HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -7.405 0.804 -0.675 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.000 0.272 -0.757 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.071 1.302 -0.214 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.184 2.558 -1.017 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.626 0.791 -0.158 0.00 0.00 C+0 HETATM 6 N UNK 0 -3.587 -0.374 0.700 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.819 -1.528 0.487 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.388 -2.149 1.494 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.469 -2.083 -0.861 0.00 0.00 C+0 HETATM 10 N UNK 0 -3.079 -3.367 -1.000 0.00 0.00 N+0 HETATM 11 C UNK 0 -2.793 -4.511 -0.248 0.00 0.00 C+0 HETATM 12 O UNK 0 -3.728 -5.319 -0.011 0.00 0.00 O+0 HETATM 13 C UNK 0 -1.442 -4.845 0.299 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.094 -5.867 1.176 0.00 0.00 C+0 HETATM 15 S UNK 0 0.591 -5.623 1.338 0.00 0.00 S+0 HETATM 16 C UNK 0 0.757 -4.275 0.313 0.00 0.00 C+0 HETATM 17 N UNK 0 -0.477 -4.083 -0.098 0.00 0.00 N+0 HETATM 18 C UNK 0 1.889 -3.374 -0.157 0.00 0.00 C+0 HETATM 19 C UNK 0 3.168 -4.191 -0.107 0.00 0.00 C+0 HETATM 20 C UNK 0 3.500 -4.651 1.275 0.00 0.00 C+0 HETATM 21 C UNK 0 4.310 -3.349 -0.623 0.00 0.00 C+0 HETATM 22 O UNK 0 3.064 -5.288 -0.973 0.00 0.00 O+0 HETATM 23 O UNK 0 1.918 -2.280 0.679 0.00 0.00 O+0 HETATM 24 C UNK 0 1.440 -1.018 0.622 0.00 0.00 C+0 HETATM 25 O UNK 0 0.302 -0.668 1.072 0.00 0.00 O+0 HETATM 26 C UNK 0 2.243 0.067 0.015 0.00 0.00 C+0 HETATM 27 C UNK 0 2.605 -0.133 -1.415 0.00 0.00 C+0 HETATM 28 C UNK 0 3.529 0.153 0.845 0.00 0.00 C+0 HETATM 29 C UNK 0 1.503 1.418 0.101 0.00 0.00 C+0 HETATM 30 C UNK 0 2.446 2.439 -0.530 0.00 0.00 C+0 HETATM 31 C UNK 0 1.866 3.810 -0.521 0.00 0.00 C+0 HETATM 32 C UNK 0 2.672 4.888 -1.155 0.00 0.00 C+0 HETATM 33 C UNK 0 4.012 5.202 -0.631 0.00 0.00 C+0 HETATM 34 C UNK 0 5.049 4.118 -0.683 0.00 0.00 C+0 HETATM 35 Cl UNK 0 3.954 5.854 1.036 0.00 0.00 Cl+0 HETATM 36 Cl UNK 0 4.659 6.562 -1.634 0.00 0.00 Cl+0 HETATM 37 O UNK 0 1.250 1.647 1.446 0.00 0.00 O+0 HETATM 38 C UNK 0 0.375 2.552 2.010 0.00 0.00 C+0 HETATM 39 O UNK 0 0.727 3.231 3.009 0.00 0.00 O+0 HETATM 40 C UNK 0 -1.004 2.777 1.486 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.666 3.987 1.526 0.00 0.00 C+0 HETATM 42 S UNK 0 -3.166 3.582 0.779 0.00 0.00 S+0 HETATM 43 C UNK 0 -2.851 1.930 0.474 0.00 0.00 C+0 HETATM 44 N UNK 0 -1.643 1.782 0.950 0.00 0.00 N+0 HETATM 45 H UNK 0 -7.473 1.894 -0.646 0.00 0.00 H+0 HETATM 46 H UNK 0 -7.914 0.440 0.265 0.00 0.00 H+0 HETATM 47 H UNK 0 -8.048 0.397 -1.501 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.983 -0.684 -0.191 0.00 0.00 H+0 HETATM 49 H UNK 0 -5.801 0.010 -1.812 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.400 1.541 0.825 0.00 0.00 H+0 HETATM 51 H UNK 0 -5.918 2.432 -1.862 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.247 2.896 -1.463 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.571 3.430 -0.413 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.260 0.605 -1.181 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.196 -0.337 1.558 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.871 -1.353 -1.591 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.373 -2.087 -1.020 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.827 -3.441 -1.758 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.768 -6.620 1.626 0.00 0.00 H+0 HETATM 60 H UNK 0 1.630 -3.183 -1.221 0.00 0.00 H+0 HETATM 61 H UNK 0 3.146 -3.899 2.013 0.00 0.00 H+0 HETATM 62 H UNK 0 4.605 -4.689 1.377 0.00 0.00 H+0 HETATM 63 H UNK 0 3.138 -5.674 1.507 0.00 0.00 H+0 HETATM 64 H UNK 0 4.183 -3.091 -1.694 0.00 0.00 H+0 HETATM 65 H UNK 0 5.245 -3.971 -0.497 0.00 0.00 H+0 HETATM 66 H UNK 0 4.423 -2.475 0.040 0.00 0.00 H+0 HETATM 67 H UNK 0 2.170 -5.672 -0.904 0.00 0.00 H+0 HETATM 68 H UNK 0 2.750 -1.175 -1.697 0.00 0.00 H+0 HETATM 69 H UNK 0 1.931 0.416 -2.117 0.00 0.00 H+0 HETATM 70 H UNK 0 3.620 0.348 -1.561 0.00 0.00 H+0 HETATM 71 H UNK 0 3.483 1.009 1.563 0.00 0.00 H+0 HETATM 72 H UNK 0 3.649 -0.740 1.492 0.00 0.00 H+0 HETATM 73 H UNK 0 4.428 0.192 0.195 0.00 0.00 H+0 HETATM 74 H UNK 0 0.613 1.359 -0.535 0.00 0.00 H+0 HETATM 75 H UNK 0 2.762 2.176 -1.532 0.00 0.00 H+0 HETATM 76 H UNK 0 3.348 2.453 0.139 0.00 0.00 H+0 HETATM 77 H UNK 0 1.555 4.091 0.521 0.00 0.00 H+0 HETATM 78 H UNK 0 0.898 3.748 -1.114 0.00 0.00 H+0 HETATM 79 H UNK 0 2.833 4.571 -2.245 0.00 0.00 H+0 HETATM 80 H UNK 0 2.052 5.832 -1.295 0.00 0.00 H+0 HETATM 81 H UNK 0 4.847 3.319 -1.403 0.00 0.00 H+0 HETATM 82 H UNK 0 5.288 3.684 0.322 0.00 0.00 H+0 HETATM 83 H UNK 0 6.055 4.544 -0.999 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.339 4.958 1.925 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 1 3 48 49 CONECT 3 2 4 5 50 CONECT 4 3 51 52 53 CONECT 5 3 6 43 54 CONECT 6 5 7 55 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 56 57 CONECT 10 9 11 58 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 17 CONECT 14 13 15 59 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 13 CONECT 18 16 19 23 60 CONECT 19 18 20 21 22 CONECT 20 19 61 62 63 CONECT 21 19 64 65 66 CONECT 22 19 67 CONECT 23 18 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 29 CONECT 27 26 68 69 70 CONECT 28 26 71 72 73 CONECT 29 26 30 37 74 CONECT 30 29 31 75 76 CONECT 31 30 32 77 78 CONECT 32 31 33 79 80 CONECT 33 32 34 35 36 CONECT 34 33 81 82 83 CONECT 35 33 CONECT 36 33 CONECT 37 29 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 44 CONECT 41 40 42 84 CONECT 42 41 43 CONECT 43 42 44 5 CONECT 44 43 40 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 2 CONECT 49 2 CONECT 50 3 CONECT 51 4 CONECT 52 4 CONECT 53 4 CONECT 54 5 CONECT 55 6 CONECT 56 9 CONECT 57 9 CONECT 58 10 CONECT 59 14 CONECT 60 18 CONECT 61 20 CONECT 62 20 CONECT 63 20 CONECT 64 21 CONECT 65 21 CONECT 66 21 CONECT 67 22 CONECT 68 27 CONECT 69 27 CONECT 70 27 CONECT 71 28 CONECT 72 28 CONECT 73 28 CONECT 74 29 CONECT 75 30 CONECT 76 30 CONECT 77 31 CONECT 78 31 CONECT 79 32 CONECT 80 32 CONECT 81 34 CONECT 82 34 CONECT 83 34 CONECT 84 41 MASTER 0 0 0 0 0 0 0 0 84 0 172 0 END