@MOLECULE ethyl (2S)-4-[amino(isobutyl)amino]-2-hydroxy-4-oxo-butanoate 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.3855 -1.5826 0.1849 O.2 1 UNL111111111 -0.5153 2 C 2.8813 -0.5944 -0.2832 C.2 1 UNL111111111 0.5458 3 O 3.5289 0.5636 -0.5036 O.3 1 UNL111111111 -0.4158 4 C 4.9020 0.6679 -0.1106 C.3 1 UNL111111111 0.0023 5 C 4.9541 1.5224 1.1456 C.3 1 UNL111111111 -0.4752 6 C 1.4257 -0.4641 -0.7327 C.3 1 UNL111111111 0.1050 7 O 1.0778 -1.6343 -1.4164 O.3 1 UNL111111111 -0.5110 8 C 0.5472 -0.2522 0.5031 C.3 1 UNL111111111 -0.3940 9 C -0.7186 0.4718 0.1136 C.2 1 UNL111111111 0.6168 10 O -0.7124 1.4373 -0.6210 O.2 1 UNL111111111 -0.5294 11 N -1.9587 -0.0320 0.5405 N.am 1 UNL111111111 -0.3844 12 N -1.9031 -0.9089 1.6498 N.3 1 UNL111111111 -0.4426 13 C -3.1660 0.8056 0.3927 C.3 1 UNL111111111 -0.1290 14 C -4.2654 0.0236 -0.3654 C.3 1 UNL111111111 -0.0800 15 C -5.1388 -0.7933 0.5912 C.3 1 UNL111111111 -0.4575 16 C -5.1361 1.0108 -1.1490 C.3 1 UNL111111111 -0.4557 17 H 5.3539 -0.3307 0.0305 H 1 UNL111111111 0.1455 18 H 5.3625 1.1677 -0.9840 H 1 UNL111111111 0.1387 19 H 4.4762 1.0197 1.9963 H 1 UNL111111111 0.1572 20 H 5.9890 1.7476 1.4296 H 1 UNL111111111 0.1531 21 H 4.4325 2.4793 0.9963 H 1 UNL111111111 0.1629 22 H 1.2890 0.3372 -1.5061 H 1 UNL111111111 0.2028 23 H 1.2548 -2.4358 -0.8689 H 1 UNL111111111 0.3269 24 H 0.3366 -1.2288 0.9954 H 1 UNL111111111 0.2042 25 H 1.0665 0.3553 1.2759 H 1 UNL111111111 0.1840 26 H -2.3982 -0.5149 2.4495 H 1 UNL111111111 0.2405 27 H -2.3748 -1.7752 1.3798 H 1 UNL111111111 0.2562 28 H -3.5368 1.1671 1.3730 H 1 UNL111111111 0.1285 29 H -2.8891 1.7218 -0.1898 H 1 UNL111111111 0.1848 30 H -3.7693 -0.6711 -1.0903 H 1 UNL111111111 0.1561 31 H -5.6918 -0.1521 1.2865 H 1 UNL111111111 0.1457 32 H -5.8828 -1.3765 0.0327 H 1 UNL111111111 0.1525 33 H -4.5535 -1.5044 1.1787 H 1 UNL111111111 0.1304 34 H -4.5444 1.5644 -1.8889 H 1 UNL111111111 0.1541 35 H -5.9295 0.4885 -1.6968 H 1 UNL111111111 0.1507 36 H -5.6181 1.7419 -0.4917 H 1 UNL111111111 0.1452 @BOND 1 1 2 2 2 2 3 1 3 2 6 1 4 3 4 1 5 4 5 1 6 4 17 1 7 4 18 1 8 5 19 1 9 5 20 1 10 5 21 1 11 6 7 1 12 6 8 1 13 6 22 1 14 7 23 1 15 8 9 1 16 8 24 1 17 8 25 1 18 9 10 2 19 9 11 am 20 11 12 1 21 11 13 1 22 12 26 1 23 12 27 1 24 13 14 1 25 13 28 1 26 13 29 1 27 14 15 1 28 14 16 1 29 14 30 1 30 15 31 1 31 15 32 1 32 15 33 1 33 16 34 1 34 16 35 1 35 16 36 1