@MOLECULE n-{[(2s,3s)-3-(benzylcarbamoyl)-2-oxiranyl]carbonyl}-l-isoleucyl-l-proline 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.8205 -0.6137 -0.8028 N.am 0 UNK0 -0.6011 2 C 5.1508 -0.0096 -0.6215 C.3 0 UNK0 -0.0690 3 C 5.0001 1.4008 -0.1247 C.ar 0 UNK0 -0.0480 4 C 4.7382 2.4296 -1.0311 C.ar 0 UNK0 -0.1522 5 C 4.5964 3.7380 -0.5751 C.ar 0 UNK0 -0.1461 6 C 4.7167 4.0204 0.7847 C.ar 0 UNK0 -0.1405 7 C 4.9769 2.9924 1.6895 C.ar 0 UNK0 -0.1480 8 C 5.1171 1.6822 1.2366 C.ar 0 UNK0 -0.1480 9 C 2.3301 -2.4955 -1.1714 C.3 0 UNK0 -0.1026 10 O 2.1460 -3.8271 -0.6978 O.3 0 UNK0 -0.2066 11 C 1.5480 -2.7810 0.0621 C.3 0 UNK0 -0.1104 12 C 0.0405 -2.7570 0.0610 C.2 0 UNK0 0.5652 13 O -0.6485 -3.7494 -0.0106 O.2 0 UNK0 -0.4893 14 N -0.4989 -1.5005 0.2311 N.am 1 ILE1 -0.5855 15 CA -1.9405 -1.3295 0.3961 C.3 1 ILE1 -0.0023 16 C -2.3509 -0.1225 -0.4564 C.2 1 ILE1 0.5506 17 O -1.5379 0.6999 -0.8395 O.2 1 ILE1 -0.5408 18 CB -2.3140 -1.0640 1.8861 C.3 1 ILE1 -0.1039 19 CG1 -1.5991 0.1797 2.4419 C.3 1 ILE1 -0.2684 20 CG2 -1.9866 -2.3074 2.7152 C.3 1 ILE1 -0.4423 21 CD1 -2.2713 0.6802 3.7200 C.3 1 ILE1 -0.4327 22 N -3.6671 0.0155 -0.8487 N.am 2 PRO2 -0.5038 23 CA -4.0911 1.2738 -1.4758 C.3 2 PRO2 0.0399 24 C -3.6515 2.4688 -0.6366 C.2 2 PRO2 0.6117 25 O -3.6585 3.5791 -1.4184 O.3 2 PRO2 -0.5640 26 CB -5.6324 1.2338 -1.5520 C.3 2 PRO2 -0.2772 27 CG -6.0585 -0.1460 -1.0199 C.3 2 PRO2 -0.2727 28 CD -4.8123 -0.7576 -0.3456 C.3 2 PRO2 -0.0580 29 OXT -3.3711 2.5216 0.5276 O.2 2 PRO2 -0.4866 30 C 3.7382 -1.9678 -1.0419 C.2 0 UNK0 0.5523 31 O 4.7297 -2.6545 -1.1374 O.2 0 UNK0 -0.4807 32 H 3.0188 -0.0131 -0.7338 H 0 UNK0 0.3198 33 H 5.7504 -0.6376 0.0834 H 0 UNK0 0.1632 34 H 5.7097 -0.0427 -1.5890 H 0 UNK0 0.1560 35 H 4.6448 2.2105 -2.0941 H 0 UNK0 0.1571 36 H 4.3907 4.5411 -1.2816 H 0 UNK0 0.1527 37 H 4.6077 5.0436 1.1398 H 0 UNK0 0.1516 38 H 5.0701 3.2131 2.7514 H 0 UNK0 0.1517 39 H 5.3183 0.8806 1.9458 H 0 UNK0 0.1560 40 H 1.8449 -2.2749 -2.1297 H 0 UNK0 0.1870 41 H 1.9875 -2.6288 1.0577 H 0 UNK0 0.1845 42 H 0.0525 -0.6529 0.2319 H 1 ILE1 0.3329 43 HA -2.4683 -2.2601 0.0416 H 1 ILE1 0.1857 44 HB -3.4162 -0.8850 1.9329 H 1 ILE1 0.1342 45 HG11 -1.6080 0.9978 1.6885 H 1 ILE1 0.1607 46 HG12 -0.5340 -0.0436 2.6353 H 1 ILE1 0.1412 47 HG21 -0.9088 -2.5122 2.7302 H 1 ILE1 0.1539 48 HG22 -2.3086 -2.1855 3.7552 H 1 ILE1 0.1466 49 HG23 -2.4743 -3.2051 2.3173 H 1 ILE1 0.1517 50 HD11 -1.7700 1.5791 4.0981 H 1 ILE1 0.1448 51 HD12 -3.3185 0.9508 3.5408 H 1 ILE1 0.1442 52 HD13 -2.2487 -0.0722 4.5147 H 1 ILE1 0.1395 53 HA -3.6178 1.3485 -2.4939 H 2 PRO2 0.1888 54 H -3.3207 4.3879 -0.9612 H 2 PRO2 0.3590 55 HB1 -5.9774 1.3907 -2.5889 H 2 PRO2 0.1568 56 HB2 -6.0902 2.0472 -0.9601 H 2 PRO2 0.1559 57 HG1 -6.4145 -0.7885 -1.8444 H 2 PRO2 0.1502 58 HG2 -6.8967 -0.0634 -0.3075 H 2 PRO2 0.1481 59 HD1 -4.6846 -1.8282 -0.6161 H 2 PRO2 0.1482 60 HD2 -4.8898 -0.6887 0.7632 H 2 PRO2 0.1390 @BOND 1 1 2 1 2 1 30 am 3 1 32 1 4 2 3 1 5 2 33 1 6 2 34 1 7 3 4 ar 8 3 8 ar 9 4 5 ar 10 4 35 1 11 5 6 ar 12 5 36 1 13 6 7 ar 14 6 37 1 15 7 8 ar 16 7 38 1 17 8 39 1 18 9 10 1 19 9 11 1 20 9 30 1 21 9 40 1 22 10 11 1 23 11 12 1 24 11 41 1 25 12 13 2 26 12 14 am 27 14 15 1 28 14 42 1 29 15 16 1 30 15 18 1 31 15 43 1 32 16 17 2 33 16 22 am 34 18 19 1 35 18 20 1 36 18 44 1 37 19 21 1 38 19 45 1 39 19 46 1 40 20 47 1 41 20 48 1 42 20 49 1 43 21 50 1 44 21 51 1 45 21 52 1 46 22 23 1 47 22 28 1 48 23 24 1 49 23 26 1 50 23 53 1 51 24 25 1 52 24 29 2 53 25 54 1 54 26 27 1 55 26 55 1 56 26 56 1 57 27 28 1 58 27 57 1 59 27 58 1 60 28 59 1 61 28 60 1 62 30 31 2