@MOLECULE n-methyl-d-phenylalanyl-n-[(2s)-4,4,5,5,5-pentafluoro-1-(1h-indol-3-yl)-3-oxo-2-pentanyl]-l-prolinamide 69 72 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.0493 0.8900 -2.3647 N.3 1 UNL1111111111 -0.5160 2 C -2.6915 -0.1802 -1.5862 C.3 1 UNL1111111111 0.0001 3 C -1.8659 -0.4868 -0.3263 C.2 1 UNL1111111111 0.5267 4 O -1.7746 0.3468 0.5650 O.2 1 UNL1111111111 -0.5913 5 C -4.0808 0.3030 -1.1146 C.3 1 UNL1111111111 -0.2967 6 C -4.7207 -0.7774 -0.3014 C.ar 1 UNL1111111111 -0.0031 7 C -4.6054 -0.7588 1.0906 C.ar 1 UNL1111111111 -0.1568 8 C -5.3896 -1.8284 -0.9307 C.ar 1 UNL1111111111 -0.1806 9 C -5.1480 -1.7933 1.8476 C.ar 1 UNL1111111111 -0.1426 10 C -5.9310 -2.8624 -0.1700 C.ar 1 UNL1111111111 -0.1445 11 C -5.8088 -2.8474 1.2183 C.ar 1 UNL1111111111 -0.1617 12 C -0.7929 0.4427 -3.0006 C.3 1 UNL1111111111 -0.2794 13 N -1.1349 -1.6412 -0.2364 N.am 1 UNL1111111111 -0.5028 14 C -0.2969 -1.9205 0.9429 C.3 1 UNL1111111111 0.0264 15 C 1.0419 -1.1782 0.7827 C.2 1 UNL1111111111 0.5677 16 O 2.1267 -1.7275 0.7073 O.2 1 UNL1111111111 -0.5694 17 C -0.0822 -3.4437 0.9487 C.3 1 UNL1111111111 -0.2733 18 C -0.3738 -3.9059 -0.4894 C.3 1 UNL1111111111 -0.2747 19 C -1.2898 -2.8256 -1.0987 C.3 1 UNL1111111111 -0.0602 20 N 0.9661 0.1898 0.7602 N.am 1 UNL1111111111 -0.5974 21 C 2.1529 0.9822 0.4362 C.3 1 UNL1111111111 0.0217 22 C 1.9632 2.4345 0.9421 C.3 1 UNL1111111111 -0.2607 23 C 0.8481 3.0721 0.2121 C.ar 1 UNL1111111111 -0.1264 24 C 0.9142 3.6773 -1.0335 C.ar 1 UNL1111111111 -0.0410 25 C -0.5266 3.1184 0.6379 C.ar 1 UNL1111111111 -0.0832 26 C -1.2619 3.7572 -0.4089 C.ar 1 UNL1111111111 0.0907 27 N -0.3633 4.0855 -1.4256 N.ar 1 UNL1111111111 -0.3857 28 C -2.6497 3.9414 -0.3433 C.ar 1 UNL1111111111 -0.2278 29 C -3.2921 3.4799 0.7898 C.ar 1 UNL1111111111 -0.1066 30 C -2.5819 2.8543 1.8377 C.ar 1 UNL1111111111 -0.1686 31 C -1.2130 2.6712 1.7736 C.ar 1 UNL1111111111 -0.0817 32 C 3.3595 0.3590 1.1356 C.2 1 UNL1111111111 0.4114 33 O 3.4741 0.2274 2.3149 O.2 1 UNL1111111111 -0.3180 34 C 4.5598 -0.0441 0.2283 C.3 1 UNL1111111111 0.2119 35 F 4.8617 0.9539 -0.6117 F 1 UNL1111111111 -0.1788 36 F 5.6569 -0.1529 0.9817 F 1 UNL1111111111 -0.1520 37 C 4.4061 -1.3598 -0.6057 C.3 1 UNL1111111111 0.4892 38 F 3.3343 -1.3680 -1.3881 F 1 UNL1111111111 -0.1773 39 F 5.4326 -1.5296 -1.4385 F 1 UNL1111111111 -0.1951 40 F 4.3713 -2.4563 0.1330 F 1 UNL1111111111 -0.1442 41 H -1.8815 1.7203 -1.7888 H 1 UNL1111111111 0.2768 42 H -2.8110 -1.0794 -2.2399 H 1 UNL1111111111 0.1579 43 H -3.9724 1.2426 -0.5257 H 1 UNL1111111111 0.1799 44 H -4.6941 0.5797 -1.9960 H 1 UNL1111111111 0.1705 45 H -4.0714 0.0598 1.5791 H 1 UNL1111111111 0.1754 46 H -5.4890 -1.8399 -2.0137 H 1 UNL1111111111 0.1515 47 H -5.0528 -1.7793 2.9314 H 1 UNL1111111111 0.1495 48 H -6.4510 -3.6819 -0.6610 H 1 UNL1111111111 0.1456 49 H -6.2304 -3.6560 1.8105 H 1 UNL1111111111 0.1472 50 H -0.3656 1.2891 -3.5639 H 1 UNL1111111111 0.1485 51 H -0.0285 0.0807 -2.2948 H 1 UNL1111111111 0.1297 52 H -1.0096 -0.3583 -3.7264 H 1 UNL1111111111 0.1480 53 H -0.8025 -1.5627 1.8792 H 1 UNL1111111111 0.1760 54 H -0.7591 -3.9306 1.6710 H 1 UNL1111111111 0.1475 55 H 0.9508 -3.7071 1.2539 H 1 UNL1111111111 0.1838 56 H -0.8458 -4.8997 -0.5111 H 1 UNL1111111111 0.1469 57 H 0.5689 -3.9886 -1.0629 H 1 UNL1111111111 0.1604 58 H -2.3511 -3.1560 -1.1106 H 1 UNL1111111111 0.1401 59 H -0.9907 -2.5765 -2.1386 H 1 UNL1111111111 0.1408 60 H 0.0705 0.6855 0.7934 H 1 UNL1111111111 0.3636 61 H 2.2845 0.9992 -0.6802 H 1 UNL1111111111 0.1612 62 H 1.7704 2.4295 2.0393 H 1 UNL1111111111 0.1786 63 H 2.9068 3.0051 0.8104 H 1 UNL1111111111 0.1654 64 H 1.7671 3.8413 -1.6659 H 1 UNL1111111111 0.1696 65 H -0.5871 4.5820 -2.2554 H 1 UNL1111111111 0.3145 66 H -3.1892 4.4224 -1.1507 H 1 UNL1111111111 0.1581 67 H -4.3714 3.5965 0.8862 H 1 UNL1111111111 0.1512 68 H -3.1351 2.4996 2.7055 H 1 UNL1111111111 0.1550 69 H -0.6729 2.1773 2.5795 H 1 UNL1111111111 0.1584 @BOND 1 1 2 1 2 1 41 1 3 2 3 1 4 2 5 1 5 2 42 1 6 3 13 am 7 3 4 2 8 5 6 1 9 5 43 1 10 5 44 1 11 6 7 ar 12 6 8 ar 13 7 9 ar 14 7 45 1 15 8 46 1 16 9 11 ar 17 9 47 1 18 10 8 ar 19 10 48 1 20 11 10 ar 21 11 49 1 22 12 1 1 23 12 50 1 24 12 51 1 25 12 52 1 26 13 19 1 27 13 14 1 28 14 15 1 29 14 53 1 30 15 20 am 31 15 16 2 32 17 14 1 33 17 54 1 34 17 55 1 35 18 17 1 36 18 56 1 37 18 57 1 38 19 18 1 39 19 58 1 40 19 59 1 41 20 21 1 42 20 60 1 43 21 22 1 44 21 32 1 45 21 61 1 46 22 23 1 47 22 62 1 48 22 63 1 49 23 24 ar 50 23 25 ar 51 24 27 ar 52 24 64 1 53 25 26 ar 54 25 31 ar 55 26 27 ar 56 26 28 ar 57 27 65 1 58 28 29 ar 59 28 66 1 60 29 30 ar 61 29 67 1 62 30 31 ar 63 30 68 1 64 31 69 1 65 32 33 2 66 32 34 1 67 34 35 1 68 34 36 1 69 34 37 1 70 37 38 1 71 37 39 1 72 37 40 1