HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -3.755 2.538 -2.420 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.623 3.091 -2.891 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.414 4.581 -2.779 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.485 2.343 -3.581 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.685 0.818 -3.800 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.344 -0.013 -2.549 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.737 -1.505 -2.538 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.458 -2.145 -3.910 0.00 0.00 C+0 HETATM 9 O UNK 0 -3.152 -1.543 -2.307 0.00 0.00 O+0 HETATM 10 C UNK 0 -0.979 -2.266 -1.392 0.00 0.00 C+0 HETATM 11 Br UNK 0 -1.692 -4.135 -1.278 0.00 0.00 Br+0 HETATM 12 C UNK 0 -1.060 -1.718 0.055 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.163 -0.495 0.325 0.00 0.00 C+0 HETATM 14 C UNK 0 0.219 -0.184 1.818 0.00 0.00 C+0 HETATM 15 C UNK 0 1.242 -1.261 2.265 0.00 0.00 C+0 HETATM 16 C UNK 0 0.811 1.268 1.822 0.00 0.00 C+0 HETATM 17 C UNK 0 0.040 2.336 2.168 0.00 0.00 C+0 HETATM 18 C UNK 0 0.515 3.773 2.191 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.419 2.229 2.564 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.044 0.845 2.434 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.048 -0.267 2.726 0.00 0.00 C+0 HETATM 22 Br UNK 0 -0.621 -0.224 4.659 0.00 0.00 Br+0 HETATM 23 C UNK 0 2.287 1.444 1.437 0.00 0.00 C+0 HETATM 24 C UNK 0 2.602 1.644 -0.038 0.00 0.00 C+0 HETATM 25 C UNK 0 1.640 2.081 -0.967 0.00 0.00 C+0 HETATM 26 C UNK 0 1.942 2.202 -2.334 0.00 0.00 C+0 HETATM 27 C UNK 0 3.249 1.963 -2.771 0.00 0.00 C+0 HETATM 28 C UNK 0 4.235 1.592 -1.856 0.00 0.00 C+0 HETATM 29 C UNK 0 3.906 1.430 -0.509 0.00 0.00 C+0 HETATM 30 O UNK 0 4.871 1.050 0.382 0.00 0.00 O+0 HETATM 31 C UNK 0 0.889 2.465 -3.358 0.00 0.00 C+0 HETATM 32 O UNK 0 1.099 2.489 -4.560 0.00 0.00 O+0 HETATM 33 O UNK 0 -0.318 2.544 -2.756 0.00 0.00 O+0 HETATM 34 H UNK 0 -3.961 1.474 -2.478 0.00 0.00 H+0 HETATM 35 H UNK 0 -4.524 3.142 -1.946 0.00 0.00 H+0 HETATM 36 H UNK 0 -3.280 5.088 -2.340 0.00 0.00 H+0 HETATM 37 H UNK 0 -1.548 4.803 -2.147 0.00 0.00 H+0 HETATM 38 H UNK 0 -2.245 5.016 -3.769 0.00 0.00 H+0 HETATM 39 H UNK 0 -1.345 2.815 -4.563 0.00 0.00 H+0 HETATM 40 H UNK 0 -2.696 0.607 -4.165 0.00 0.00 H+0 HETATM 41 H UNK 0 -1.000 0.507 -4.599 0.00 0.00 H+0 HETATM 42 H UNK 0 -1.845 0.470 -1.705 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.261 0.048 -2.402 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.037 -1.658 -4.703 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.396 -2.090 -4.167 0.00 0.00 H+0 HETATM 46 H UNK 0 -1.769 -3.193 -3.951 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.405 -2.482 -2.232 0.00 0.00 H+0 HETATM 48 H UNK 0 0.073 -2.410 -1.669 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.102 -1.479 0.299 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.756 -2.513 0.746 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.667 0.388 -0.072 0.00 0.00 H+0 HETATM 52 H UNK 0 0.760 -0.615 -0.256 0.00 0.00 H+0 HETATM 53 H UNK 0 1.777 -0.970 3.175 0.00 0.00 H+0 HETATM 54 H UNK 0 0.752 -2.221 2.461 0.00 0.00 H+0 HETATM 55 H UNK 0 1.999 -1.448 1.494 0.00 0.00 H+0 HETATM 56 H UNK 0 1.491 3.932 1.729 0.00 0.00 H+0 HETATM 57 H UNK 0 0.566 4.132 3.224 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.187 4.410 1.641 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.513 2.568 3.604 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.015 2.926 1.961 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.917 0.778 3.096 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.437 0.729 1.417 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.544 -1.238 2.622 0.00 0.00 H+0 HETATM 64 H UNK 0 2.723 2.288 1.986 0.00 0.00 H+0 HETATM 65 H UNK 0 2.854 0.584 1.806 0.00 0.00 H+0 HETATM 66 H UNK 0 0.629 2.291 -0.628 0.00 0.00 H+0 HETATM 67 H UNK 0 3.499 2.050 -3.827 0.00 0.00 H+0 HETATM 68 H UNK 0 5.245 1.416 -2.214 0.00 0.00 H+0 HETATM 69 H UNK 0 5.721 0.975 -0.082 0.00 0.00 H+0 CONECT 1 2 34 35 CONECT 2 4 3 1 CONECT 3 2 36 37 38 CONECT 4 33 5 2 39 CONECT 5 4 6 40 41 CONECT 6 5 7 42 43 CONECT 7 9 6 8 10 CONECT 8 7 44 45 46 CONECT 9 7 47 CONECT 10 12 11 7 48 CONECT 11 10 CONECT 12 10 13 49 50 CONECT 13 12 14 51 52 CONECT 14 16 21 13 15 CONECT 15 14 53 54 55 CONECT 16 14 17 23 CONECT 17 16 19 18 CONECT 18 17 56 57 58 CONECT 19 17 20 59 60 CONECT 20 19 21 61 62 CONECT 21 14 20 22 63 CONECT 22 21 CONECT 23 24 16 64 65 CONECT 24 29 23 25 CONECT 25 26 24 66 CONECT 26 25 27 31 CONECT 27 26 28 67 CONECT 28 27 29 68 CONECT 29 24 30 28 CONECT 30 29 69 CONECT 31 32 33 26 CONECT 32 31 CONECT 33 31 4 CONECT 34 1 CONECT 35 1 CONECT 36 3 CONECT 37 3 CONECT 38 3 CONECT 39 4 CONECT 40 5 CONECT 41 5 CONECT 42 6 CONECT 43 6 CONECT 44 8 CONECT 45 8 CONECT 46 8 CONECT 47 9 CONECT 48 10 CONECT 49 12 CONECT 50 12 CONECT 51 13 CONECT 52 13 CONECT 53 15 CONECT 54 15 CONECT 55 15 CONECT 56 18 CONECT 57 18 CONECT 58 18 CONECT 59 19 CONECT 60 19 CONECT 61 20 CONECT 62 20 CONECT 63 21 CONECT 64 23 CONECT 65 23 CONECT 66 25 CONECT 67 27 CONECT 68 28 CONECT 69 30 MASTER 0 0 0 0 0 0 0 0 69 0 142 0 END