@MOLECULE (2s,3s)-3-amino-4-[(3s)-3-fluoro-1-pyrrolidinyl]-n,n-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.8656 -0.6553 0.4303 C.ar 1 UNL1 0.2102 2 C 6.1488 -1.7798 -0.0444 C.ar 1 UNL1 -0.1726 3 C 4.8039 -1.6558 -0.2655 C.ar 1 UNL1 -0.1084 4 C 4.1202 -0.4265 -0.0237 C.ar 1 UNL1 -0.0815 5 C 4.7935 0.6827 0.4428 C.ar 1 UNL1 0.0176 6 N 6.1438 0.5566 0.6600 N.ar 1 UNL1 -0.0748 7 N 6.9953 1.5186 1.1089 N.ar 1 UNL1 -0.3085 8 C 8.2118 0.9045 1.1513 C.ar 1 UNL1 0.1265 9 N 8.1621 -0.4163 0.7450 N.ar 1 UNL1 -0.4368 10 C 2.6793 -0.3485 -0.2782 C.ar 1 UNL1 -0.0245 11 C 2.1824 -0.6445 -1.5499 C.ar 1 UNL1 -0.1353 12 C 0.8150 -0.5716 -1.7965 C.ar 1 UNL1 -0.1572 13 C -0.0594 -0.2028 -0.7724 C.ar 1 UNL1 0.0330 14 C 0.4372 0.0809 0.5026 C.ar 1 UNL1 -0.1501 15 C 1.8036 0.0116 0.7496 C.ar 1 UNL1 -0.1352 16 C -1.5326 -0.1126 -1.0484 C.3 1 UNL1 -0.2250 17 C -2.2981 -1.2576 -0.3315 C.3 1 UNL1 0.0058 18 C -3.7816 -1.1196 -0.7318 C.2 1 UNL1 0.5062 19 N -4.7600 -1.1184 0.2308 N.am 1 UNL1 -0.4722 20 C -2.0341 1.2264 -0.5137 C.2 1 UNL1 0.5715 21 N -1.7846 -2.5537 -0.7980 N.3 1 UNL1 -0.6237 22 O -4.0866 -1.1570 -1.9125 O.2 1 UNL1 -0.5644 23 O -2.4465 1.3249 0.6325 O.2 1 UNL1 -0.5946 24 N -2.0158 2.3193 -1.3339 N.am 1 UNL1 -0.4423 25 C -2.4378 3.6207 -0.8145 C.3 1 UNL1 -0.2244 26 C -1.4575 2.2944 -2.6834 C.3 1 UNL1 -0.2331 27 C -4.5379 -0.7334 1.6334 C.3 1 UNL1 -0.1326 28 C -5.9408 -0.3767 2.1924 C.3 1 UNL1 0.0985 29 C -6.8347 -0.1188 0.9632 C.3 1 UNL1 -0.3408 30 C -6.1602 -0.8836 -0.1862 C.3 1 UNL1 -0.0640 31 F -5.8580 0.7424 2.9492 F 1 UNL1 -0.2126 32 H 6.6969 -2.7073 -0.2164 H 1 UNL1 0.1931 33 H 4.2177 -2.5047 -0.6282 H 1 UNL1 0.1778 34 H 4.3256 1.6521 0.6440 H 1 UNL1 0.2018 35 H 9.1229 1.3921 1.4679 H 1 UNL1 0.2064 36 H 2.8654 -0.9304 -2.3481 H 1 UNL1 0.1543 37 H 0.4305 -0.8200 -2.7835 H 1 UNL1 0.1540 38 H -0.2496 0.3605 1.3057 H 1 UNL1 0.1762 39 H 2.1878 0.2272 1.7454 H 1 UNL1 0.1578 40 H -1.7440 -0.2033 -2.1470 H 1 UNL1 0.1879 41 H -2.1397 -1.1820 0.7742 H 1 UNL1 0.1784 42 H -2.1904 -3.3245 -0.2912 H 1 UNL1 0.2588 43 H -1.9448 -2.6862 -1.7875 H 1 UNL1 0.2658 44 H -3.1492 4.1009 -1.5070 H 1 UNL1 0.1420 45 H -2.9466 3.5028 0.1650 H 1 UNL1 0.1807 46 H -1.5709 4.2859 -0.6625 H 1 UNL1 0.1382 47 H -2.1120 1.7157 -3.3641 H 1 UNL1 0.1540 48 H -1.3698 3.3141 -3.0959 H 1 UNL1 0.1533 49 H -0.4461 1.8472 -2.6918 H 1 UNL1 0.1492 50 H -4.0860 -1.5849 2.1827 H 1 UNL1 0.1479 51 H -3.8343 0.1331 1.7172 H 1 UNL1 0.1969 52 H -6.3460 -1.1977 2.8362 H 1 UNL1 0.1374 53 H -6.8972 0.9621 0.7310 H 1 UNL1 0.1699 54 H -7.8700 -0.4540 1.1292 H 1 UNL1 0.1553 55 H -6.2019 -0.3234 -1.1468 H 1 UNL1 0.1617 56 H -6.6391 -1.8702 -0.3688 H 1 UNL1 0.1466 @BOND 1 47 26 1 2 48 26 1 3 37 12 1 4 49 26 1 5 26 24 1 6 36 11 1 7 40 16 1 8 22 18 2 9 12 11 ar 10 12 13 ar 11 43 21 1 12 11 10 ar 13 44 25 1 14 24 25 1 15 24 20 am 16 55 30 1 17 16 13 1 18 16 20 1 19 16 17 1 20 25 46 1 21 25 45 1 22 21 17 1 23 21 42 1 24 13 14 ar 25 18 17 1 26 18 19 am 27 33 3 1 28 20 23 2 29 56 30 1 30 17 41 1 31 10 4 1 32 10 15 ar 33 3 2 ar 34 3 4 ar 35 32 2 1 36 30 19 1 37 30 29 1 38 2 1 ar 39 4 5 ar 40 19 27 1 41 1 6 ar 42 1 9 ar 43 5 34 1 44 5 6 ar 45 14 15 ar 46 14 38 1 47 6 7 ar 48 53 29 1 49 9 8 ar 50 15 39 1 51 29 54 1 52 29 28 1 53 7 8 ar 54 8 35 1 55 27 51 1 56 27 50 1 57 27 28 1 58 28 52 1 59 28 31 1