@MOLECULE benzyl N-[(1R)-1-[(2S,4R)-2-[[(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl]carbamoyl]-4-(p-tolylmethoxy)pyrrolidine-1-carbonyl]-3-phenyl-propyl]carbamate 107 112 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.5065 3.2658 0.5953 C.3 1 UNL111111111 -0.3138 2 C 1.3799 1.5310 -0.9451 C.3 1 UNL111111111 -0.1269 3 C 7.3821 0.0066 1.0285 C.ar 1 UNL111111111 -0.1358 4 C 1.0776 -3.3879 -1.2154 C.2 1 UNL111111111 0.7177 5 C 6.1297 -2.4845 1.0209 C.ar 1 UNL111111111 -0.1775 6 C 7.3365 -2.3122 1.6952 C.ar 1 UNL111111111 -0.1390 7 C 0.7240 -0.3812 0.5516 C.2 1 UNL111111111 0.5416 8 C 5.5479 -1.4097 0.3465 C.ar 1 UNL111111111 0.0159 9 C 4.2421 -1.5859 -0.3662 C.3 1 UNL111111111 -0.2819 10 C 3.0992 -1.1117 0.5401 C.3 1 UNL111111111 -0.2827 11 C 1.7411 -1.2818 -0.1700 C.3 1 UNL111111111 0.0248 12 C -1.6262 1.9056 0.5170 C.2 1 UNL111111111 0.5491 13 C -3.7934 0.7685 0.6841 C.3 1 UNL111111111 0.0647 14 C -4.3629 -0.5883 1.1249 C.3 1 UNL111111111 -0.3129 15 C -3.7520 -1.7709 0.3589 C.3 1 UNL111111111 -0.2637 16 C 0.1821 -6.8250 -1.2847 C.ar 1 UNL111111111 -0.0456 17 C -0.8560 -7.6993 -1.6051 C.ar 1 UNL111111111 -0.1508 18 C -2.8662 -2.6157 1.2795 C.3 1 UNL111111111 -0.2913 19 O -2.1316 2.8095 -0.1197 O.2 1 UNL111111111 -0.5532 20 C -2.3379 -3.8603 0.5495 C.3 1 UNL111111111 -0.1082 21 O -4.7029 1.6838 2.7847 O.3 1 UNL111111111 -0.5041 22 C -4.5362 1.9367 1.4201 C.3 1 UNL111111111 0.1118 23 C -5.8640 2.1595 0.7722 C.ar 1 UNL111111111 0.2429 24 O -5.9409 3.2744 -0.0716 O.2 1 UNL111111111 -0.2229 25 C -7.2377 3.2601 -0.5433 C.ar 1 UNL111111111 0.0934 26 C -7.8372 4.1394 -1.4250 C.ar 1 UNL111111111 -0.1781 27 C -9.1721 3.8728 -1.7258 C.ar 1 UNL111111111 -0.1230 28 C -9.8559 2.7812 -1.1662 C.ar 1 UNL111111111 -0.1738 29 C -9.2426 1.8994 -0.2791 C.ar 1 UNL111111111 -0.1126 30 C -7.9108 2.1449 0.0336 C.ar 1 UNL111111111 0.0511 31 N -6.9824 1.4775 0.8621 N.ar 1 UNL111111111 -0.4136 32 N -2.3613 0.8514 0.9895 N.am 1 UNL111111111 -0.5793 33 C -0.1369 1.9098 0.9249 C.3 1 UNL111111111 0.0166 34 N 0.5906 0.9108 0.1279 N.am 1 UNL111111111 -0.4788 35 C 1.3160 3.0615 -0.6986 C.3 1 UNL111111111 0.1092 36 O 2.5991 3.5654 -0.3902 O.3 1 UNL111111111 -0.3947 37 C 3.4631 3.6976 -1.5162 C.3 1 UNL111111111 -0.0508 38 C 4.5184 4.6709 -1.0857 C.ar 1 UNL111111111 -0.0535 39 C 5.8628 4.4206 -1.3578 C.ar 1 UNL111111111 -0.1456 40 C 6.8309 5.3497 -0.9852 C.ar 1 UNL111111111 -0.1874 41 C 6.4611 6.5271 -0.3311 C.ar 1 UNL111111111 0.0489 42 C 7.4920 7.5350 0.0494 C.3 1 UNL111111111 -0.4561 43 C 5.1138 6.7654 -0.0445 C.ar 1 UNL111111111 -0.1919 44 C 4.1456 5.8402 -0.4210 C.ar 1 UNL111111111 -0.1195 45 O 0.0370 -0.8085 1.4665 O.2 1 UNL111111111 -0.5831 46 C 7.9640 -1.0678 1.6997 C.ar 1 UNL111111111 -0.1657 47 C 6.1766 -0.1625 0.3522 C.ar 1 UNL111111111 -0.1757 48 N 1.2827 -2.6640 -0.0627 N.am 1 UNL111111111 -0.5753 49 O 1.3932 -3.0663 -2.3389 O.2 1 UNL111111111 -0.5536 50 O 0.4938 -4.5770 -0.8809 O.3 1 UNL111111111 -0.4470 51 C 0.2902 -5.4965 -1.9658 C.3 1 UNL111111111 -0.0121 52 C 1.1279 -7.1769 -0.3201 C.ar 1 UNL111111111 -0.1355 53 C 1.0355 -8.4090 0.3226 C.ar 1 UNL111111111 -0.1433 54 C 0.0044 -9.2893 -0.0025 C.ar 1 UNL111111111 -0.1411 55 C -0.9389 -8.9347 -0.9657 C.ar 1 UNL111111111 -0.1421 56 N -1.3349 -4.5415 1.4092 N.3 1 UNL111111111 -0.6391 57 H -0.2526 4.0630 0.4694 H 1 UNL111111111 0.1872 58 H 1.1758 3.6033 1.4123 H 1 UNL111111111 0.1751 59 H 2.4360 1.1845 -0.9251 H 1 UNL111111111 0.1582 60 H 0.9386 1.2603 -1.9287 H 1 UNL111111111 0.1517 61 H 7.8691 0.9802 1.0350 H 1 UNL111111111 0.1501 62 H 5.6404 -3.4565 1.0229 H 1 UNL111111111 0.1547 63 H 7.7892 -3.1508 2.2208 H 1 UNL111111111 0.1486 64 H 4.2412 -1.0289 -1.3248 H 1 UNL111111111 0.1494 65 H 4.0807 -2.6469 -0.6546 H 1 UNL111111111 0.1650 66 H 3.1087 -1.6816 1.4929 H 1 UNL111111111 0.1705 67 H 3.2593 -0.0547 0.8335 H 1 UNL111111111 0.1597 68 H 1.8301 -1.0032 -1.2585 H 1 UNL111111111 0.1862 69 H -3.9359 0.9133 -0.4239 H 1 UNL111111111 0.1588 70 H -4.2155 -0.7221 2.2166 H 1 UNL111111111 0.1617 71 H -5.4648 -0.5818 0.9773 H 1 UNL111111111 0.1706 72 H -4.5591 -2.3996 -0.0645 H 1 UNL111111111 0.1419 73 H -3.1684 -1.4187 -0.5123 H 1 UNL111111111 0.1414 74 H -1.6015 -7.4215 -2.3473 H 1 UNL111111111 0.1526 75 H -2.0175 -2.0118 1.6597 H 1 UNL111111111 0.1497 76 H -3.4266 -2.9352 2.1804 H 1 UNL111111111 0.1543 77 H -3.1617 -4.5850 0.3692 H 1 UNL111111111 0.1414 78 H -1.9245 -3.5827 -0.4432 H 1 UNL111111111 0.1080 79 H -5.3779 0.9813 2.9424 H 1 UNL111111111 0.3276 80 H -3.9170 2.8762 1.4118 H 1 UNL111111111 0.2032 81 H -7.3022 4.9814 -1.8529 H 1 UNL111111111 0.1757 82 H -9.7031 4.5299 -2.4152 H 1 UNL111111111 0.1575 83 H -10.8995 2.6219 -1.4365 H 1 UNL111111111 0.1582 84 H -9.7728 1.0547 0.1543 H 1 UNL111111111 0.1717 85 H -1.9113 0.0456 1.4167 H 1 UNL111111111 0.3474 86 H -0.0547 1.6701 2.0195 H 1 UNL111111111 0.1780 87 H 0.8825 3.6043 -1.5614 H 1 UNL111111111 0.1341 88 H 3.8735 2.6980 -1.7519 H 1 UNL111111111 0.1275 89 H 2.9099 4.0813 -2.3956 H 1 UNL111111111 0.1297 90 H 6.1613 3.5030 -1.8608 H 1 UNL111111111 0.1505 91 H 7.8785 5.1557 -1.2045 H 1 UNL111111111 0.1536 92 H 7.5199 8.3586 -0.6809 H 1 UNL111111111 0.1625 93 H 7.2891 7.9809 1.0336 H 1 UNL111111111 0.1600 94 H 8.5034 7.1092 0.0939 H 1 UNL111111111 0.1557 95 H 4.8210 7.6760 0.4733 H 1 UNL111111111 0.1553 96 H 3.0949 6.0201 -0.1920 H 1 UNL111111111 0.1626 97 H 8.9054 -0.9348 2.2276 H 1 UNL111111111 0.1493 98 H 5.7234 0.6798 -0.1655 H 1 UNL111111111 0.1516 99 H 0.8637 -2.9527 0.8146 H 1 UNL111111111 0.3388 100 H 1.1426 -5.4531 -2.6738 H 1 UNL111111111 0.1605 101 H -0.6309 -5.1782 -2.4876 H 1 UNL111111111 0.1441 102 H 1.9310 -6.4851 -0.0676 H 1 UNL111111111 0.1611 103 H 1.7673 -8.6829 1.0802 H 1 UNL111111111 0.1517 104 H -0.0663 -10.2525 0.4991 H 1 UNL111111111 0.1498 105 H -1.7458 -9.6212 -1.2144 H 1 UNL111111111 0.1497 106 H -0.7826 -5.1887 0.8649 H 1 UNL111111111 0.2538 107 H -0.7089 -3.8663 1.8195 H 1 UNL111111111 0.2374 @BOND 1 1 33 1 2 1 35 1 3 1 57 1 4 1 58 1 5 2 34 1 6 2 35 1 7 2 59 1 8 2 60 1 9 3 46 ar 10 3 47 ar 11 3 61 1 12 4 48 am 13 4 49 2 14 4 50 1 15 5 6 ar 16 5 8 ar 17 5 62 1 18 6 46 ar 19 6 63 1 20 7 11 1 21 7 34 am 22 7 45 2 23 8 9 1 24 8 47 ar 25 9 10 1 26 9 64 1 27 9 65 1 28 10 11 1 29 10 66 1 30 10 67 1 31 11 48 1 32 11 68 1 33 12 19 2 34 12 32 am 35 12 33 1 36 13 14 1 37 13 22 1 38 13 32 1 39 13 69 1 40 14 15 1 41 14 70 1 42 14 71 1 43 15 18 1 44 15 72 1 45 15 73 1 46 16 17 ar 47 16 51 1 48 16 52 ar 49 17 55 ar 50 17 74 1 51 18 20 1 52 18 75 1 53 18 76 1 54 20 56 1 55 20 77 1 56 20 78 1 57 21 22 1 58 21 79 1 59 22 23 1 60 22 80 1 61 23 24 ar 62 23 31 ar 63 24 25 ar 64 25 26 ar 65 25 30 ar 66 26 27 ar 67 26 81 1 68 27 28 ar 69 27 82 1 70 28 29 ar 71 28 83 1 72 29 30 ar 73 29 84 1 74 30 31 ar 75 32 85 1 76 33 34 1 77 33 86 1 78 35 36 1 79 35 87 1 80 36 37 1 81 37 38 1 82 37 88 1 83 37 89 1 84 38 39 ar 85 38 44 ar 86 39 40 ar 87 39 90 1 88 40 41 ar 89 40 91 1 90 41 42 1 91 41 43 ar 92 42 92 1 93 42 93 1 94 42 94 1 95 43 44 ar 96 43 95 1 97 44 96 1 98 46 97 1 99 47 98 1 100 48 99 1 101 50 51 1 102 51 100 1 103 51 101 1 104 52 53 ar 105 52 102 1 106 53 54 ar 107 53 103 1 108 54 55 ar 109 54 104 1 110 55 105 1 111 56 106 1 112 56 107 1