.5111 -1.5871 H 1 UNL1 0.1539 50 H 2.6168 -5.3225 -2.9026 H 1 UNL1 0.1529 51 H 4.1257 -5.2171 -1.9495 H 1 UNL1 0.1954 52 H 3.6063 -2.5553 2.5747 H 1 UNL1 0.3261 53 H 2.9078 -0.9346 -0.7184 H 1 UNL1 0.1768 54 H 4.3344 0.9439 -1.5334 H 1 UNL1 0.1641 55 H 6.5361 0.7296 2.1959 H 1 UNL1 0.1883 56 H 8.0128 3.6299 -1.4124 H 1 UNL1 0.1736 57 H 6.7474 4.4328 -2.3989 H 1 UNL1 0.1491 58 H 7.3653 5.0152 0.6018 H 1 UNL1 0.1364 59 H 7.6067 6.1431 -0.7857 H 1 UNL1 0.1419 60 H 4.9950 4.6452 1.2026 H 1 UNL1 0.1290 61 H 3.8134 5.5144 0.1517 H 1 UNL1 0.1445 62 H 4.2869 4.0066 -1.7672 H 1 UNL1 0.1561 63 H 3.9543 2.9580 -0.3548 H 1 UNL1 0.1522 64 H -1.2281 -5.7663 0.5387 H 1 UNL1 0.1577 65 H -3.7036 -5.8090 0.6192 H 1 UNL1 0.1558 66 H -4.9900 -3.7163 0.2315 H 1 UNL1 0.1663 67 H -1.2323 -0.4516 0.1858 H 1 UNL1 0.1524 68 H -0.0162 -1.3781 -0.7859 H 1 UNL1 0.1583 69 H -4.7996 -2.1327 -2.1377 H 1 UNL1 0.1665 70 H -6.2541 -0.1401 -2.5647 H 1 UNL1 0.1777 71 H -7.0450 2.0672 -1.8784 H 1 UNL1 0.1703 72 H -5.8301 3.7179 1.9499 H 1 UNL1 0.1857 73 H -6.5752 5.5795 1.2314 H 1 UNL1 0.1600 74 H -8.0397 6.0626 0.3524 H 1 UNL1 0.1491 75 H -8.1194 4.7033 1.5057 H 1 UNL1 0.1445 76 H -8.8523 3.7687 -1.4972 H 1 UNL1 0.1402 77 H -8.2292 5.4330 -1.7226 H 1 UNL1 0.1506 78 H -7.3475 4.0704 -2.4343 H 1 UNL1 0.1602 79 H -2.4539 -0.3992 -1.7846 H 1 UNL1 0.3144 @BOND 1 50 7 1 2 70 33 1 3 78 43 1 4 57 19 1 5 69 32 1 6 51 7 1 7 7 49 1 8 7 6 1 9 71 37 1 10 45 79 1 11 45 30 1 12 62 23 1 13 77 43 1 14 33 32 ar 15 33 36 ar 16 48 5 1 17 43 76 1 18 43 41 1 19 54 12 1 20 32 31 ar 21 56 19 1 22 19 18 1 23 19 20 1 24 37 36 ar 25 37 38 ar 26 18 23 1 27 18 16 am 28 6 5 ar 29 6 1 ar 30 5 4 ar 31 68 30 1 32 59 20 1 33 23 63 1 34 23 22 1 35 36 35 ar 36 53 11 1 37 30 29 1 38 30 67 1 39 12 11 ar 40 12 13 ar 41 20 21 1 42 20 58 1 43 31 28 1 44 31 34 ar 45 41 38 1 46 41 42 1 47 21 22 1 48 29 28 ar 49 29 24 ar 50 28 27 ar 51 16 17 2 52 16 13 1 53 11 10 ar 54 8 1 2 55 38 39 ar 56 1 2 ar 57 4 24 1 58 4 3 ar 59 24 25 ar 60 61 22 1 61 27 66 1 62 27 26 ar 63 22 60 1 64 13 14 ar 65 25 26 ar 66 25 64 1 67 74 42 1 68 26 65 1 69 35 34 ar 70 35 40 ar 71 34 44 2 72 42 73 1 73 42 75 1 74 2 3 ar 75 2 9 1 76 3 47 1 77 10 9 1 78 10 15 ar 79 39 40 ar 80 39 72 1 81 40 46 1 82 14 15 ar 83 14 55 1 84 9 52 1