@MOLECULE glycylglycyl-l-phenylalanyl-l-methionine 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 SD -3.4158 2.8344 1.7378 S.3 4 MET444444444 0.0024 2 O 0.0362 0.6122 -2.2080 O.2 3 PHE333333333 -0.5220 3 O 1.0253 4.4929 0.3205 O.3 4 MET444444444 -0.5721 4 OXT 0.0457 5.4331 -1.4403 O.2 4 MET444444444 -0.4825 5 O 0.0408 -1.7247 1.3202 O.2 2 GLY222222222 -0.5403 6 O -3.0620 -3.5283 -1.5528 O.2 1 GLY111111111 -0.5362 7 N 0.5837 2.0234 -0.5287 N.am 4 MET444444444 -0.5901 8 N 0.8439 -1.5678 -0.7949 N.am 3 PHE333333333 -0.5762 9 N -1.9634 -3.4538 0.4306 N.am 2 GLY222222222 -0.5842 10 N -5.5818 -3.6256 -0.4775 N.3 1 GLY111111111 -0.5908 11 CA 1.5004 -0.2903 -0.5237 C.3 3 PHE333333333 0.0215 12 CB 2.8997 -0.2383 -1.1673 C.3 3 PHE333333333 -0.3057 13 CA -0.3030 3.0558 -1.0612 C.3 4 MET444444444 0.0229 14 C 0.6329 0.8053 -1.1701 C.2 3 PHE333333333 0.5374 15 CB -1.7314 2.9751 -0.4732 C.3 4 MET444444444 -0.2958 16 CG 3.9209 -0.8400 -0.2520 C.ar 3 PHE333333333 0.0091 17 CG -1.7479 3.1351 1.0404 C.3 4 MET444444444 -0.3271 18 C 0.2556 4.4432 -0.7959 C.2 4 MET444444444 0.6086 19 C 0.0869 -2.1658 0.1904 C.2 2 GLY222222222 0.5610 20 CD1 4.2064 -2.2057 -0.3105 C.ar 3 PHE333333333 -0.1572 21 CD2 4.5894 -0.0307 0.6684 C.ar 3 PHE333333333 -0.1737 22 CA -0.6504 -3.4492 -0.2078 C.3 2 GLY222222222 -0.1495 23 CE1 5.1648 -2.7504 0.5419 C.ar 3 PHE333333333 -0.1422 24 CE2 5.5424 -0.5798 1.5224 C.ar 3 PHE333333333 -0.1349 25 CZ 5.8359 -1.9419 1.4566 C.ar 3 PHE333333333 -0.1576 26 CE -3.5097 1.0150 1.7308 C.3 4 MET444444444 -0.4987 27 C -3.1089 -3.4611 -0.3424 C.2 1 GLY111111111 0.5352 28 CA -4.4325 -3.4860 0.4249 C.3 1 GLY111111111 -0.1844 29 HA 1.5783 -0.1358 0.5878 H 3 PHE333333333 0.1909 30 HB1 3.1633 0.8130 -1.4111 H 3 PHE333333333 0.1670 31 HB2 2.8929 -0.7581 -2.1514 H 3 PHE333333333 0.1703 32 HA -0.3712 2.9221 -2.1902 H 4 MET444444444 0.2068 33 HB1 -2.1699 1.9990 -0.7799 H 4 MET444444444 0.1734 34 HB2 -2.3690 3.7443 -0.9628 H 4 MET444444444 0.1715 35 H 0.9869 2.1830 0.3825 H 4 MET444444444 0.3308 36 H 0.7190 -1.8053 -1.7718 H 3 PHE333333333 0.3294 37 HG1 -1.0160 2.4648 1.5276 H 4 MET444444444 0.1593 38 HG2 -1.4637 4.1645 1.3354 H 4 MET444444444 0.1679 39 HD1 3.6767 -2.8479 -1.0108 H 3 PHE333333333 0.1544 40 HD2 4.3684 1.0336 0.7200 H 3 PHE333333333 0.1519 41 HA1 -0.7586 -3.5589 -1.3153 H 2 GLY222222222 0.1904 42 HA2 -0.0552 -4.3277 0.1497 H 2 GLY222222222 0.1726 43 HE1 5.3842 -3.8148 0.4924 H 3 PHE333333333 0.1482 44 HE2 6.0650 0.0541 2.2367 H 3 PHE333333333 0.1491 45 HZ 6.5868 -2.3685 2.1175 H 3 PHE333333333 0.1510 46 H -1.9725 -3.2236 1.4168 H 2 GLY222222222 0.3281 47 H 1.3844 5.3936 0.5146 H 4 MET444444444 0.3637 48 HE1 -4.4569 0.7167 2.1963 H 4 MET444444444 0.1709 49 HE2 -2.6950 0.5608 2.3066 H 4 MET444444444 0.1651 50 HE3 -3.4840 0.6058 0.7163 H 4 MET444444444 0.1614 51 HA1 -4.4434 -4.3372 1.1464 H 1 GLY111111111 0.1700 52 HA2 -4.5659 -2.5598 1.0285 H 1 GLY111111111 0.1670 53 H1 -5.6489 -2.8446 -1.1113 H 1 GLY111111111 0.2564 54 H2 -5.5122 -4.4601 -1.0387 H 1 GLY111111111 0.2558 @BOND 1 1 17 1 2 1 26 1 3 2 14 2 4 3 18 1 5 3 47 1 6 4 18 2 7 5 19 2 8 6 27 2 9 7 13 1 10 7 14 am 11 7 35 1 12 8 11 1 13 8 19 am 14 8 36 1 15 9 22 1 16 9 27 am 17 9 46 1 18 10 28 1 19 10 53 1 20 10 54 1 21 11 12 1 22 11 14 1 23 11 29 1 24 12 16 1 25 12 30 1 26 12 31 1 27 13 15 1 28 13 18 1 29 13 32 1 30 15 17 1 31 15 33 1 32 15 34 1 33 16 20 ar 34 16 21 ar 35 17 37 1 36 17 38 1 37 19 22 1 38 20 23 ar 39 20 39 1 40 21 24 ar 41 21 40 1 42 22 41 1 43 22 42 1 44 23 25 ar 45 23 43 1 46 24 25 ar 47 24 44 1 48 25 45 1 49 26 48 1 50 26 49 1 51 26 50 1 52 27 28 1 53 28 51 1 54 28 52 1