@MOLECULE n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-phenylalanine 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2862 -0.5044 2.0604 O.2 1 UNL1111111111 -0.5231 2 O 1.1501 -2.9466 -0.9851 O.3 1 UNL1111111111 -0.5558 3 O 0.8669 4.3427 0.5146 O.2 1 UNL1111111111 -0.4596 4 OXT -0.2551 -4.5827 -0.4170 O.2 1 UNL1111111111 -0.4896 5 O -0.5646 4.6819 -1.7032 O.3 1 UNL1111111111 -0.2897 6 N -0.2062 -0.9769 -0.1548 N.am 1 UNL1111111111 -0.5941 7 N -0.5921 3.4617 -1.0137 N.am 1 UNL1111111111 -0.4213 8 C 0.7416 1.1417 0.6090 C.3 1 UNL1111111111 -0.1560 9 C 2.1100 1.2151 1.3019 C.3 1 UNL1111111111 -0.2934 10 C -0.1904 2.2676 1.0938 C.3 1 UNL1111111111 -0.3662 11 CA -0.8892 -2.2519 -0.0036 C.3 1 UNL1111111111 0.0388 12 C 0.0658 -0.1831 0.9465 C.2 0 ACE0 0.5827 13 CB -2.1664 -2.3047 -0.8751 C.3 1 UNL1 -0.3175 14 C 3.1155 0.3573 0.5985 C.ar 1 UNL1 -0.0020 15 CG -3.1460 -1.2561 -0.4527 C.ar 1 UNL1 0.0220 16 C 0.0535 3.4966 0.2461 C.2 1 UNL1 0.5467 17 C -0.0043 -3.4098 -0.4558 C.2 1 UNL1 0.5942 18 C 3.3095 -0.9660 0.9995 C.ar 1 UNL1 -0.1630 19 C 3.8680 0.8827 -0.4540 C.ar 1 UNL1 -0.1710 20 CD1 -4.0964 -1.5415 0.5290 C.ar 1 UNL1 -0.1628 21 CD2 -3.1122 0.0075 -1.0475 C.ar 1 UNL1 -0.1661 22 C 4.2752 -1.7493 0.3730 C.ar 1 UNL1 -0.1408 23 C 4.8304 0.0960 -1.0821 C.ar 1 UNL1 -0.1418 24 C 5.0396 -1.2174 -0.6645 C.ar 1 UNL1 -0.1588 25 CE1 -5.0152 -0.5662 0.9094 C.ar 1 UNL1 -0.1355 26 CE2 -4.0289 0.9816 -0.6612 C.ar 1 UNL1 -0.1549 27 CZ -4.9810 0.6943 0.3153 C.ar 1 UNL1 -0.1545 28 H 0.9048 1.2307 -0.4978 H 1 UNL1 0.1677 29 H 2.0132 0.9167 2.3688 H 1 UNL1 0.1732 30 H 2.4505 2.2765 1.3303 H 1 UNL1 0.1766 31 H 0.0087 2.5053 2.1656 H 1 UNL1 0.1977 32 H -1.2506 1.9461 1.0751 H 1 UNL1 0.1740 33 HA -1.1685 -2.4022 1.0835 H 1 UNL1 0.2094 34 H 0.1987 -0.7857 -1.0593 H 1 UNL1 0.3244 35 HB1 -2.6171 -3.3199 -0.7991 H 1 UNL1 0.1761 36 HB2 -1.9055 -2.1842 -1.9464 H 1 UNL1 0.1615 37 H 2.7115 -1.3848 1.8089 H 1 UNL1 0.1607 38 H 3.7120 1.9117 -0.7727 H 1 UNL1 0.1554 39 HD1 -4.1203 -2.5234 0.9994 H 1 UNL1 0.1572 40 HD2 -2.3743 0.2276 -1.8151 H 1 UNL1 0.1508 41 H 4.4348 -2.7758 0.6978 H 1 UNL1 0.1487 42 H 5.4242 0.5070 -1.8957 H 1 UNL1 0.1472 43 H 5.8006 -1.8269 -1.1464 H 1 UNL1 0.1475 44 H -1.5458 3.1378 -1.0849 H 1 UNL1 0.2968 45 HE1 -5.7582 -0.7890 1.6743 H 1 UNL1 0.1514 46 HE2 -4.0127 1.9623 -1.1310 H 1 UNL1 0.1436 47 HZ -5.6995 1.4545 0.6141 H 1 UNL1 0.1512 48 H 1.7748 -3.6523 -1.2796 H 1 UNL1 0.3600 49 H 0.2793 4.6169 -2.2561 H 1 UNL1 0.3021 @BOND 1 1 12 2 2 2 17 1 3 2 48 1 4 3 16 2 5 4 17 2 6 5 7 1 7 5 49 1 8 6 11 1 9 6 12 am 10 6 34 1 11 7 16 am 12 7 44 1 13 8 9 1 14 8 10 1 15 8 12 1 16 8 28 1 17 9 14 1 18 9 29 1 19 9 30 1 20 10 16 1 21 10 31 1 22 10 32 1 23 11 13 1 24 11 17 1 25 11 33 1 26 13 15 1 27 13 35 1 28 13 36 1 29 14 18 ar 30 14 19 ar 31 15 20 ar 32 15 21 ar 33 18 22 ar 34 18 37 1 35 19 23 ar 36 19 38 1 37 20 25 ar 38 20 39 1 39 21 26 ar 40 21 40 1 41 22 24 ar 42 22 41 1 43 23 24 ar 44 23 42 1 45 24 43 1 46 25 27 ar 47 25 45 1 48 26 27 ar 49 26 46 1 50 27 47 1