REMARK REMARK TITLE MOLECULE REMARK CHARGE-VALUE 0 REMARK MULTIPLICITY-VALUE 1 REMARK ATOM 1 CT1 ACE 1 -3.074 -0.662 0.774 C1 ATOM 2 H1 ACE 1 -3.319 0.164 1.429 H11 ATOM 3 H1 ACE 1 -3.913 -0.867 0.122 H12 ATOM 4 H1 ACE 1 -2.898 -1.548 1.374 H13 ATOM 5 C2 ACE 1 -1.853 -0.410 -0.081 C ATOM 6 O3 ACE 1 -1.573 -1.137 -1.003 O ATOM 7 N4 ALA 2 -1.100 0.657 0.255 N ATOM 8 H4 ALA 2 -1.325 1.170 1.077 H ATOM 9 C5 ALA 2 0.108 1.036 -0.467 CA ATOM 10 H5 ALA 2 -0.048 0.757 -1.499 HA ATOM 11 C6 ALA 2 1.310 0.253 0.081 C ATOM 12 O7 ALA 2 2.087 0.745 0.856 O ATOM 13 CT8 ALA 2 0.331 2.538 -0.362 CB ATOM 14 H8 ALA 2 -0.526 3.068 -0.762 HB1 ATOM 15 H8 ALA 2 0.490 2.835 0.667 HB2 ATOM 16 H8 ALA 2 1.211 2.827 -0.922 HB3 ATOM 17 N9 NME 3 1.409 -1.010 -0.371 N ATOM 18 H9 NME 3 0.636 -1.382 -0.879 H ATOM 19 CT10 NME 3 2.410 -1.916 0.148 C2 ATOM 20 H10 NME 3 3.383 -1.448 0.114 H21 ATOM 21 H10 NME 3 2.206 -2.204 1.174 H22 ATOM 22 H10 NME 3 2.425 -2.805 -0.469 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