@MOLECULE l-(1-~11~c)methionine 20 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CA 1.2356 -0.4626 -0.4535 C.3 1 MET1 -0.0025 2 C 2.5184 0.2248 0.0082 C.2 1 MET1 0.5737 3 CB 0.0330 0.2834 0.1671 C.3 1 MET1 -0.2676 4 CG -1.2627 -0.2586 -0.4254 C.3 1 MET1 -0.3116 5 CE -4.0871 -0.4126 -0.2430 C.3 1 MET1 -0.4991 6 H1 2.0156 -2.3834 -0.4411 H 1 MET1 0.2644 7 H2 1.1986 -2.0052 0.9317 H 1 MET1 0.2642 8 OXT 3.3691 -0.2233 0.7290 O.2 1 MET1 -0.5077 9 O 2.6179 1.4647 -0.5233 O.3 1 MET1 -0.5557 10 H 3.4357 1.9541 -0.2547 H 1 MET1 0.3585 11 N 1.2243 -1.8779 -0.0699 N.3 1 MET1 -0.6266 12 SD -2.6916 0.5791 0.3762 S.3 1 MET1 -0.0201 13 HA 1.1793 -0.4026 -1.5767 H 1 MET1 0.1788 14 HB1 0.0453 0.1710 1.2712 H 1 MET1 0.1596 15 HB2 0.1379 1.3724 -0.0329 H 1 MET1 0.1685 16 HG1 -1.3005 -0.0926 -1.5164 H 1 MET1 0.1530 17 HG2 -1.3279 -1.3546 -0.2714 H 1 MET1 0.1749 18 HE1 -5.0135 -0.0018 0.1785 H 1 MET1 0.1723 19 HE2 -4.1669 -0.3734 -1.3333 H 1 MET1 0.1604 20 HE3 -4.0135 -1.4605 0.0642 H 1 MET1 0.1625 @BOND 1 13 1 1 2 16 4 1 3 19 5 1 4 9 10 1 5 9 2 1 6 1 11 1 7 1 2 1 8 1 3 1 9 6 11 1 10 4 17 1 11 4 3 1 12 4 12 1 13 5 20 1 14 5 18 1 15 5 12 1 16 11 7 1 17 15 3 1 18 2 8 2 19 3 14 1