REMARK REMARK TITLE MOLECULE REMARK CHARGE-VALUE 0 REMARK MULTIPLICITY-VALUE 1 REMARK ATOM 1 CT1 ACE 1 -3.146 -0.756 -0.624 C1 ATOM 2 H1 ACE 1 -3.212 -0.502 -1.675 H11 ATOM 3 H1 ACE 1 -3.292 -1.820 -0.498 H12 ATOM 4 H1 ACE 1 -3.942 -0.243 -0.094 H13 ATOM 5 C2 ACE 1 -1.825 -0.370 0.004 C ATOM 6 O3 ACE 1 -1.455 -0.882 1.033 O ATOM 7 N4 ALA 2 -1.125 0.582 -0.644 N ATOM 8 H4 ALA 2 -1.485 0.895 -1.515 H ATOM 9 C5 ALA 2 0.113 1.225 -0.203 CA ATOM 10 H5 ALA 2 0.277 2.030 -0.903 HA ATOM 11 C6 ALA 2 1.367 0.353 -0.359 C ATOM 12 O7 ALA 2 2.314 0.783 -0.964 O ATOM 13 CT8 ALA 2 0.018 1.827 1.203 CB ATOM 14 H8 ALA 2 -0.804 2.533 1.243 HB1 ATOM 15 H8 ALA 2 -0.141 1.070 1.957 HB2 ATOM 16 H8 ALA 2 0.937 2.358 1.425 HB3 ATOM 17 N9 NME 3 1.356 -0.851 0.232 N ATOM 18 H9 NME 3 0.546 -1.132 0.740 H ATOM 19 CT10 NME 3 2.509 -1.721 0.173 C2 ATOM 20 H10 NME 3 2.776 -1.942 -0.853 H21 ATOM 21 H10 NME 3 3.368 -1.269 0.655 H22 ATOM 22 H10 NME 3 2.267 -2.645 0.680 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