@MOLECULE (2s,3s)-3-amino-4-[(3s)-3-fluoro-1-pyrrolidinyl]-n,n-dimethyl-4-oxo-2-[trans-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl]butanamide 62 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.1173 0.6969 1.0142 C.ar 1 UNL1 -0.2043 2 C 4.9699 1.8335 0.9834 C.ar 1 UNL1 -0.2753 3 C 4.3051 0.7445 0.4564 C.ar 1 UNL1 0.1818 4 C 6.4763 -0.4417 0.4751 C.ar 1 UNL1 0.2322 5 C 6.3613 1.8120 1.2606 C.ar 1 UNL1 -0.0767 6 N 5.0691 -0.3801 0.2115 N.ar 1 UNL1 -0.1053 7 N 4.6591 -1.5766 -0.3008 N.ar 1 UNL1 -0.3198 8 C 5.7843 -2.3405 -0.3463 C.ar 1 UNL1 0.1284 9 N 6.9035 -1.6767 0.1187 N.ar 1 UNL1 -0.4447 10 C -1.2383 -0.2381 -1.0860 C.3 1 UNL1 -0.2240 11 C -2.0435 -1.4233 -0.4947 C.3 1 UNL1 -0.0105 12 C -3.5268 -1.1600 -0.8281 C.2 1 UNL1 0.5004 13 N -4.4639 -1.1151 0.1702 N.am 1 UNL1 -0.4769 14 C -1.8445 1.0421 -0.5325 C.2 1 UNL1 0.5626 15 N -1.6098 -2.6766 -1.1290 N.3 1 UNL1 -0.6184 16 O -3.8805 -1.0953 -1.9955 O.2 1 UNL1 -0.5770 17 O -1.9961 1.1973 0.6701 O.2 1 UNL1 -0.5874 18 N -2.1858 2.0665 -1.3911 N.am 1 UNL1 -0.4505 19 C -2.8971 3.2204 -0.8296 C.3 1 UNL1 -0.2330 20 C -2.3911 1.8369 -2.8232 C.3 1 UNL1 -0.2450 21 C -4.1642 -0.8824 1.5907 C.3 1 UNL1 -0.1329 22 C -5.5269 -0.5292 2.2435 C.3 1 UNL1 0.1010 23 C -6.4506 -0.0938 1.0884 C.3 1 UNL1 -0.3398 24 C -5.8556 -0.7471 -0.1688 C.3 1 UNL1 -0.0624 25 F -5.3621 0.4916 3.1164 F 1 UNL1 -0.2105 26 C 2.8308 0.7792 0.1660 C.3 1 UNL1 -0.1173 27 C 2.5509 0.5571 -1.3312 C.3 1 UNL1 -0.2707 28 C 1.0468 0.6853 -1.5963 C.3 1 UNL1 -0.2774 29 C 0.2659 -0.3350 -0.7458 C.3 1 UNL1 -0.0730 30 C 0.5667 -0.1219 0.7457 C.3 1 UNL1 -0.2646 31 C 2.0710 -0.2669 1.0017 C.3 1 UNL1 -0.2716 32 H -2.0536 -3.4812 -0.7144 H 1 UNL1 0.2559 33 H -1.7974 -2.6752 -2.1232 H 1 UNL1 0.2655 34 H -1.8591 -1.4932 0.6073 H 1 UNL1 0.1757 35 H -5.8828 -0.0688 -1.0495 H 1 UNL1 0.1566 36 H -6.4028 -1.6707 -0.4595 H 1 UNL1 0.1496 37 H -7.4935 -0.4045 1.2578 H 1 UNL1 0.1570 38 H -6.4740 1.0079 0.9854 H 1 UNL1 0.1681 39 H -5.9485 -1.3999 2.8071 H 1 UNL1 0.1391 40 H -3.7262 -1.7997 2.0354 H 1 UNL1 0.1496 41 H -3.4208 -0.0554 1.7230 H 1 UNL1 0.1954 42 H -1.3368 -0.2896 -2.2004 H 1 UNL1 0.1742 43 H -2.6138 4.1358 -1.3743 H 1 UNL1 0.1429 44 H -3.9909 3.0916 -0.8750 H 1 UNL1 0.1345 45 H -2.6207 3.3610 0.2351 H 1 UNL1 0.1766 46 H -3.1005 1.0055 -3.0122 H 1 UNL1 0.1645 47 H -2.7958 2.7376 -3.3134 H 1 UNL1 0.1522 48 H -1.4279 1.6023 -3.3111 H 1 UNL1 0.1483 49 H 0.6022 -1.3705 -1.0252 H 1 UNL1 0.1748 50 H 0.7042 1.7123 -1.3687 H 1 UNL1 0.1422 51 H 0.8464 0.5229 -2.6708 H 1 UNL1 0.1324 52 H 3.1156 1.2824 -1.9420 H 1 UNL1 0.1335 53 H 2.9036 -0.4485 -1.6413 H 1 UNL1 0.1687 54 H 2.4392 1.7947 0.4450 H 1 UNL1 0.1594 55 H 5.8071 -3.3591 -0.7067 H 1 UNL1 0.2060 56 H 8.1874 0.6431 1.2133 H 1 UNL1 0.1917 57 H 6.8200 2.7110 1.6782 H 1 UNL1 0.1664 58 H 4.4142 2.7465 1.1992 H 1 UNL1 0.1813 59 H 2.4048 -1.2902 0.7332 H 1 UNL1 0.1667 60 H 2.2935 -0.1413 2.0753 H 1 UNL1 0.1341 61 H 0.2180 0.8743 1.0819 H 1 UNL1 0.1584 62 H 0.0077 -0.8525 1.3582 H 1 UNL1 0.1416 @BOND 1 47 20 1 2 48 20 1 3 46 20 1 4 20 18 1 5 51 28 1 6 42 10 1 7 33 15 1 8 16 12 2 9 52 27 1 10 53 27 1 11 28 50 1 12 28 27 1 13 28 29 1 14 18 19 1 15 18 14 am 16 43 19 1 17 27 26 1 18 15 32 1 19 15 11 1 20 10 29 1 21 10 14 1 22 10 11 1 23 35 24 1 24 49 29 1 25 44 19 1 26 19 45 1 27 12 11 1 28 12 13 am 29 29 30 1 30 55 8 1 31 14 17 2 32 11 34 1 33 36 24 1 34 8 7 ar 35 8 9 ar 36 7 6 ar 37 24 13 1 38 24 23 1 39 9 4 ar 40 26 54 1 41 26 3 1 42 26 31 1 43 13 21 1 44 6 3 ar 45 6 4 ar 46 3 2 ar 47 4 1 ar 48 59 31 1 49 30 31 1 50 30 61 1 51 30 62 1 52 2 58 1 53 2 5 ar 54 38 23 1 55 31 60 1 56 1 56 1 57 1 5 ar 58 23 37 1 59 23 22 1 60 5 57 1 61 21 41 1 62 21 40 1 63 21 22 1 64 22 39 1 65 22 25 1