@MOLECULE n~2~-(trifluoroacetyl)-n-[(2s)-2-{[4-(trifluoromethyl)phenyl]amino}propanoyl]-l-lysinamide 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.9373 0.8467 -1.9043 F 1 UNL1111111111 -0.1914 2 F 7.1463 -0.6152 -0.9585 F 1 UNL1111111111 -0.1659 3 F 7.0278 1.3515 -0.1649 F 1 UNL1111111111 -0.1664 4 F -5.4697 2.6194 -0.1437 F 1 UNL1111111111 -0.2103 5 F -6.2510 1.5872 -1.7999 F 1 UNL1111111111 -0.2070 6 F -7.1146 1.3355 0.1029 F 1 UNL1111111111 -0.2108 7 O 1.8042 -1.2678 -1.3845 O.2 1 UNL1111111111 -0.4101 8 O -0.4392 -2.8196 -1.1667 O.2 1 UNL1111111111 -0.3857 9 O 5.4571 -0.3680 1.3652 O.2 1 UNL1111111111 -0.4516 10 N 3.8846 -0.0622 -0.2423 N.am 1 UNL1111111111 -0.5475 11 N 0.7264 -1.8204 0.5622 N.am 1 UNL1111111111 -0.6656 12 N -2.6969 -3.1277 0.4853 N.pl3 1 UNL1111111111 -0.5217 13 N -0.0792 5.1219 1.2141 N.3 1 UNL1111111111 -0.6506 14 C 2.2012 0.7228 1.4069 C.3 1 UNL1111111111 -0.2948 15 C 2.8101 -0.4829 0.6653 C.3 1 UNL1111111111 -0.0056 16 C 1.5631 1.7556 0.4708 C.3 1 UNL1111111111 -0.2697 17 C 0.9995 2.9207 1.2894 C.3 1 UNL1111111111 -0.2862 18 C 1.7508 -1.2134 -0.1862 C.2 1 UNL1111111111 0.5489 19 C 0.3966 4.0006 0.3721 C.3 1 UNL1111111111 -0.0988 20 C -1.3576 -3.0563 1.0575 C.3 1 UNL1111111111 0.0106 21 C -0.3358 -2.5657 -0.0017 C.2 1 UNL1111111111 0.5265 22 C 5.1615 -0.0588 0.2350 C.2 1 UNL1111111111 0.5037 23 C -0.9046 -4.4491 1.5024 C.3 1 UNL1111111111 -0.4627 24 C -3.4125 -1.9632 0.2094 C.ar 1 UNL1111111111 0.2899 25 C 6.3062 0.3830 -0.7141 C.3 1 UNL1111111111 0.4508 26 C -2.9642 -0.6781 0.5690 C.ar 1 UNL1111111111 -0.3147 27 C -4.6813 -2.1201 -0.3951 C.ar 1 UNL1111111111 -0.2896 28 C -5.0296 0.2655 -0.2552 C.ar 1 UNL1111111111 -0.2357 29 C -3.7732 0.4265 0.3252 C.ar 1 UNL1111111111 0.0050 30 C -5.4757 -1.0110 -0.6171 C.ar 1 UNL1111111111 -0.0033 31 C -5.9332 1.4258 -0.5134 C.3 1 UNL1111111111 0.5678 32 H 3.0050 1.2173 1.9993 H 1 UNL1111111111 0.1725 33 H 1.4631 0.3765 2.1554 H 1 UNL1111111111 0.1404 34 H 3.2385 -1.2055 1.4252 H 1 UNL1111111111 0.1851 35 H 2.3138 2.1333 -0.2512 H 1 UNL1111111111 0.1494 36 H 0.7652 1.2912 -0.1398 H 1 UNL1111111111 0.1463 37 H 0.2375 2.5569 2.0044 H 1 UNL1111111111 0.1365 38 H 1.7944 3.3804 1.9132 H 1 UNL1111111111 0.1592 39 H 3.6191 0.1388 -1.2024 H 1 UNL1111111111 0.3511 40 H 1.1771 4.3966 -0.3144 H 1 UNL1111111111 0.1426 41 H -0.4067 3.5683 -0.2615 H 1 UNL1111111111 0.1130 42 H -1.3898 -2.3640 1.9429 H 1 UNL1111111111 0.1626 43 H 0.7499 -1.7173 1.5734 H 1 UNL1111111111 0.3142 44 H -2.8623 -3.9269 -0.1212 H 1 UNL1111111111 0.3160 45 H -0.8242 -5.1458 0.6560 H 1 UNL1111111111 0.1702 46 H -1.6161 -4.8859 2.2181 H 1 UNL1111111111 0.1732 47 H 0.0738 -4.4172 1.9977 H 1 UNL1111111111 0.1614 48 H -0.3985 5.8983 0.6588 H 1 UNL1111111111 0.2515 49 H -0.8191 4.8407 1.8348 H 1 UNL1111111111 0.2462 50 H -1.9890 -0.5303 1.0169 H 1 UNL1111111111 0.1569 51 H -5.0300 -3.1116 -0.6735 H 1 UNL1111111111 0.1686 52 H -3.4038 1.4185 0.5937 H 1 UNL1111111111 0.1600 53 H -6.4571 -1.1400 -1.0836 H 1 UNL1111111111 0.1658 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 4 31 1 5 5 31 1 6 6 31 1 7 7 18 2 8 8 21 2 9 9 22 2 10 10 15 1 11 10 22 am 12 10 39 1 13 11 18 am 14 11 21 am 15 11 43 1 16 12 20 1 17 12 24 1 18 12 44 1 19 13 19 1 20 13 48 1 21 13 49 1 22 14 15 1 23 14 16 1 24 14 32 1 25 14 33 1 26 15 18 1 27 15 34 1 28 16 17 1 29 16 35 1 30 16 36 1 31 17 19 1 32 17 37 1 33 17 38 1 34 19 40 1 35 19 41 1 36 20 21 1 37 20 23 1 38 20 42 1 39 22 25 1 40 23 45 1 41 23 46 1 42 23 47 1 43 24 26 ar 44 24 27 ar 45 26 29 ar 46 26 50 1 47 27 30 ar 48 27 51 1 49 28 29 ar 50 28 30 ar 51 28 31 1 52 29 52 1 53 30 53 1