@MOLECULE n-[(2s)-2-acetamidopropanoyl]-1-[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-l-prolinamide 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 F 4.0334 -1.1659 1.8218 F 1 UNL1111111111 -0.2061 2 F 4.8629 -2.2808 0.2295 F 1 UNL1111111111 -0.1800 3 F 5.4737 -0.2790 0.5602 F 1 UNL1111111111 -0.1860 4 O -0.8720 2.1166 -1.2931 O.2 1 UNL1111111111 -0.3626 5 O 3.7420 -0.3960 -1.5764 O.2 1 UNL1111111111 -0.2899 6 O -3.2556 0.8402 -1.4191 O.2 1 UNL1111111111 -0.4293 7 O -6.3026 -0.7173 1.7190 O.2 1 UNL1111111111 -0.5450 8 N 1.6363 1.1600 -0.1456 N.3 1 UNL1111111111 -0.4163 9 N -1.7909 0.7974 0.3470 N.am 1 UNL1111111111 -0.6881 10 N -5.1534 -0.6108 -0.2148 N.am 1 UNL1111111111 -0.6148 11 C 0.4918 1.6350 0.6711 C.3 1 UNL1111111111 -0.0392 12 C 1.9290 -0.2827 0.0304 C.3 1 UNL1111111111 -0.0613 13 C 2.7862 2.0541 0.1587 C.3 1 UNL1111111111 -0.1134 14 C 0.7744 3.1037 1.0602 C.3 1 UNL1111111111 -0.2786 15 C 2.1581 3.4236 0.4721 C.3 1 UNL1111111111 -0.2654 16 C 0.9291 -1.1216 -0.8344 C.3 1 UNL1111111111 -0.0561 17 C -0.7519 1.5798 -0.2335 C.2 1 UNL1111111111 0.5619 18 C 3.3367 -0.5523 -0.4662 C.2 1 UNL1111111111 0.3773 19 C 1.2081 -2.6124 -0.6333 C.3 1 UNL1111111111 -0.4693 20 C 0.9754 -0.7499 -2.3142 C.3 1 UNL1111111111 -0.4545 21 C 4.4090 -1.0749 0.5500 C.3 1 UNL1111111111 0.4138 22 C -2.9786 0.4515 -0.3164 C.2 1 UNL1111111111 0.5508 23 C -3.8839 -0.4974 0.4968 C.3 1 UNL1111111111 0.0240 24 C -3.2024 -1.8666 0.6222 C.3 1 UNL1111111111 -0.4672 25 C -6.3318 -0.6983 0.5055 C.2 1 UNL1111111111 0.6168 26 C -7.5904 -0.7745 -0.3071 C.3 1 UNL1111111111 -0.5253 27 H 0.3518 1.0198 1.5927 H 1 UNL1111111111 0.1285 28 H 1.8021 -0.5996 1.0985 H 1 UNL1111111111 0.1427 29 H 3.4286 2.0987 -0.7488 H 1 UNL1111111111 0.1638 30 H 3.4023 1.7052 1.0104 H 1 UNL1111111111 0.1207 31 H 0.0094 3.7945 0.6599 H 1 UNL1111111111 0.1630 32 H 0.7623 3.2298 2.1551 H 1 UNL1111111111 0.1431 33 H 2.7776 4.0144 1.1623 H 1 UNL1111111111 0.1435 34 H 2.0551 4.0194 -0.4563 H 1 UNL1111111111 0.1610 35 H -0.0984 -0.8965 -0.4555 H 1 UNL1111111111 0.1374 36 H 2.1789 -2.9116 -1.0479 H 1 UNL1111111111 0.1551 37 H 1.1871 -2.9029 0.4214 H 1 UNL1111111111 0.1428 38 H 0.4531 -3.2168 -1.1534 H 1 UNL1111111111 0.1580 39 H 1.8947 -1.0821 -2.8087 H 1 UNL1111111111 0.1589 40 H 0.9178 0.3444 -2.4467 H 1 UNL1111111111 0.1833 41 H 0.1306 -1.1822 -2.8603 H 1 UNL1111111111 0.1460 42 H -1.6482 0.4291 1.2831 H 1 UNL1111111111 0.3114 43 H -4.0730 -0.0673 1.5252 H 1 UNL1111111111 0.1857 44 H -2.9929 -2.3124 -0.3550 H 1 UNL1111111111 0.1617 45 H -3.8600 -2.5676 1.1595 H 1 UNL1111111111 0.1746 46 H -2.2636 -1.8136 1.1792 H 1 UNL1111111111 0.1468 47 H -5.1250 -0.5242 -1.2212 H 1 UNL1111111111 0.3326 48 H -7.8493 0.2091 -0.7265 H 1 UNL1111111111 0.1821 49 H -8.4352 -1.0848 0.3309 H 1 UNL1111111111 0.1881 50 H -7.5237 -1.4920 -1.1345 H 1 UNL1111111111 0.1727 @BOND 1 1 21 1 2 2 21 1 3 3 21 1 4 4 17 2 5 5 18 2 6 6 22 2 7 7 25 2 8 8 11 1 9 8 12 1 10 8 13 1 11 9 17 am 12 9 22 am 13 9 42 1 14 10 23 1 15 10 25 am 16 10 47 1 17 11 14 1 18 11 17 1 19 11 27 1 20 12 16 1 21 12 18 1 22 12 28 1 23 13 15 1 24 13 29 1 25 13 30 1 26 14 15 1 27 14 31 1 28 14 32 1 29 15 33 1 30 15 34 1 31 16 19 1 32 16 20 1 33 16 35 1 34 18 21 1 35 19 36 1 36 19 37 1 37 19 38 1 38 20 39 1 39 20 40 1 40 20 41 1 41 22 23 1 42 23 24 1 43 23 43 1 44 24 44 1 45 24 45 1 46 24 46 1 47 25 26 1 48 26 48 1 49 26 49 1 50 26 50 1