@MOLECULE acetyl-l-methionine 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 SD -2.9664 1.3791 -0.1333 S.3 1 MET11111111 -0.0046 2 O 0.3258 -1.8738 -1.3521 O.3 1 MET11111111 -0.5776 3 OXT 0.0124 -2.8026 0.6488 O.2 1 MET11111111 -0.4816 4 O 3.0101 0.8460 1.2945 O.2 0 UNK0 -0.5273 5 N 1.6454 0.1952 -0.3811 N.am 1 MET1 -0.6166 6 CA 0.7363 -0.4731 0.5390 C.3 1 MET1 0.0264 7 CB -0.5518 0.3404 0.8069 C.3 1 MET1 -0.2943 8 CG -1.3009 0.6917 -0.4715 C.3 1 MET1 -0.3289 9 C 0.3326 -1.8411 0.0066 C.2 1 MET1 0.6042 10 C 2.7734 0.8403 0.1056 C.2 0 UNK0 0.6186 11 C 3.6333 1.5021 -0.9310 C.3 0 UNK0 -0.5275 12 CE -3.9402 -0.1107 0.2480 C.3 1 MET1 -0.4968 13 HA 1.2697 -0.6354 1.5314 H 1 MET1 0.2096 14 HB1 -0.2722 1.2659 1.3580 H 1 MET1 0.1749 15 HB2 -1.1896 -0.2348 1.5113 H 1 MET1 0.1641 16 HG1 -0.7595 1.4720 -1.0422 H 1 MET1 0.1646 17 HG2 -1.3838 -0.1794 -1.1480 H 1 MET1 0.1643 18 H 1.4077 0.1736 -1.3595 H 1 MET1 0.3258 19 H 4.5487 1.9015 -0.4616 H 0 UNK0 0.1900 20 H 3.9501 0.8056 -1.7186 H 0 UNK0 0.1755 21 H 3.1196 2.3478 -1.4077 H 0 UNK0 0.1758 22 HE1 -3.5631 -0.6365 1.1313 H 1 MET1 0.1644 23 HE2 -3.9630 -0.8139 -0.5901 H 1 MET1 0.1614 24 HE3 -4.9718 0.2016 0.4557 H 1 MET1 0.1727 25 H 0.0934 -2.7599 -1.7269 H 1 MET1 0.3629 @BOND 1 21 11 1 2 20 11 1 3 11 19 1 4 11 10 1 5 16 8 1 6 18 5 1 7 17 8 1 8 5 10 am 9 5 6 1 10 10 4 2 11 8 1 1 12 8 7 1 13 2 25 1 14 2 9 1 15 1 12 1 16 23 12 1 17 6 7 1 18 6 9 1 19 6 13 1 20 7 14 1 21 7 15 1 22 12 24 1 23 12 22 1 24 9 3 2