@MOLECULE l-tyrosyl-n~5~-(diaminomethylene)-l-ornithyl-l-isoleucinamide 67 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4471 -0.5637 1.6502 O.2 1 UNL1111111111 -0.5575 2 O 1.1995 -4.1107 -1.4923 O.2 1 UNL1111111111 -0.5368 3 O -0.5264 2.5454 -1.8073 O.2 1 UNL1111111111 -0.5109 4 O -5.4423 -1.0869 0.4519 O.3 1 UNL1111111111 -0.4839 5 N 0.5320 -1.8038 -0.2399 N.am 1 UNL1111111111 -0.5812 6 N 0.0823 1.7346 0.2020 N.am 1 UNL1111111111 -0.6112 7 N 1.5909 -5.1698 0.4493 N.am 1 UNL1111111111 -0.6842 8 N -0.7004 5.0258 -0.1107 N.3 1 UNL1111111111 -0.6485 9 N 5.2311 0.6151 0.2737 N.pl3 1 UNL1111111111 -0.5640 10 N 7.3125 1.8792 0.2892 N.pl3 1 UNL1111111111 -0.6801 11 N 7.1802 -0.2982 -0.6329 N.pl3 1 UNL1111111111 -0.6273 12 C -1.2601 -3.4460 0.4370 C.3 1 UNL1111111111 -0.0987 13 C 0.2526 -3.0587 0.4577 C.3 1 UNL1111111111 -0.0085 14 C 0.8278 0.6359 -0.4152 C.3 1 UNL1111111111 0.0156 15 C -1.8906 -3.1290 -0.9295 C.3 1 UNL1111111111 -0.2617 16 C 2.3372 0.9314 -0.4810 C.3 1 UNL1111111111 -0.2857 17 C 0.5850 -0.6155 0.4437 C.2 1 UNL1111111111 0.5651 18 C -1.9816 -2.7102 1.5662 C.3 1 UNL1111111111 -0.4518 19 C 2.9557 1.1816 0.8951 C.3 1 UNL1111111111 -0.2551 20 C 1.0481 -4.1407 -0.2871 C.2 1 UNL1111111111 0.5582 21 C -3.3271 -3.6364 -1.0351 C.3 1 UNL1111111111 -0.4405 22 C -1.3639 3.7324 0.1447 C.3 1 UNL1111111111 -0.0126 23 C -0.5770 2.6421 -0.6012 C.2 1 UNL1111111111 0.5695 24 C 4.4013 1.7024 0.7655 C.3 1 UNL1111111111 -0.0813 25 C -2.7843 3.7695 -0.4625 C.3 1 UNL1111111111 -0.2851 26 C -3.4931 2.4828 -0.1801 C.ar 1 UNL1111111111 -0.0769 27 C -3.4515 1.4538 -1.1309 C.ar 1 UNL1111111111 -0.0883 28 C -4.1755 2.2987 1.0218 C.ar 1 UNL1111111111 -0.0952 29 C -4.1040 0.2540 -0.8978 C.ar 1 UNL1111111111 -0.2420 30 C -4.8431 1.1018 1.2779 C.ar 1 UNL1111111111 -0.3023 31 C 6.4880 0.7662 0.0036 C.cat 1 UNL1111111111 0.5082 32 C -4.8055 0.1043 0.3022 C.ar 1 UNL1111111111 0.2863 33 H -1.3376 -4.5452 0.6199 H 1 UNL1111111111 0.1348 34 H 0.5903 -2.9651 1.5266 H 1 UNL1111111111 0.1799 35 H 0.4480 0.4808 -1.4674 H 1 UNL1111111111 0.1817 36 H -1.2742 -3.5792 -1.7339 H 1 UNL1111111111 0.1497 37 H -1.8780 -2.0350 -1.1061 H 1 UNL1111111111 0.1459 38 H 2.4977 1.8079 -1.1409 H 1 UNL1111111111 0.1566 39 H 2.8667 0.0885 -0.9746 H 1 UNL1111111111 0.1690 40 H 0.6372 -1.8706 -1.2468 H 1 UNL1111111111 0.3365 41 H -1.5545 -2.9389 2.5485 H 1 UNL1111111111 0.1418 42 H -3.0453 -2.9706 1.5947 H 1 UNL1111111111 0.1492 43 H -1.9189 -1.6204 1.4385 H 1 UNL1111111111 0.1658 44 H 2.3588 1.9092 1.4723 H 1 UNL1111111111 0.1331 45 H 2.9533 0.2436 1.4902 H 1 UNL1111111111 0.1671 46 H 0.0351 1.7353 1.2105 H 1 UNL1111111111 0.3293 47 H -3.4107 -4.6942 -0.7692 H 1 UNL1111111111 0.1375 48 H -3.7092 -3.5188 -2.0559 H 1 UNL1111111111 0.1422 49 H -4.0022 -3.0729 -0.3759 H 1 UNL1111111111 0.1561 50 H -1.4347 3.4993 1.2383 H 1 UNL1111111111 0.1242 51 H 4.7521 2.0437 1.7667 H 1 UNL1111111111 0.1267 52 H 4.4246 2.5844 0.0861 H 1 UNL1111111111 0.1204 53 H -3.3434 4.6416 -0.0754 H 1 UNL1111111111 0.1512 54 H -2.6976 3.9526 -1.5597 H 1 UNL1111111111 0.1875 55 H 1.5102 -5.2383 1.4377 H 1 UNL1111111111 0.3056 56 H 2.1053 -5.8926 -0.0203 H 1 UNL1111111111 0.3143 57 H -1.1051 5.7725 0.4264 H 1 UNL1111111111 0.2562 58 H 0.2930 4.9903 0.0399 H 1 UNL1111111111 0.2593 59 H -2.8901 1.6033 -2.0585 H 1 UNL1111111111 0.1753 60 H -4.1947 3.0936 1.7656 H 1 UNL1111111111 0.1466 61 H -4.0836 -0.5604 -1.6182 H 1 UNL1111111111 0.1768 62 H -5.3762 0.9567 2.2094 H 1 UNL1111111111 0.1571 63 H 8.1672 1.9709 -0.2313 H 1 UNL1111111111 0.2932 64 H 6.8523 2.7576 0.4343 H 1 UNL1111111111 0.2893 65 H 8.0699 -0.5395 -0.2280 H 1 UNL1111111111 0.2816 66 H 6.6026 -1.1163 -0.7901 H 1 UNL1111111111 0.2999 67 H -5.9656 -1.1301 1.2864 H 1 UNL1111111111 0.3268 @BOND 1 1 17 2 2 2 20 2 3 3 23 2 4 4 32 1 5 4 67 1 6 5 13 1 7 5 17 am 8 5 40 1 9 6 14 1 10 6 23 am 11 6 46 1 12 7 20 am 13 7 55 1 14 7 56 1 15 8 22 1 16 8 57 1 17 8 58 1 18 9 24 1 19 9 31 2 20 10 31 1 21 10 63 1 22 10 64 1 23 11 31 1 24 11 65 1 25 11 66 1 26 12 13 1 27 12 15 1 28 12 18 1 29 12 33 1 30 13 20 1 31 13 34 1 32 14 16 1 33 14 17 1 34 14 35 1 35 15 21 1 36 15 36 1 37 15 37 1 38 16 19 1 39 16 38 1 40 16 39 1 41 18 41 1 42 18 42 1 43 18 43 1 44 19 24 1 45 19 44 1 46 19 45 1 47 21 47 1 48 21 48 1 49 21 49 1 50 22 23 1 51 22 25 1 52 22 50 1 53 24 51 1 54 24 52 1 55 25 26 1 56 25 53 1 57 25 54 1 58 26 27 ar 59 26 28 ar 60 27 29 ar 61 27 59 1 62 28 30 ar 63 28 60 1 64 29 32 ar 65 29 61 1 66 30 32 ar 67 30 62 1