@MOLECULE n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-(2-naphthyl)-l-alanyl-l-alaninamide 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.4584 -1.8633 -0.7852 C.2 1 UNL1111111111 0.5545 2 N -3.2948 -0.7766 -0.3517 N.am 1 UNL1111111111 -0.5823 3 O -6.1074 -1.8484 -1.8086 O.2 1 UNL1111111111 -0.5283 4 C -4.7446 -0.6127 -0.2181 C.3 1 UNL1111111111 0.0280 5 C -5.2055 0.6206 -0.9904 C.3 1 UNL1111111111 -0.4589 6 C -1.6139 5.3083 1.4892 C.3 1 UNL1111111111 -0.4573 7 C 0.4603 4.1874 2.3526 C.3 1 UNL1111111111 -0.4616 8 N -5.3555 -2.9998 -0.0181 N.am 1 UNL1111111111 -0.6836 9 O 2.7325 3.3678 0.0471 O.2 1 UNL1111111111 -0.5101 10 O -1.0143 0.6091 -1.4160 O.2 1 UNL1111111111 -0.5770 11 O -3.1028 -2.0403 1.5197 O.2 1 UNL1111111111 -0.5805 12 O 3.3895 5.3711 -1.5470 O.3 1 UNL1111111111 -0.2922 13 C 5.7162 -3.2738 -0.7547 C.ar 1 UNL1111111111 -0.1487 14 C 4.8322 -3.9441 -1.6380 C.ar 1 UNL1111111111 -0.1375 15 C 1.9514 -1.9170 1.9821 C.ar 1 UNL1111111111 -0.1780 16 C 5.2300 -2.6157 0.3450 C.ar 1 UNL1111111111 -0.1469 17 C 3.4821 -3.9397 -1.4024 C.ar 1 UNL1111111111 -0.1621 18 C 3.3016 -1.9269 1.7481 C.ar 1 UNL1111111111 -0.1332 19 C 1.5563 -3.2357 -0.0102 C.ar 1 UNL1111111111 -0.1812 20 C 0.8078 2.7193 -1.2502 C.3 1 UNL1111111111 -0.3537 21 C -0.4104 -2.4950 1.3270 C.3 1 UNL1111111111 -0.3070 22 C -0.9599 3.0733 0.5697 C.3 1 UNL1111111111 -0.2944 23 N 2.1403 4.7495 -1.6497 N.am 1 UNL1111111111 -0.4036 24 N -0.5224 -0.1191 0.6604 N.am 1 UNL1111111111 -0.5938 25 C 1.9990 3.5715 -0.8962 C.2 1 UNL1111111111 0.5454 26 C -0.5021 0.8355 -0.3334 C.2 1 UNL1111111111 0.5839 27 C -2.5726 -1.4552 0.5919 C.2 1 UNL1111111111 0.5499 28 C 1.0645 -2.5704 1.0860 C.ar 1 UNL1111111111 0.0122 29 C 3.8333 -2.5974 0.6122 C.ar 1 UNL1111111111 -0.0227 30 C 2.9528 -3.2621 -0.2689 C.ar 1 UNL1111111111 0.0056 31 C -0.4265 4.4078 1.1239 C.3 1 UNL1111111111 -0.0523 32 C 0.1504 2.1626 0.0199 C.3 1 UNL1111111111 -0.1679 33 C -1.0427 -1.4585 0.3811 C.3 1 UNL1111111111 0.0267 34 H -2.8292 -0.2800 -1.1128 H 1 UNL1111111111 0.3523 35 H -5.0105 -0.5109 0.8724 H 1 UNL1111111111 0.1702 36 H -6.2949 0.7463 -0.9097 H 1 UNL1111111111 0.1716 37 H -4.7286 1.5354 -0.6236 H 1 UNL1111111111 0.1521 38 H -4.9935 0.5279 -2.0669 H 1 UNL1111111111 0.1743 39 H -1.2700 6.2842 1.8504 H 1 UNL1111111111 0.1456 40 H -2.2619 5.4914 0.6257 H 1 UNL1111111111 0.1418 41 H -2.2274 4.8654 2.2807 H 1 UNL1111111111 0.1448 42 H 0.7540 5.1420 2.8036 H 1 UNL1111111111 0.1453 43 H -0.0491 3.6033 3.1244 H 1 UNL1111111111 0.1415 44 H 1.3906 3.6658 2.0885 H 1 UNL1111111111 0.1605 45 H -5.7719 -3.8559 -0.3199 H 1 UNL1111111111 0.3090 46 H -4.7515 -3.0263 0.7869 H 1 UNL1111111111 0.3325 47 H 3.5680 5.4334 -0.5546 H 1 UNL1111111111 0.3131 48 H 6.7838 -3.2923 -0.9671 H 1 UNL1111111111 0.1530 49 H 5.2462 -4.4598 -2.5030 H 1 UNL1111111111 0.1524 50 H 1.5463 -1.4160 2.8588 H 1 UNL1111111111 0.1519 51 H 5.9003 -2.0969 1.0283 H 1 UNL1111111111 0.1551 52 H 2.7951 -4.4509 -2.0745 H 1 UNL1111111111 0.1555 53 H 3.9896 -1.4222 2.4255 H 1 UNL1111111111 0.1555 54 H 0.8890 -3.7486 -0.7009 H 1 UNL1111111111 0.1593 55 H 0.0569 3.2612 -1.8619 H 1 UNL1111111111 0.1812 56 H 1.1549 1.8827 -1.9039 H 1 UNL1111111111 0.1948 57 H -0.8952 -3.4842 1.1674 H 1 UNL1111111111 0.1801 58 H -0.6532 -2.2564 2.3845 H 1 UNL1111111111 0.1746 59 H -1.5170 2.5451 1.3688 H 1 UNL1111111111 0.1468 60 H -1.7048 3.2749 -0.2265 H 1 UNL1111111111 0.1512 61 H 1.9054 4.8014 -2.6288 H 1 UNL1111111111 0.3076 62 H -0.0817 0.0242 1.5563 H 1 UNL1111111111 0.3246 63 H 0.1750 4.9184 0.3321 H 1 UNL1111111111 0.1394 64 H 0.9396 2.0177 0.8059 H 1 UNL1111111111 0.1875 65 H -0.8191 -1.7323 -0.6912 H 1 UNL1111111111 0.1837 @BOND 1 1 3 2 2 1 4 1 3 1 8 am 4 2 4 1 5 2 27 am 6 2 34 1 7 4 5 1 8 4 35 1 9 5 36 1 10 5 37 1 11 5 38 1 12 6 31 1 13 6 39 1 14 6 40 1 15 6 41 1 16 7 31 1 17 7 42 1 18 7 43 1 19 7 44 1 20 8 45 1 21 8 46 1 22 9 25 2 23 10 26 2 24 11 27 2 25 12 23 1 26 12 47 1 27 13 14 ar 28 13 16 ar 29 13 48 1 30 14 17 ar 31 14 49 1 32 15 18 ar 33 15 28 ar 34 15 50 1 35 16 29 ar 36 16 51 1 37 17 30 ar 38 17 52 1 39 18 29 ar 40 18 53 1 41 19 28 ar 42 19 30 ar 43 19 54 1 44 20 25 1 45 20 32 1 46 20 55 1 47 20 56 1 48 21 28 1 49 21 33 1 50 21 57 1 51 21 58 1 52 22 31 1 53 22 32 1 54 22 59 1 55 22 60 1 56 23 25 am 57 23 61 1 58 24 26 am 59 24 33 1 60 24 62 1 61 26 32 1 62 27 33 1 63 29 30 ar 64 31 63 1 65 32 64 1 66 33 65 1