HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -2.788 -1.473 -2.638 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.537 -0.612 -2.827 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.573 0.045 -4.212 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.412 0.457 -1.722 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.071 1.220 -1.728 0.00 0.00 C+0 HETATM 6 C UNK 0 0.287 1.368 -0.213 0.00 0.00 C+0 HETATM 7 C UNK 0 1.083 2.646 0.004 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.085 1.317 0.466 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.022 1.317 1.998 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.094 0.284 2.646 0.00 0.00 C+0 HETATM 11 C UNK 0 1.211 0.005 1.848 0.00 0.00 C+0 HETATM 12 C UNK 0 1.757 -1.373 2.293 0.00 0.00 C+0 HETATM 13 N UNK 0 2.220 1.015 2.214 0.00 0.00 N+0 HETATM 14 C UNK 0 3.497 1.068 1.714 0.00 0.00 C+0 HETATM 15 O UNK 0 3.991 0.318 0.886 0.00 0.00 O+0 HETATM 16 C UNK 0 0.881 0.016 0.317 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.303 -0.956 0.031 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.479 -0.001 -0.246 0.00 0.00 C+0 HETATM 19 H UNK 0 -2.892 -2.192 -3.457 0.00 0.00 H+0 HETATM 20 H UNK 0 -2.736 -2.047 -1.707 0.00 0.00 H+0 HETATM 21 H UNK 0 -3.693 -0.858 -2.611 0.00 0.00 H+0 HETATM 22 H UNK 0 -0.665 -1.275 -2.813 0.00 0.00 H+0 HETATM 23 H UNK 0 -0.662 0.620 -4.403 0.00 0.00 H+0 HETATM 24 H UNK 0 -2.429 0.722 -4.309 0.00 0.00 H+0 HETATM 25 H UNK 0 -1.654 -0.714 -4.998 0.00 0.00 H+0 HETATM 26 H UNK 0 -2.222 1.186 -1.879 0.00 0.00 H+0 HETATM 27 H UNK 0 0.722 0.689 -2.267 0.00 0.00 H+0 HETATM 28 H UNK 0 -0.212 2.192 -2.216 0.00 0.00 H+0 HETATM 29 H UNK 0 0.601 3.494 -0.496 0.00 0.00 H+0 HETATM 30 H UNK 0 2.091 2.551 -0.413 0.00 0.00 H+0 HETATM 31 H UNK 0 1.162 2.932 1.054 0.00 0.00 H+0 HETATM 32 H UNK 0 -1.730 2.149 0.150 0.00 0.00 H+0 HETATM 33 H UNK 0 -2.034 1.179 2.399 0.00 0.00 H+0 HETATM 34 H UNK 0 -0.704 2.314 2.329 0.00 0.00 H+0 HETATM 35 H UNK 0 0.138 0.601 3.672 0.00 0.00 H+0 HETATM 36 H UNK 0 -0.671 -0.642 2.764 0.00 0.00 H+0 HETATM 37 H UNK 0 1.014 -2.172 2.209 0.00 0.00 H+0 HETATM 38 H UNK 0 2.622 -1.678 1.695 0.00 0.00 H+0 HETATM 39 H UNK 0 2.079 -1.343 3.341 0.00 0.00 H+0 HETATM 40 H UNK 0 1.969 1.713 2.902 0.00 0.00 H+0 HETATM 41 H UNK 0 4.065 1.906 2.152 0.00 0.00 H+0 HETATM 42 H UNK 0 1.760 -0.275 -0.269 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.550 -1.625 0.858 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.067 -1.611 -0.812 0.00 0.00 H+0 HETATM 45 H UNK 0 -2.455 -0.397 0.045 0.00 0.00 H+0 CONECT 1 2 19 20 21 CONECT 2 4 1 3 22 CONECT 3 2 23 24 25 CONECT 4 2 5 18 26 CONECT 5 6 4 27 28 CONECT 6 8 7 16 5 CONECT 7 6 29 30 31 CONECT 8 9 6 18 32 CONECT 9 10 8 33 34 CONECT 10 9 11 35 36 CONECT 11 13 12 10 16 CONECT 12 11 37 38 39 CONECT 13 11 14 40 CONECT 14 13 41 15 CONECT 15 14 CONECT 16 17 6 11 42 CONECT 17 18 16 43 44 CONECT 18 17 8 4 45 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 22 2 CONECT 23 3 CONECT 24 3 CONECT 25 3 CONECT 26 4 CONECT 27 5 CONECT 28 5 CONECT 29 7 CONECT 30 7 CONECT 31 7 CONECT 32 8 CONECT 33 9 CONECT 34 9 CONECT 35 10 CONECT 36 10 CONECT 37 12 CONECT 38 12 CONECT 39 12 CONECT 40 13 CONECT 41 14 CONECT 42 16 CONECT 43 17 CONECT 44 17 CONECT 45 18 MASTER 0 0 0 0 0 0 0 0 45 0 94 0 END