@MOLECULE 8-[4-(methylsulfonyl)phenyl]-n-[4-(4-morpholinyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine 55 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 7.2496 -1.8588 0.0842 S.O2 1 UNL1 2.2315 2 O -9.7497 -1.0389 0.5031 O.3 1 UNL1 -0.3845 3 O 7.3953 -2.4526 -1.2283 O.2 1 UNL1 -0.9119 4 O 8.3682 -1.2095 0.7373 O.2 1 UNL1 -0.9185 5 N -7.0404 -0.6039 -0.1325 N.pl3 1 UNL1 -0.4155 6 N 0.3042 2.5402 -0.1213 N.ar 1 UNL1 -0.0606 7 N -1.4084 -0.5147 -0.2621 N.pl3 1 UNL1 -0.4498 8 N 0.8165 0.3529 -0.1743 N.ar 1 UNL1 -0.5304 9 N -0.9057 1.9042 -0.1576 N.ar 1 UNL1 -0.3958 10 C -7.6395 0.0137 1.0778 C.3 1 UNL1 -0.1426 11 C -7.6834 -1.9046 -0.4225 C.3 1 UNL1 -0.1505 12 C -9.1453 0.2025 0.8147 C.3 1 UNL1 -0.0468 13 C -9.1834 -1.6323 -0.6507 C.3 1 UNL1 -0.0440 14 C -5.6134 -0.6216 -0.0922 C.ar 1 UNL1 0.1324 15 C -4.9631 0.6150 -0.2495 C.ar 1 UNL1 -0.1513 16 C -4.8476 -1.7897 0.0107 C.ar 1 UNL1 -0.1938 17 C -2.8186 -0.4851 -0.1935 C.ar 1 UNL1 0.1784 18 C -3.5792 0.6870 -0.3000 C.ar 1 UNL1 -0.1811 19 C -3.4610 -1.7256 -0.0425 C.ar 1 UNL1 -0.2043 20 C 2.7002 2.0726 -0.0855 C.2 1 UNL1 -0.0999 21 C 1.3687 1.5858 -0.1293 C.ar 1 UNL1 0.2566 22 C 3.8148 1.1245 -0.0650 C.ar 1 UNL1 0.0440 23 C -0.5753 0.5660 -0.1917 C.ar 1 UNL1 0.4398 24 C 5.9247 -0.6948 0.0110 C.ar 1 UNL1 -0.3898 25 C 2.8907 3.4396 -0.0561 C.3 1 UNL1 -0.0829 26 C 3.8268 0.0285 -0.9330 C.ar 1 UNL1 -0.1485 27 C 4.8729 1.3153 0.8302 C.ar 1 UNL1 -0.1801 28 C 0.4991 3.8910 -0.0866 C.2 1 UNL1 0.0542 29 C 4.8859 -0.8754 -0.8989 C.ar 1 UNL1 -0.0689 30 C 5.9275 0.4067 0.8634 C.ar 1 UNL1 -0.0747 31 C 1.8034 4.3423 -0.0572 C.2 1 UNL1 -0.2447 32 C 6.6543 -3.1308 1.1846 C.3 1 UNL1 -0.7541 33 H -7.1574 0.9960 1.2658 H 1 UNL1 0.1481 34 H -7.4847 -0.6106 1.9839 H 1 UNL1 0.1335 35 H -7.5566 -2.6438 0.3971 H 1 UNL1 0.1307 36 H -7.2310 -2.3326 -1.3427 H 1 UNL1 0.1497 37 H -9.6866 0.5211 1.7225 H 1 UNL1 0.1390 38 H -9.3271 0.9199 -0.0050 H 1 UNL1 0.1312 39 H -9.3483 -0.9790 -1.5259 H 1 UNL1 0.1327 40 H -9.7618 -2.5657 -0.7600 H 1 UNL1 0.1386 41 H -5.5571 1.5235 -0.3529 H 1 UNL1 0.1662 42 H -5.3261 -2.7576 0.1409 H 1 UNL1 0.1561 43 H -3.1039 1.6618 -0.4330 H 1 UNL1 0.1947 44 H -2.8803 -2.6425 0.0380 H 1 UNL1 0.1585 45 H -0.9497 -1.4279 -0.2328 H 1 UNL1 0.3374 46 H 3.9060 3.8456 -0.0373 H 1 UNL1 0.1724 47 H 2.9977 -0.1251 -1.6260 H 1 UNL1 0.1734 48 H 4.8664 2.1650 1.5094 H 1 UNL1 0.1547 49 H -0.3832 4.5399 -0.0850 H 1 UNL1 0.1956 50 H 4.8885 -1.7152 -1.6022 H 1 UNL1 0.1700 51 H 6.7570 0.5774 1.5591 H 1 UNL1 0.1714 52 H 2.0021 5.4134 -0.0342 H 1 UNL1 0.1804 53 H 5.7353 -3.6020 0.8195 H 1 UNL1 0.1819 54 H 6.4621 -2.7493 2.1933 H 1 UNL1 0.1817 55 H 7.3973 -3.9334 1.2901 H 1 UNL1 0.1900 @BOND 1 47 26 1 2 50 29 1 3 39 13 1 4 36 11 1 5 3 1 2 6 26 29 ar 7 26 22 ar 8 29 24 ar 9 40 13 1 10 13 11 1 11 13 2 1 12 43 18 1 13 11 5 1 14 11 35 1 15 41 15 1 16 18 15 ar 17 18 17 ar 18 7 45 1 19 7 17 1 20 7 23 1 21 15 14 ar 22 17 19 ar 23 23 8 ar 24 23 9 ar 25 8 21 ar 26 9 6 ar 27 5 14 1 28 5 10 1 29 21 6 ar 30 21 20 2 31 6 28 1 32 14 16 ar 33 28 49 1 34 28 31 2 35 20 22 1 36 20 25 1 37 22 27 ar 38 31 25 1 39 31 52 1 40 25 46 1 41 19 16 ar 42 19 44 1 43 38 12 1 44 16 42 1 45 24 1 1 46 24 30 ar 47 1 4 2 48 1 32 1 49 2 12 1 50 12 10 1 51 12 37 1 52 53 32 1 53 27 30 ar 54 27 48 1 55 30 51 1 56 10 33 1 57 10 34 1 58 32 55 1 59 32 54 1