@MOLECULE {1-[(3s)-4-{[(2s)-1-(benzylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.4379 -1.4149 -0.5358 N.am 1 UNL1111111111 -0.3417 2 N 4.1081 -2.2843 0.5308 N.3 1 UNL1111111111 -0.4482 3 C 5.8717 -1.5119 -0.8384 C.3 1 UNL1111111111 -0.1386 4 C 3.8579 -0.1157 -0.6427 C.2 1 UNL1111111111 0.5502 5 O 4.3387 0.6532 -1.4389 O.2 1 UNL1111111111 -0.4644 6 C 6.7222 -1.0184 0.3122 C.2 1 UNL1111111111 0.6210 7 O 6.3638 -0.6860 1.4121 O.2 1 UNL1111111111 -0.5203 8 O 8.0280 -1.0053 -0.0408 O.3 1 UNL1111111111 -0.5507 9 C 2.5738 0.1274 0.1079 C.3 1 UNL1111111111 -0.4257 10 C 2.1696 1.6090 0.0148 C.3 1 UNL1111111111 0.1004 11 C 0.7126 1.7256 0.4902 C.2 1 UNL1111111111 0.5183 12 O 0.4605 1.9800 1.6530 O.2 1 UNL1111111111 -0.5417 13 N -0.2752 1.5005 -0.4328 N.am 1 UNL1111111111 -0.5773 14 C -1.6796 1.5436 -0.0244 C.3 1 UNL1111111111 0.0287 15 C -2.3905 2.7595 -0.6262 C.3 1 UNL1111111111 -0.4682 16 C -2.3599 0.2786 -0.5848 C.2 1 UNL1111111111 0.5441 17 O -1.9865 -0.2481 -1.6140 O.2 1 UNL1111111111 -0.5433 18 N -3.4221 -0.2060 0.1348 N.am 1 UNL1111111111 -0.5883 19 C -4.2143 -1.3288 -0.3921 C.3 1 UNL1111111111 -0.0770 20 C -8.3518 -0.6755 0.5510 C.ar 1 UNL1111111111 -0.1418 21 C -7.8425 -0.2508 -0.6752 C.ar 1 UNL1111111111 -0.1455 22 C -6.5007 -0.4642 -0.9867 C.ar 1 UNL1111111111 -0.1452 23 C -5.6680 -1.1059 -0.0700 C.ar 1 UNL1111111111 -0.0472 24 C -6.1774 -1.5319 1.1575 C.ar 1 UNL1111111111 -0.1583 25 C -7.5184 -1.3163 1.4667 C.ar 1 UNL1111111111 -0.1458 26 O 2.9835 2.3848 0.8442 O.3 1 UNL1111111111 -0.5035 27 H 4.3811 -1.8859 1.4331 H 1 UNL1111111111 0.2586 28 H 3.1063 -2.4588 0.5122 H 1 UNL1111111111 0.2588 29 H 6.1243 -2.5813 -1.0637 H 1 UNL1111111111 0.2003 30 H 6.0888 -0.9259 -1.7704 H 1 UNL1111111111 0.2084 31 H 8.6288 -0.6839 0.6800 H 1 UNL1111111111 0.3615 32 H 1.7751 -0.5254 -0.3045 H 1 UNL1111111111 0.1855 33 H 2.6817 -0.1409 1.1817 H 1 UNL1111111111 0.1834 34 H 2.3507 2.0374 -1.0008 H 1 UNL1111111111 0.1863 35 H -0.0975 1.2534 -1.3983 H 1 UNL1111111111 0.3356 36 H -1.7400 1.5767 1.1003 H 1 UNL1111111111 0.1844 37 H -3.4424 2.8044 -0.3223 H 1 UNL1111111111 0.1564 38 H -1.9116 3.6934 -0.2990 H 1 UNL1111111111 0.1721 39 H -2.3636 2.7469 -1.7244 H 1 UNL1111111111 0.1653 40 H -3.7614 0.2343 0.9735 H 1 UNL1111111111 0.3170 41 H -4.0471 -1.4258 -1.4952 H 1 UNL1111111111 0.1773 42 H -3.8389 -2.2816 0.0526 H 1 UNL1111111111 0.1516 43 H -9.3998 -0.5083 0.7929 H 1 UNL1111111111 0.1522 44 H -8.4935 0.2484 -1.3913 H 1 UNL1111111111 0.1532 45 H -6.1046 -0.1296 -1.9444 H 1 UNL1111111111 0.1583 46 H -5.5303 -2.0372 1.8726 H 1 UNL1111111111 0.1544 47 H -7.9162 -1.6500 2.4237 H 1 UNL1111111111 0.1523 48 H 2.6438 2.3884 1.7755 H 1 UNL1111111111 0.3368 @BOND 1 1 2 1 2 1 3 1 3 1 4 am 4 2 27 1 5 2 28 1 6 3 6 1 7 3 29 1 8 3 30 1 9 4 5 2 10 4 9 1 11 6 7 2 12 6 8 1 13 8 31 1 14 9 10 1 15 9 32 1 16 9 33 1 17 10 11 1 18 10 26 1 19 10 34 1 20 11 12 2 21 11 13 am 22 13 14 1 23 13 35 1 24 14 15 1 25 14 16 1 26 14 36 1 27 15 37 1 28 15 38 1 29 15 39 1 30 16 17 2 31 16 18 am 32 18 19 1 33 18 40 1 34 19 23 1 35 19 41 1 36 19 42 1 37 20 21 ar 38 20 25 ar 39 20 43 1 40 21 22 ar 41 21 44 1 42 22 23 ar 43 22 45 1 44 23 24 ar 45 24 25 ar 46 24 46 1 47 25 47 1 48 26 48 1