@MOLECULE 1-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-prolyl-n-[(2s)-2-(methylamino)propanoyl]-d-alaninamide 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2224 -1.3193 -0.3918 O.3 1 UNL1111111111 -0.4854 2 O -0.8232 1.5181 1.0829 O.2 1 UNL1111111111 -0.5126 3 O -3.5792 -1.8080 1.3982 O.2 1 UNL1111111111 -0.5644 4 O 1.3482 0.0551 -1.9325 O.2 1 UNL1111111111 -0.4239 5 O 3.5583 -1.1682 -1.0986 O.2 1 UNL1111111111 -0.3827 6 N -3.4640 0.2992 0.5462 N.am 1 UNL1111111111 -0.5012 7 N -0.5915 1.9044 -1.1329 N.am 1 UNL1111111111 -0.6047 8 N 2.7941 0.8553 -0.3389 N.am 1 UNL1111111111 -0.6826 9 N 4.4157 -0.4758 1.9336 N.3 1 UNL1111111111 -0.5153 10 C -2.8249 1.2990 -0.2996 C.3 1 UNL1111111111 0.0356 11 C -3.5417 2.6253 0.0721 C.3 1 UNL1111111111 -0.2738 12 C -4.0278 2.4237 1.5224 C.3 1 UNL1111111111 -0.2830 13 C -4.1331 0.8992 1.7223 C.3 1 UNL1111111111 -0.0404 14 C -1.3269 1.5151 -0.0168 C.2 1 UNL1111111111 0.5510 15 C -3.0962 -1.0354 0.5983 C.2 1 UNL1111111111 0.7463 16 C -1.8607 -2.7031 -0.6592 C.3 1 UNL1111111111 0.3900 17 C 0.8269 2.2086 -0.9634 C.3 1 UNL1111111111 0.0301 18 C -1.1877 -3.3044 0.5663 C.3 1 UNL1111111111 -0.5083 19 C -0.8805 -2.5122 -1.8173 C.3 1 UNL1111111111 -0.4891 20 C -3.1137 -3.4659 -1.0787 C.3 1 UNL1111111111 -0.5096 21 C 1.3043 3.1897 -2.0376 C.3 1 UNL1111111111 -0.4653 22 C 1.6428 0.9104 -1.1441 C.2 1 UNL1111111111 0.5514 23 C 4.8863 -0.0365 0.5995 C.3 1 UNL1111111111 -0.0218 24 C 3.7048 -0.2335 -0.3666 C.2 1 UNL1111111111 0.5563 25 C 6.0505 -0.9118 0.1320 C.3 1 UNL1111111111 -0.4427 26 C 5.3963 -0.1636 2.9887 C.3 1 UNL1111111111 -0.2711 27 H -2.9831 1.0070 -1.3690 H 1 UNL1111111111 0.1626 28 H -2.8749 3.4967 -0.0135 H 1 UNL1111111111 0.1497 29 H -4.3902 2.7995 -0.6100 H 1 UNL1111111111 0.1503 30 H -4.9876 2.9280 1.6977 H 1 UNL1111111111 0.1432 31 H -3.3038 2.8489 2.2403 H 1 UNL1111111111 0.1537 32 H -3.6554 0.5685 2.6708 H 1 UNL1111111111 0.1501 33 H -5.1838 0.5417 1.7390 H 1 UNL1111111111 0.1484 34 H -0.8989 1.6938 -2.0717 H 1 UNL1111111111 0.3210 35 H 0.9740 2.6443 0.0641 H 1 UNL1111111111 0.1753 36 H -0.3940 -2.6470 0.9459 H 1 UNL1111111111 0.1670 37 H -0.7349 -4.2728 0.3373 H 1 UNL1111111111 0.1569 38 H -1.9039 -3.4502 1.3898 H 1 UNL1111111111 0.1792 39 H -0.5065 -3.4743 -2.1808 H 1 UNL1111111111 0.1585 40 H -1.3403 -1.9813 -2.6571 H 1 UNL1111111111 0.1551 41 H -0.0026 -1.9210 -1.5089 H 1 UNL1111111111 0.1834 42 H -3.7863 -3.6288 -0.2226 H 1 UNL1111111111 0.1756 43 H -2.8691 -4.4462 -1.4917 H 1 UNL1111111111 0.1545 44 H -3.6835 -2.9043 -1.8296 H 1 UNL1111111111 0.1556 45 H 1.1571 2.7894 -3.0509 H 1 UNL1111111111 0.1657 46 H 0.7553 4.1369 -1.9779 H 1 UNL1111111111 0.1630 47 H 2.3705 3.4242 -1.9298 H 1 UNL1111111111 0.1570 48 H 2.9437 1.5991 0.3357 H 1 UNL1111111111 0.3104 49 H 5.2120 1.0359 0.5803 H 1 UNL1111111111 0.1216 50 H 5.8237 -1.9806 0.2798 H 1 UNL1111111111 0.1815 51 H 6.2529 -0.7728 -0.9370 H 1 UNL1111111111 0.1554 52 H 6.9690 -0.6928 0.6878 H 1 UNL1111111111 0.1452 53 H 3.5021 -0.0786 2.1481 H 1 UNL1111111111 0.2600 54 H 4.9555 -0.4057 3.9724 H 1 UNL1111111111 0.1502 55 H 6.2784 -0.8174 2.8649 H 1 UNL1111111111 0.1530 56 H 5.7400 0.8809 3.0042 H 1 UNL1111111111 0.1143 @BOND 1 1 15 1 2 1 16 1 3 2 14 2 4 3 15 2 5 4 22 2 6 5 24 2 7 6 10 1 8 6 13 1 9 6 15 am 10 7 14 am 11 7 17 1 12 7 34 1 13 8 22 am 14 8 24 am 15 8 48 1 16 9 23 1 17 9 26 1 18 9 53 1 19 10 11 1 20 10 14 1 21 10 27 1 22 11 12 1 23 11 28 1 24 11 29 1 25 12 13 1 26 12 30 1 27 12 31 1 28 13 32 1 29 13 33 1 30 16 18 1 31 16 19 1 32 16 20 1 33 17 21 1 34 17 22 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1 42 20 42 1 43 20 43 1 44 20 44 1 45 21 45 1 46 21 46 1 47 21 47 1 48 23 24 1 49 23 25 1 50 23 49 1 51 25 50 1 52 25 51 1 53 25 52 1 54 26 54 1 55 26 55 1 56 26 56 1