@MOLECULE 4-[(2-acetamido-2-carboxylatoethyl)sulfanyl]-2-ammoniobutanoate 33 32 0 0 0 SMALL GASTEIGER @ATOM 1 SD 0.0978 -1.4378 -0.4293 S.3 1 MET1111111111 -0.0417 2 O 1.4038 1.9190 -1.3500 O.3 1 MET1111111111 -0.5426 3 O -3.6854 -0.4161 -1.6482 O.3 1 MET1111111111 -0.5804 4 OXT 0.0084 1.9894 0.3769 O.2 1 MET1111111111 -0.5346 5 OXT -5.0747 -0.0241 0.0476 O.2 1 MET1111111111 -0.4688 6 O 4.3763 -0.1718 1.2677 O.2 0 UNK0 -0.5397 7 N 2.9614 0.0654 -0.4571 N.am 1 MET1 -0.6112 8 N -2.8559 1.5077 1.2020 N.3 1 MET1 -0.6395 9 CB -2.1857 -0.8388 1.1628 C.3 1 MET1 -0.2758 10 CG -1.4938 -1.9252 0.3583 C.3 1 MET1 -0.3127 11 CA 1.9044 0.4590 0.4713 C.3 1 MET1 0.0378 12 CA -2.6429 0.3570 0.2971 C.3 1 MET1 -0.0076 13 CE 1.0806 -0.7434 0.9518 C.3 1 MET1 -0.3599 14 C 0.9858 1.5079 -0.1339 C.2 1 MET1 0.6332 15 C -3.9520 -0.0195 -0.3706 C.2 1 MET1 0.6045 16 C 4.2079 -0.2448 0.0678 C.2 0 UNK0 0.6181 17 C 5.2585 -0.6493 -0.9204 C.3 0 UNK0 -0.5247 18 HB1 -3.0657 -1.2599 1.7003 H 1 MET1 0.1709 19 HB2 -1.5418 -0.4635 1.9878 H 1 MET1 0.1661 20 HG1 -2.1360 -2.2594 -0.4854 H 1 MET1 0.1772 21 HG2 -1.3197 -2.8176 0.9886 H 1 MET1 0.1595 22 HA 2.3900 0.9353 1.3903 H 1 MET1 0.2099 23 HA -1.8772 0.5876 -0.4952 H 1 MET1 0.1688 24 HE1 1.7624 -1.5205 1.3558 H 1 MET1 0.1856 25 HE2 0.4229 -0.4410 1.7904 H 1 MET1 0.1785 26 H 2.7452 0.0175 -1.4395 H 1 MET1 0.3328 27 H1 -3.4822 2.1950 0.8166 H 1 MET1 0.2592 28 H2 -1.9657 1.9424 1.4164 H 1 MET1 0.2763 29 H 6.2018 -0.8811 -0.3971 H 0 UNK0 0.1898 30 H 4.9714 -1.5473 -1.4848 H 0 UNK0 0.1771 31 H 5.4758 0.1512 -1.6412 H 0 UNK0 0.1783 32 H 0.8085 2.5953 -1.7652 H 1 MET1 0.3619 33 H -4.4827 -0.6939 -2.1582 H 1 MET1 0.3536 @BOND 1 1 10 1 2 1 13 1 3 2 14 1 4 2 32 1 5 3 15 1 6 3 33 1 7 4 14 2 8 5 15 2 9 6 16 2 10 7 11 1 11 7 16 am 12 7 26 1 13 8 12 1 14 8 27 1 15 8 28 1 16 9 10 1 17 9 12 1 18 9 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 11 13 1 23 11 14 1 24 11 22 1 25 12 15 1 26 12 23 1 27 13 24 1 28 13 25 1 29 16 17 1 30 17 29 1 31 17 30 1 32 17 31 1