@MOLECULE n-[(2s)-5-[(diaminomethylene)amino]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]-1-(2-naphthyl)-l-prolinamide 72 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9176 2.7751 1.0077 O.2 1 UNL1111111111 -0.3865 2 O 1.4830 1.5851 1.4976 O.2 1 UNL1111111111 -0.4223 3 O 5.8408 0.2450 1.0007 O.3 1 UNL1111111111 -0.4714 4 O 5.1583 0.3423 -1.1886 O.2 1 UNL1111111111 -0.5929 5 N -3.2448 2.5720 -0.7568 N.pl3 1 UNL1111111111 -0.4492 6 N 0.2692 1.4462 -0.4474 N.am 1 UNL1111111111 -0.6706 7 N 3.6606 0.3300 0.5453 N.am 1 UNL1111111111 -0.6012 8 N -0.0721 -3.1766 -0.8741 N.pl3 1 UNL1111111111 -0.5750 9 N -1.6803 -4.0221 -2.3335 N.pl3 1 UNL1111111111 -0.6257 10 N -0.2420 -5.5748 -1.2626 N.pl3 1 UNL1111111111 -0.6762 11 C -1.8713 2.3844 -1.2049 C.3 1 UNL1111111111 0.0146 12 C -1.5198 3.6857 -1.9649 C.3 1 UNL1111111111 -0.2810 13 C -2.4328 4.7630 -1.3555 C.3 1 UNL1111111111 -0.2837 14 C -3.6018 4.0013 -0.6959 C.3 1 UNL1111111111 -0.0558 15 C -3.9622 1.5952 -0.0841 C.ar 1 UNL1111111111 0.2760 16 C -0.8428 2.2341 -0.0562 C.2 1 UNL1111111111 0.5344 17 C -3.4504 0.3153 0.0912 C.ar 1 UNL1111111111 -0.3471 18 C -5.3087 1.8782 0.3257 C.ar 1 UNL1111111111 -0.2585 19 C 2.5145 0.4223 -0.3591 C.3 1 UNL1111111111 0.0157 20 C -4.2587 -0.7115 0.6304 C.ar 1 UNL1111111111 0.0947 21 C 1.3922 1.1985 0.3648 C.2 1 UNL1111111111 0.5614 22 C -6.0936 0.8837 0.8408 C.ar 1 UNL1111111111 -0.0761 23 C -5.5943 -0.4389 1.0005 C.ar 1 UNL1111111111 -0.0920 24 C 2.0330 -0.9753 -0.7936 C.3 1 UNL1111111111 -0.2943 25 C 1.4578 -1.7856 0.3693 C.3 1 UNL1111111111 -0.2523 26 C -3.7471 -2.0304 0.8085 C.ar 1 UNL1111111111 -0.1892 27 C -6.4015 -1.4799 1.5299 C.ar 1 UNL1111111111 -0.1164 28 C 1.1374 -3.2307 -0.0720 C.3 1 UNL1111111111 -0.0824 29 C -4.5449 -3.0162 1.3279 C.ar 1 UNL1111111111 -0.1222 30 C 7.2517 0.2095 0.6708 C.3 1 UNL1111111111 0.3848 31 C -5.8887 -2.7423 1.6873 C.ar 1 UNL1111111111 -0.1892 32 C 4.9275 0.3138 0.0034 C.2 1 UNL1111111111 0.7479 33 C 7.6537 1.4991 -0.0346 C.3 1 UNL1111111111 -0.5122 34 C 7.8524 0.1123 2.0774 C.3 1 UNL1111111111 -0.4828 35 C 7.5574 -1.0195 -0.1772 C.3 1 UNL1111111111 -0.5148 36 C -0.5900 -4.2195 -1.4405 C.cat 1 UNL1111111111 0.5085 37 H -1.8444 1.4905 -1.8807 H 1 UNL1111111111 0.1595 38 H -1.7256 3.5620 -3.0426 H 1 UNL1111111111 0.1503 39 H -0.4544 3.9534 -1.8776 H 1 UNL1111111111 0.1559 40 H -2.7871 5.4733 -2.1155 H 1 UNL1111111111 0.1443 41 H -1.8924 5.3611 -0.5993 H 1 UNL1111111111 0.1567 42 H -3.7582 4.3404 0.3513 H 1 UNL1111111111 0.1447 43 H -4.5492 4.1494 -1.2578 H 1 UNL1111111111 0.1384 44 H -2.4245 0.0752 -0.1631 H 1 UNL1111111111 0.1643 45 H 0.2101 0.9428 -1.3308 H 1 UNL1111111111 0.3177 46 H -5.7017 2.8840 0.2175 H 1 UNL1111111111 0.1577 47 H 2.8288 1.0008 -1.2802 H 1 UNL1111111111 0.1793 48 H -7.1171 1.0942 1.1446 H 1 UNL1111111111 0.1492 49 H 1.2814 -0.8996 -1.6050 H 1 UNL1111111111 0.1552 50 H 2.8902 -1.5163 -1.2487 H 1 UNL1111111111 0.1613 51 H 2.1723 -1.8146 1.2126 H 1 UNL1111111111 0.1423 52 H 0.5311 -1.3108 0.7555 H 1 UNL1111111111 0.1669 53 H 3.4970 0.3657 1.5424 H 1 UNL1111111111 0.3453 54 H -2.7112 -2.2272 0.5325 H 1 UNL1111111111 0.1641 55 H -7.4291 -1.2560 1.8093 H 1 UNL1111111111 0.1448 56 H 1.9916 -3.6567 -0.6418 H 1 UNL1111111111 0.1190 57 H 0.9993 -3.8678 0.8307 H 1 UNL1111111111 0.1308 58 H -4.1592 -4.0233 1.4773 H 1 UNL1111111111 0.1441 59 H -6.4965 -3.5454 2.0942 H 1 UNL1111111111 0.1462 60 H 8.7392 1.5527 -0.1704 H 1 UNL1111111111 0.1556 61 H 7.3360 2.3853 0.5261 H 1 UNL1111111111 0.1615 62 H 7.1944 1.5653 -1.0334 H 1 UNL1111111111 0.1806 63 H 8.9447 0.0953 2.0369 H 1 UNL1111111111 0.1553 64 H 7.5468 0.9641 2.6986 H 1 UNL1111111111 0.1644 65 H 7.5118 -0.7948 2.5925 H 1 UNL1111111111 0.1609 66 H 8.6332 -1.1286 -0.3445 H 1 UNL1111111111 0.1561 67 H 7.0769 -0.9491 -1.1654 H 1 UNL1111111111 0.1832 68 H 7.1898 -1.9365 0.2936 H 1 UNL1111111111 0.1577 69 H -2.4958 -4.5784 -2.1332 H 1 UNL1111111111 0.2842 70 H -1.9230 -3.0430 -2.4493 H 1 UNL1111111111 0.2983 71 H -0.5463 -6.2343 -1.9564 H 1 UNL1111111111 0.2966 72 H 0.6752 -5.7650 -0.9082 H 1 UNL1111111111 0.2906 @BOND 1 1 16 2 2 2 21 2 3 3 30 1 4 3 32 1 5 4 32 2 6 5 11 1 7 5 14 1 8 5 15 1 9 6 16 am 10 6 21 am 11 6 45 1 12 7 19 1 13 7 32 am 14 7 53 1 15 8 28 1 16 8 36 2 17 9 36 1 18 9 69 1 19 9 70 1 20 10 36 1 21 10 71 1 22 10 72 1 23 11 12 1 24 11 16 1 25 11 37 1 26 12 13 1 27 12 38 1 28 12 39 1 29 13 14 1 30 13 40 1 31 13 41 1 32 14 42 1 33 14 43 1 34 15 17 ar 35 15 18 ar 36 17 20 ar 37 17 44 1 38 18 22 ar 39 18 46 1 40 19 21 1 41 19 24 1 42 19 47 1 43 20 23 ar 44 20 26 ar 45 22 23 ar 46 22 48 1 47 23 27 ar 48 24 25 1 49 24 49 1 50 24 50 1 51 25 28 1 52 25 51 1 53 25 52 1 54 26 29 ar 55 26 54 1 56 27 31 ar 57 27 55 1 58 28 56 1 59 28 57 1 60 29 31 ar 61 29 58 1 62 30 33 1 63 30 34 1 64 30 35 1 65 31 59 1 66 33 60 1 67 33 61 1 68 33 62 1 69 34 63 1 70 34 64 1 71 34 65 1 72 35 66 1 73 35 67 1 74 35 68 1