@MOLECULE n-(4-carboxybenzoyl)-l-valyl-n-[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-l-prolinamide 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.9634 2.2170 0.0127 O.2 1 UNL111111111 -0.4948 2 C -7.9702 2.1211 0.6874 C.2 1 UNL111111111 0.6350 3 O -7.8184 2.8884 1.7995 O.3 1 UNL111111111 -0.5574 4 C -6.8143 1.2336 0.4765 C.ar 1 UNL111111111 -0.1247 5 C -6.8864 0.3071 -0.5676 C.ar 1 UNL111111111 -0.0854 6 C -5.8135 -0.5485 -0.8002 C.ar 1 UNL111111111 -0.1313 7 C -5.6829 1.3095 1.2904 C.ar 1 UNL111111111 -0.0716 8 C -4.6074 0.4556 1.0535 C.ar 1 UNL111111111 -0.1557 9 C -4.6798 -0.4630 0.0083 C.ar 1 UNL111111111 -0.0740 10 C -3.5619 -1.4119 -0.2592 C.2 1 UNL111111111 0.5721 11 O -3.7167 -2.6139 -0.3460 O.2 1 UNL111111111 -0.5218 12 N -2.3241 -0.8364 -0.4497 N.am 1 UNL111111111 -0.5783 13 C -1.1625 -1.6729 -0.7229 C.3 1 UNL111111111 -0.0028 14 C -0.6008 -1.4714 -2.1631 C.3 1 UNL111111111 -0.0794 15 C -1.5204 -2.1668 -3.1678 C.3 1 UNL111111111 -0.4455 16 C -0.4448 0.0087 -2.5141 C.3 1 UNL111111111 -0.4581 17 C -0.0616 -1.2632 0.2661 C.2 1 UNL111111111 0.5537 18 O 0.0301 -0.1087 0.6633 O.2 1 UNL111111111 -0.6015 19 N 0.8568 -2.1968 0.6516 N.am 1 UNL111111111 -0.4979 20 C 0.8078 -3.6378 0.3400 C.3 1 UNL111111111 -0.0606 21 C 2.0169 -4.2611 1.0668 C.3 1 UNL111111111 -0.2734 22 C 2.4605 -3.2171 2.1064 C.3 1 UNL111111111 -0.2739 23 C 1.9716 -1.8667 1.5535 C.3 1 UNL111111111 0.0209 24 C 3.0877 -1.1863 0.7315 C.2 1 UNL111111111 0.5478 25 O 4.1393 -1.7180 0.4525 O.2 1 UNL111111111 -0.5149 26 N 2.8077 0.1095 0.3539 N.am 1 UNL111111111 -0.6060 27 C 3.7222 0.8357 -0.5196 C.3 1 UNL111111111 -0.0055 28 C 2.9491 1.6106 -1.6232 C.3 1 UNL111111111 -0.0775 29 C 1.9977 2.6648 -1.0599 C.3 1 UNL111111111 -0.4600 30 C 3.9453 2.2491 -2.5918 C.3 1 UNL111111111 -0.4591 31 C 4.5162 1.7775 0.3788 C.2 1 UNL111111111 0.3799 32 O 4.0626 2.6134 1.0968 O.2 1 UNL111111111 -0.3184 33 C 6.0641 1.5731 0.4043 C.3 1 UNL111111111 0.4189 34 F 6.6855 2.5044 1.1187 F 1 UNL111111111 -0.1837 35 F 6.4288 0.4111 0.9322 F 1 UNL111111111 -0.1728 36 F 6.6339 1.6180 -0.7970 F 1 UNL111111111 -0.2018 37 H -8.5869 3.4904 1.9659 H 1 UNL111111111 0.3597 38 H -7.7827 0.2574 -1.1927 H 1 UNL111111111 0.1781 39 H -5.8596 -1.2900 -1.5998 H 1 UNL111111111 0.1734 40 H -5.6410 2.0331 2.1091 H 1 UNL111111111 0.1791 41 H -3.7232 0.5025 1.6907 H 1 UNL111111111 0.1698 42 H -2.1480 0.1543 -0.3377 H 1 UNL111111111 0.3359 43 H -1.4504 -2.7549 -0.5897 H 1 UNL111111111 0.1889 44 H 0.4074 -1.9559 -2.2027 H 1 UNL111111111 0.1365 45 H -1.1803 -2.0035 -4.1965 H 1 UNL111111111 0.1482 46 H -1.5652 -3.2492 -3.0021 H 1 UNL111111111 0.1473 47 H -2.5490 -1.7894 -3.0987 H 1 UNL111111111 0.1578 48 H 0.0503 0.5706 -1.7105 H 1 UNL111111111 0.1590 49 H 0.1527 0.1367 -3.4238 H 1 UNL111111111 0.1479 50 H -1.4149 0.4865 -2.6969 H 1 UNL111111111 0.1546 51 H -0.1497 -4.0731 0.7026 H 1 UNL111111111 0.1461 52 H 0.8669 -3.7959 -0.7575 H 1 UNL111111111 0.1408 53 H 1.7603 -5.2229 1.5367 H 1 UNL111111111 0.1493 54 H 2.8398 -4.4650 0.3552 H 1 UNL111111111 0.1607 55 H 2.0154 -3.4205 3.0953 H 1 UNL111111111 0.1497 56 H 3.5592 -3.2276 2.2456 H 1 UNL111111111 0.1783 57 H 1.6264 -1.1775 2.3677 H 1 UNL111111111 0.1756 58 H 1.8954 0.5280 0.5443 H 1 UNL111111111 0.3544 59 H 4.4132 0.0964 -1.0258 H 1 UNL111111111 0.1920 60 H 2.3429 0.8502 -2.1830 H 1 UNL111111111 0.1458 61 H 2.5285 3.4510 -0.5068 H 1 UNL111111111 0.1667 62 H 1.4380 3.1591 -1.8625 H 1 UNL111111111 0.1483 63 H 1.2568 2.2374 -0.3715 H 1 UNL111111111 0.1543 64 H 4.6415 1.5131 -3.0111 H 1 UNL111111111 0.1530 65 H 3.4250 2.7142 -3.4385 H 1 UNL111111111 0.1533 66 H 4.5380 3.0392 -2.1161 H 1 UNL111111111 0.1550 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 37 1 5 4 5 ar 6 4 7 ar 7 5 6 ar 8 5 38 1 9 6 9 ar 10 6 39 1 11 7 8 ar 12 7 40 1 13 8 9 ar 14 8 41 1 15 9 10 1 16 10 11 2 17 10 12 am 18 12 13 1 19 12 42 1 20 13 14 1 21 13 17 1 22 13 43 1 23 14 15 1 24 14 16 1 25 14 44 1 26 15 45 1 27 15 46 1 28 15 47 1 29 16 48 1 30 16 49 1 31 16 50 1 32 17 18 2 33 17 19 am 34 19 20 1 35 19 23 1 36 20 21 1 37 20 51 1 38 20 52 1 39 21 22 1 40 21 53 1 41 21 54 1 42 22 23 1 43 22 55 1 44 22 56 1 45 23 24 1 46 23 57 1 47 24 25 2 48 24 26 am 49 26 27 1 50 26 58 1 51 27 28 1 52 27 31 1 53 27 59 1 54 28 29 1 55 28 30 1 56 28 60 1 57 29 61 1 58 29 62 1 59 29 63 1 60 30 64 1 61 30 65 1 62 30 66 1 63 31 32 2 64 31 33 1 65 33 34 1 66 33 35 1 67 33 36 1