REMARK REMARK TITLE MOLECULE REMARK CHARGE-VALUE 0 REMARK MULTIPLICITY-VALUE 1 REMARK REMARK REORIENT 1 5 6 | 6 5 1 REMARK ATOM 1 CT1 ACE 1 -3.345 -1.130 0.037 C1 ATOM 2 H1 ACE 1 -2.928 -2.073 0.369 H11 ATOM 3 H1 ACE 1 -4.001 -0.746 0.811 H12 ATOM 4 H1 ACE 1 -3.941 -1.290 -0.852 H13 ATOM 5 C2 ACE 1 -2.295 -0.084 -0.266 C ATOM 6 O3 ACE 1 -2.565 0.927 -0.862 O ATOM 7 N4 ALA 2 -1.054 -0.348 0.188 N ATOM 8 H4 ALA 2 -0.844 -1.201 0.656 H ATOM 9 C5 ALA 2 0.051 0.554 -0.022 CA ATOM 10 H5 ALA 2 -0.035 0.968 -1.019 HA ATOM 11 C6 ALA 2 1.336 -0.262 0.088 C ATOM 12 O7 ALA 2 1.372 -1.300 0.698 O ATOM 13 CT10 ALA 2 0.062 1.704 0.994 CB ATOM 14 H10 ALA 2 -0.867 2.253 0.919 HB1 ATOM 15 H10 ALA 2 0.161 1.315 2.002 HB2 ATOM 16 H10 ALA 2 0.883 2.389 0.807 HB3 ATOM 17 N8 NME 3 2.420 0.276 -0.498 N ATOM 18 H8 NME 3 2.308 1.079 -1.073 H ATOM 19 CT9 NME 3 3.710 -0.381 -0.462 C2 ATOM 20 H9 NME 3 3.952 -0.666 0.552 H21 ATOM 21 H9 NME 3 3.722 -1.271 -1.081 H22 ATOM 22 H9 NME 3 4.460 0.310 -0.823 H23 CONECT 1 2 3 4 5 CONECT 2 1 CONECT 3 1 CONECT 4 1 CONECT 5 1 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 11 13 CONECT 10 9 CONECT 11 9 12 17 CONECT 12 11 CONECT 13 9 14 15 16 CONECT 14 13 CONECT 15 13 CONECT 16 13 CONECT 17 11 18 19 CONECT 18 17 CONECT 19 17 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 END