@MOLECULE (1-{3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.5453 0.6656 0.4285 C.ar 1 UNL111111111 -0.1670 2 C 7.1603 -0.1848 -0.6074 C.ar 1 UNL111111111 -0.1708 3 N -3.4459 2.1155 0.4923 N.3 1 UNL111111111 -0.6981 4 C 5.8296 -0.2315 -1.0135 C.ar 1 UNL111111111 -0.3082 5 C 4.8774 0.5730 -0.3821 C.ar 1 UNL111111111 0.2051 6 C 5.2678 1.4410 0.6388 C.ar 1 UNL111111111 -0.3089 7 C 6.6005 1.4848 1.0436 C.ar 1 UNL111111111 -0.1633 8 C -0.9743 -1.4637 -0.1346 C.3 1 UNL111111111 -0.0272 9 C -1.6440 -0.0956 0.0883 C.3 1 UNL111111111 -0.6141 10 C -2.9106 0.0195 -0.7181 C.2 1 UNL111111111 0.4487 11 C 0.4750 -1.3367 0.3652 C.2 1 UNL111111111 0.0806 12 C -5.1015 1.1185 -0.8692 C.3 1 UNL111111111 -0.1907 13 C -5.8674 0.5412 0.3022 C.2 1 UNL111111111 0.3330 14 C 2.8150 -0.7523 -0.0943 C.3 1 UNL111111111 -0.0130 15 N -3.6649 1.2228 -0.5826 N.am 1 UNL111111111 -0.4268 16 N 1.4210 -0.9137 -0.5314 N.am 1 UNL111111111 -0.5427 17 O 0.7380 -1.5500 1.5330 O.2 1 UNL111111111 -0.2608 18 O -3.2542 -0.7682 -1.5642 O.2 1 UNL111111111 -0.2806 19 O -7.1626 0.3557 -0.0403 O.3 1 UNL111111111 -0.4399 20 O -5.4595 0.2802 1.4042 O.2 1 UNL111111111 -0.3202 21 O -1.6274 -2.4522 0.6048 O.3 1 UNL111111111 -0.3574 22 C 3.4384 0.4763 -0.7847 C.3 1 UNL111111111 -0.6392 23 H 8.5831 0.6909 0.7540 H 1 UNL111111111 0.1779 24 H 7.9006 -0.8170 -1.0947 H 1 UNL111111111 0.1883 25 H -3.6292 1.6671 1.3947 H 1 UNL111111111 0.3994 26 H -2.4843 2.4428 0.4538 H 1 UNL111111111 0.3650 27 H 5.5326 -0.8985 -1.8199 H 1 UNL111111111 0.2222 28 H 4.5325 2.0802 1.1235 H 1 UNL111111111 0.2192 29 H 6.9014 2.1560 1.8467 H 1 UNL111111111 0.1872 30 H -1.0711 -1.8225 -1.1865 H 1 UNL111111111 0.2253 31 H -0.9491 0.7281 -0.1742 H 1 UNL111111111 0.2754 32 H -1.8661 0.0084 1.1755 H 1 UNL111111111 0.2775 33 H -5.5013 2.1372 -1.1122 H 1 UNL111111111 0.2351 34 H -5.2448 0.4859 -1.7848 H 1 UNL111111111 0.2238 35 H 2.8525 -0.6346 1.0177 H 1 UNL111111111 0.2029 36 H 3.3929 -1.6752 -0.3309 H 1 UNL111111111 0.1465 37 H 1.2319 -0.8075 -1.5124 H 1 UNL111111111 0.3834 38 H -7.7197 -0.0203 0.6880 H 1 UNL111111111 0.3467 39 H -1.3241 -2.4483 1.5489 H 1 UNL111111111 0.3408 40 H 3.3464 0.3943 -1.8859 H 1 UNL111111111 0.2146 41 H 2.8765 1.3929 -0.5132 H 1 UNL111111111 0.2304 @BOND 1 1 2 ar 2 1 7 ar 3 1 23 1 4 2 4 ar 5 2 24 1 6 3 15 1 7 3 25 1 8 3 26 1 9 4 5 ar 10 4 27 1 11 5 6 ar 12 5 22 1 13 6 7 ar 14 6 28 1 15 7 29 1 16 8 9 1 17 8 11 1 18 8 21 1 19 8 30 1 20 9 10 1 21 9 31 1 22 9 32 1 23 10 15 am 24 10 18 2 25 11 16 am 26 11 17 2 27 12 13 1 28 12 15 1 29 12 33 1 30 12 34 1 31 13 19 1 32 13 20 2 33 14 16 1 34 14 22 1 35 14 35 1 36 14 36 1 37 16 37 1 38 19 38 1 39 21 39 1 40 22 40 1 41 22 41 1