HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -0.804 2.009 -3.952 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.465 1.789 -2.809 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.852 1.268 -2.777 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.463 0.804 -3.722 0.00 0.00 O+0 HETATM 5 O UNK 0 -3.328 1.408 -1.513 0.00 0.00 O+0 HETATM 6 C UNK 0 -2.384 2.140 -0.728 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.535 1.850 0.742 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.555 0.681 1.422 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.815 0.712 2.913 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.316 -0.713 0.850 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.392 -1.597 1.172 0.00 0.00 O+0 HETATM 12 C UNK 0 -4.585 -1.331 0.442 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.042 -1.310 1.458 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.533 -2.180 0.340 0.00 0.00 C+0 HETATM 15 O UNK 0 0.853 -2.446 0.467 0.00 0.00 O+0 HETATM 16 C UNK 0 -0.914 -1.378 -0.915 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.252 -2.343 -2.058 0.00 0.00 C+0 HETATM 18 C UNK 0 0.135 -0.358 -1.408 0.00 0.00 C+0 HETATM 19 C UNK 0 0.069 1.084 -0.852 0.00 0.00 C+0 HETATM 20 O UNK 0 1.373 1.651 -1.209 0.00 0.00 O+0 HETATM 21 C UNK 0 1.854 2.634 -0.395 0.00 0.00 C+0 HETATM 22 O UNK 0 1.250 3.101 0.561 0.00 0.00 O+0 HETATM 23 C UNK 0 3.225 3.075 -0.870 0.00 0.00 C+0 HETATM 24 C UNK 0 3.082 3.956 -2.105 0.00 0.00 C+0 HETATM 25 C UNK 0 3.972 3.808 0.241 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.013 2.057 -1.410 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.105 -0.676 -0.565 0.00 0.00 O+0 HETATM 28 H UNK 0 -1.258 1.784 -4.914 0.00 0.00 H+0 HETATM 29 H UNK 0 0.205 2.408 -3.954 0.00 0.00 H+0 HETATM 30 H UNK 0 -2.722 3.185 -0.828 0.00 0.00 H+0 HETATM 31 H UNK 0 -2.688 2.762 1.323 0.00 0.00 H+0 HETATM 32 H UNK 0 -3.691 0.106 3.165 0.00 0.00 H+0 HETATM 33 H UNK 0 -3.010 1.726 3.280 0.00 0.00 H+0 HETATM 34 H UNK 0 -1.953 0.329 3.468 0.00 0.00 H+0 HETATM 35 H UNK 0 -4.438 -1.508 -0.627 0.00 0.00 H+0 HETATM 36 H UNK 0 -5.355 -2.023 0.795 0.00 0.00 H+0 HETATM 37 H UNK 0 -4.942 -0.311 0.614 0.00 0.00 H+0 HETATM 38 H UNK 0 -1.227 -1.895 2.367 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.290 -0.555 1.714 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.066 -3.139 0.362 0.00 0.00 H+0 HETATM 41 H UNK 0 0.976 -2.968 1.280 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.378 -2.928 -2.360 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.630 -1.799 -2.931 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.052 -3.033 -1.766 0.00 0.00 H+0 HETATM 45 H UNK 0 1.142 -0.761 -1.232 0.00 0.00 H+0 HETATM 46 H UNK 0 0.103 -0.297 -2.503 0.00 0.00 H+0 HETATM 47 H UNK 0 0.034 1.045 0.239 0.00 0.00 H+0 HETATM 48 H UNK 0 3.800 2.175 -1.120 0.00 0.00 H+0 HETATM 49 H UNK 0 2.584 3.416 -2.918 0.00 0.00 H+0 HETATM 50 H UNK 0 4.062 4.282 -2.469 0.00 0.00 H+0 HETATM 51 H UNK 0 2.482 4.848 -1.890 0.00 0.00 H+0 HETATM 52 H UNK 0 4.984 4.075 -0.081 0.00 0.00 H+0 HETATM 53 H UNK 0 4.055 3.180 1.134 0.00 0.00 H+0 HETATM 54 H UNK 0 3.454 4.729 0.532 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.593 3.072 -1.379 0.00 0.00 H+0 CONECT 1 2 28 29 CONECT 2 1 3 26 CONECT 3 4 5 2 CONECT 4 3 CONECT 5 6 3 CONECT 6 7 26 5 30 CONECT 7 6 8 31 CONECT 8 9 7 10 CONECT 9 8 32 33 34 CONECT 10 27 11 13 8 CONECT 11 10 12 CONECT 12 11 35 36 37 CONECT 13 10 14 38 39 CONECT 14 16 15 13 40 CONECT 15 14 41 CONECT 16 18 27 17 14 CONECT 17 16 42 43 44 CONECT 18 16 19 45 46 CONECT 19 20 26 18 47 CONECT 20 19 21 CONECT 21 20 23 22 CONECT 22 21 CONECT 23 21 24 25 48 CONECT 24 23 49 50 51 CONECT 25 23 52 53 54 CONECT 26 19 6 2 55 CONECT 27 16 10 CONECT 28 1 CONECT 29 1 CONECT 30 6 CONECT 31 7 CONECT 32 9 CONECT 33 9 CONECT 34 9 CONECT 35 12 CONECT 36 12 CONECT 37 12 CONECT 38 13 CONECT 39 13 CONECT 40 14 CONECT 41 15 CONECT 42 17 CONECT 43 17 CONECT 44 17 CONECT 45 18 CONECT 46 18 CONECT 47 19 CONECT 48 23 CONECT 49 24 CONECT 50 24 CONECT 51 24 CONECT 52 25 CONECT 53 25 CONECT 54 25 CONECT 55 26 MASTER 0 0 0 0 0 0 0 0 55 0 114 0 END