@MOLECULE s-benzyl-n-(4-biphenylylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)tyrosinamide 115 119 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4570 0.9304 -2.7595 C.3 1 UNL111111111 -0.3729 2 C -3.4097 1.1359 -1.6817 C.2 1 UNL111111111 0.6081 3 C -5.7657 1.4758 -2.2764 C.ar 1 UNL111111111 0.0303 4 C -6.4644 0.8188 -1.2613 C.ar 1 UNL111111111 -0.1560 5 C -7.6732 1.3312 -0.8024 C.ar 1 UNL111111111 -0.1377 6 C -11.9126 4.0967 -0.0097 C.ar 1 UNL111111111 -0.1539 7 C -9.6203 4.4250 -0.6919 C.ar 1 UNL111111111 -0.1538 8 C -9.4751 3.0469 -0.8860 C.ar 1 UNL111111111 -0.0073 9 C -10.8362 4.9466 -0.2596 C.ar 1 UNL111111111 -0.1420 10 C -10.5566 2.1974 -0.6315 C.ar 1 UNL111111111 -0.1575 11 C -11.7696 2.7226 -0.1936 C.ar 1 UNL111111111 -0.1449 12 C -1.8714 -0.9535 0.8267 C.3 1 UNL111111111 -0.3650 13 C -4.1246 -2.4159 1.7668 C.3 1 UNL111111111 -0.3540 14 C -6.5912 -2.2420 1.3887 C.ar 1 UNL111111111 -0.1616 15 C -7.0582 -2.1475 4.1356 C.ar 1 UNL111111111 -0.1392 16 N 0.7955 -0.1052 -0.2702 N.am 1 UNL111111111 -0.5962 17 C 2.1121 -0.4062 -0.8436 C.3 1 UNL111111111 0.0251 18 C 2.4117 -1.9211 -0.7754 C.3 1 UNL111111111 -0.2965 19 C 1.6049 -2.6922 -1.8208 C.3 1 UNL111111111 -0.2832 20 C 2.1821 -4.1027 -2.0176 C.3 1 UNL111111111 -0.0864 21 C 1.8480 -6.1703 -3.3522 C.3 1 UNL111111111 0.3784 22 O -3.1670 2.2063 -1.1718 O.2 1 UNL111111111 -0.5103 23 C -8.1988 2.5012 -1.3610 C.ar 1 UNL111111111 -0.0254 24 C -7.4958 3.1553 -2.3773 C.ar 1 UNL111111111 -0.1479 25 C -6.2822 2.6480 -2.8309 C.ar 1 UNL111111111 -0.1537 26 N -2.7438 -0.0144 -1.2818 N.am 1 UNL111111111 -0.5907 27 C -1.6749 0.0747 -0.2969 C.3 1 UNL111111111 0.0248 28 C -0.3448 -0.2420 -1.0206 C.2 1 UNL111111111 0.5413 29 O -0.3195 -0.6326 -2.1700 O.2 1 UNL111111111 -0.5446 30 S -3.4980 -0.6885 1.6431 S.3 1 UNL111111111 0.0561 31 C -5.5169 -2.3037 2.2808 C.ar 1 UNL111111111 0.0087 32 C -5.7549 -2.2563 3.6573 C.ar 1 UNL111111111 -0.1631 33 C -7.8929 -2.1322 1.8717 C.ar 1 UNL111111111 -0.1367 34 C -8.1282 -2.0857 3.2447 C.ar 1 UNL111111111 -0.1536 35 N 1.4988 -4.7354 -3.1695 N.3 1 UNL111111111 -0.6451 36 N 1.0929 -6.7067 -4.5068 N.3 1 UNL111111111 -0.7187 37 N 3.2961 -6.2561 -3.6119 N.3 1 UNL111111111 -0.6621 38 C 3.1382 0.3707 0.0017 C.2 1 UNL111111111 0.5540 39 O 2.7905 1.1579 0.8614 O.2 1 UNL111111111 -0.5386 40 N 4.4780 0.1390 -0.2359 N.am 1 UNL111111111 -0.5839 41 C 5.4360 0.5710 0.7827 C.3 1 UNL111111111 0.0110 42 C 6.7702 0.8382 0.0629 C.2 1 UNL111111111 0.5508 43 O 7.2805 0.0025 -0.6543 O.2 1 UNL111111111 -0.5319 44 C 5.6916 -0.5375 1.8375 C.3 1 UNL111111111 -0.3090 45 C 4.4056 -0.9948 2.4517 C.ar 1 UNL111111111 -0.0727 46 C 3.6168 -0.0888 3.1770 C.ar 1 UNL111111111 -0.0657 47 C 3.9676 -2.3059 2.2707 C.ar 1 UNL111111111 -0.0955 48 C 2.3853 -0.4734 3.6848 C.ar 1 UNL111111111 -0.2392 49 C 2.7346 -2.7193 2.7764 C.ar 1 UNL111111111 -0.3192 50 C 1.9582 -1.7882 3.4631 C.ar 1 UNL111111111 0.2811 51 O 0.7229 -2.0793 3.9500 O.3 1 UNL111111111 -0.4723 52 C 11.0027 2.9712 0.2680 C.ar 1 UNL111111111 0.0052 53 C 11.2845 4.3163 0.0191 C.ar 1 UNL111111111 -0.1770 54 C 12.5019 4.6790 -0.5525 C.ar 1 UNL111111111 -0.1334 55 C 13.4415 3.7015 -0.8758 C.ar 1 UNL111111111 -0.1594 56 C 13.1616 2.3590 -0.6262 C.ar 1 UNL111111111 -0.1311 57 C 11.9446 1.9929 -0.0562 C.ar 1 UNL111111111 -0.1710 58 C 9.6887 2.5783 0.8665 C.3 1 UNL111111111 -0.3191 59 C 8.6533 2.3980 -0.2643 C.3 1 UNL111111111 -0.0552 60 N 7.3450 2.0605 0.3032 N.am 1 UNL111111111 -0.5881 61 H -4.1101 1.4525 -3.6797 H 1 UNL111111111 0.1810 62 H -4.5669 -0.1332 -3.0530 H 1 UNL111111111 0.1663 63 H -6.0528 -0.0833 -0.8109 H 1 UNL111111111 0.1585 64 H -8.2021 0.8297 0.0069 H 1 UNL111111111 0.1560 65 H -12.8616 4.5052 0.3288 H 1 UNL111111111 0.1462 66 H -8.7766 5.0902 -0.8719 H 1 UNL111111111 0.1582 67 H -10.9451 6.0195 -0.1142 H 1 UNL111111111 0.1487 68 H -10.4525 1.1248 -0.7839 H 1 UNL111111111 0.1535 69 H -12.6079 2.0580 0.0043 H 1 UNL111111111 0.1464 70 H -1.7919 -1.9825 0.4387 H 1 UNL111111111 0.1556 71 H -1.0809 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64 33 14 ar 65 33 89 1 66 34 15 ar 67 34 33 ar 68 34 90 1 69 35 20 1 70 35 21 1 71 35 91 1 72 36 92 1 73 36 93 1 74 37 21 1 75 37 94 1 76 37 115 1 77 38 39 2 78 38 40 am 79 40 41 1 80 40 95 1 81 41 44 1 82 41 96 1 83 42 41 1 84 42 60 am 85 43 42 2 86 44 45 1 87 44 97 1 88 44 98 1 89 45 47 ar 90 45 46 ar 91 46 48 ar 92 46 99 1 93 47 49 ar 94 47 100 1 95 48 50 ar 96 48 101 1 97 49 50 ar 98 49 102 1 99 50 51 1 100 51 103 1 101 52 53 ar 102 53 54 ar 103 53 104 1 104 54 105 1 105 55 54 ar 106 55 106 1 107 56 55 ar 108 56 107 1 109 57 52 ar 110 57 56 ar 111 57 108 1 112 58 52 1 113 58 59 1 114 58 109 1 115 58 110 1 116 59 60 1 117 59 111 1 118 59 112 1 119 60 113 1