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 -3.513 -1.322 -1.771 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.816 -0.728 -2.322 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.974 -1.154 -1.413 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.023 -1.314 -3.614 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.678 0.812 -2.455 0.00 0.00 C+0 HETATM 6 O UNK 0 -4.503 1.420 -1.153 0.00 0.00 O+0 HETATM 7 C UNK 0 -5.358 2.579 -1.052 0.00 0.00 C+0 HETATM 8 C UNK 0 -5.875 2.670 0.386 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.568 3.860 -1.474 0.00 0.00 C+0 HETATM 10 O UNK 0 -5.477 4.963 -1.578 0.00 0.00 O+0 HETATM 11 C UNK 0 -3.409 4.284 -0.549 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.311 3.226 -0.389 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.993 3.746 0.224 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.240 4.481 1.553 0.00 0.00 C+0 HETATM 15 O UNK 0 -0.429 4.703 -0.687 0.00 0.00 O+0 HETATM 16 C UNK 0 0.049 2.597 0.435 0.00 0.00 C+0 HETATM 17 C UNK 0 0.324 1.761 -0.830 0.00 0.00 C+0 HETATM 18 C UNK 0 1.399 0.692 -0.608 0.00 0.00 C+0 HETATM 19 C UNK 0 2.148 0.916 0.699 0.00 0.00 C+0 HETATM 20 O UNK 0 3.339 0.128 0.733 0.00 0.00 O+0 HETATM 21 C UNK 0 3.973 0.168 2.030 0.00 0.00 C+0 HETATM 22 C UNK 0 5.183 -0.827 2.063 0.00 0.00 C+0 HETATM 23 C UNK 0 6.202 -0.434 0.969 0.00 0.00 C+0 HETATM 24 C UNK 0 4.730 -2.272 1.750 0.00 0.00 C+0 HETATM 25 C UNK 0 4.138 -2.993 2.955 0.00 0.00 C+0 HETATM 26 C UNK 0 5.073 -2.920 4.159 0.00 0.00 C+0 HETATM 27 Br UNK 0 6.586 -4.144 3.831 0.00 0.00 Br+0 HETATM 28 C UNK 0 5.514 -1.469 4.461 0.00 0.00 C+0 HETATM 29 C UNK 0 6.721 -1.392 5.419 0.00 0.00 C+0 HETATM 30 C UNK 0 4.370 -0.732 5.190 0.00 0.00 C+0 HETATM 31 O UNK 0 5.925 -0.744 3.292 0.00 0.00 O+0 HETATM 32 C UNK 0 4.346 1.619 2.396 0.00 0.00 C+0 HETATM 33 C UNK 0 3.145 2.559 2.266 0.00 0.00 C+0 HETATM 34 C UNK 0 2.450 2.412 0.900 0.00 0.00 C+0 HETATM 35 C UNK 0 3.359 2.991 -0.202 0.00 0.00 C+0 HETATM 36 O UNK 0 1.262 3.220 0.918 0.00 0.00 O+0 HETATM 37 C UNK 0 -6.516 2.272 -2.007 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.827 1.564 -3.151 0.00 0.00 C+0 HETATM 39 O UNK 0 -6.720 0.741 -3.888 0.00 0.00 O+0 HETATM 40 H UNK 0 -3.566 -2.416 -1.736 0.00 0.00 H+0 HETATM 41 H UNK 0 -2.667 -1.077 -2.424 0.00 0.00 H+0 HETATM 42 H UNK 0 -3.289 -0.955 -0.764 0.00 0.00 H+0 HETATM 43 H UNK 0 -6.940 -0.829 -1.811 0.00 0.00 H+0 HETATM 44 H UNK 0 -5.864 -0.757 -0.399 0.00 0.00 H+0 HETATM 45 H UNK 0 -6.030 -2.247 -1.348 0.00 0.00 H+0 HETATM 46 H UNK 0 -5.811 -0.864 -3.988 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.765 1.021 -3.029 0.00 0.00 H+0 HETATM 48 H UNK 0 -6.430 1.765 0.657 0.00 0.00 H+0 HETATM 49 H UNK 0 -5.052 2.734 1.105 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.534 3.532 0.526 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.143 3.706 -2.473 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.957 5.748 -1.826 0.00 0.00 H+0 HETATM 53 H UNK 0 -2.973 5.204 -0.960 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.809 4.574 0.430 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.683 2.403 0.231 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.103 2.831 -1.390 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.857 5.374 1.408 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.304 4.847 1.990 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.729 3.829 2.283 0.00 0.00 H+0 HETATM 60 H UNK 0 0.482 4.856 -0.364 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.327 1.937 1.228 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.587 1.263 -1.180 0.00 0.00 H+0 HETATM 63 H UNK 0 0.655 2.421 -1.641 0.00 0.00 H+0 HETATM 64 H UNK 0 2.088 0.665 -1.461 0.00 0.00 H+0 HETATM 65 H UNK 0 0.938 -0.304 -0.586 0.00 0.00 H+0 HETATM 66 H UNK 0 1.489 0.562 1.505 0.00 0.00 H+0 HETATM 67 H UNK 0 3.225 -0.175 2.749 0.00 0.00 H+0 HETATM 68 H UNK 0 5.757 -0.431 -0.031 0.00 0.00 H+0 HETATM 69 H UNK 0 6.646 0.548 1.161 0.00 0.00 H+0 HETATM 70 H UNK 0 7.047 -1.134 0.961 0.00 0.00 H+0 HETATM 71 H UNK 0 5.589 -2.857 1.397 0.00 0.00 H+0 HETATM 72 H UNK 0 4.012 -2.291 0.922 0.00 0.00 H+0 HETATM 73 H UNK 0 3.171 -2.543 3.207 0.00 0.00 H+0 HETATM 74 H UNK 0 3.923 -4.035 2.687 0.00 0.00 H+0 HETATM 75 H UNK 0 4.588 -3.365 5.035 0.00 0.00 H+0 HETATM 76 H UNK 0 7.650 -1.706 4.932 0.00 0.00 H+0 HETATM 77 H UNK 0 6.899 -0.356 5.732 0.00 0.00 H+0 HETATM 78 H UNK 0 6.566 -1.996 6.320 0.00 0.00 H+0 HETATM 79 H UNK 0 4.589 0.336 5.291 0.00 0.00 H+0 HETATM 80 H UNK 0 4.216 -1.143 6.195 0.00 0.00 H+0 HETATM 81 H UNK 0 3.414 -0.817 4.674 0.00 0.00 H+0 HETATM 82 H UNK 0 4.741 1.674 3.415 0.00 0.00 H+0 HETATM 83 H UNK 0 5.135 1.990 1.735 0.00 0.00 H+0 HETATM 84 H UNK 0 2.424 2.340 3.065 0.00 0.00 H+0 HETATM 85 H UNK 0 3.456 3.598 2.434 0.00 0.00 H+0 HETATM 86 H UNK 0 2.841 3.052 -1.163 0.00 0.00 H+0 HETATM 87 H UNK 0 3.648 4.020 0.042 0.00 0.00 H+0 HETATM 88 H UNK 0 4.270 2.404 -0.348 0.00 0.00 H+0 HETATM 89 H UNK 0 -7.247 1.595 -1.547 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.076 3.153 -2.334 0.00 0.00 H+0 HETATM 91 H UNK 0 -5.408 2.298 -3.849 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.444 1.314 -4.200 0.00 0.00 H+0 CONECT 1 2 40 41 42 CONECT 2 5 4 1 3 CONECT 3 2 43 44 45 CONECT 4 2 46 CONECT 5 6 38 2 47 CONECT 6 7 5 CONECT 7 37 6 9 8 CONECT 8 7 48 49 50 CONECT 9 11 7 10 51 CONECT 10 9 52 CONECT 11 12 9 53 54 CONECT 12 13 11 55 56 CONECT 13 16 12 14 15 CONECT 14 13 57 58 59 CONECT 15 13 60 CONECT 16 61 13 17 36 CONECT 17 18 16 62 63 CONECT 18 19 17 64 65 CONECT 19 66 18 20 34 CONECT 20 21 19 CONECT 21 22 32 67 20 CONECT 22 21 23 31 24 CONECT 23 22 68 69 70 CONECT 24 25 22 71 72 CONECT 25 26 24 73 74 CONECT 26 25 27 28 75 CONECT 27 26 CONECT 28 29 30 31 26 CONECT 29 28 76 77 78 CONECT 30 28 79 80 81 CONECT 31 22 28 CONECT 32 21 33 82 83 CONECT 33 32 34 84 85 CONECT 34 35 36 33 19 CONECT 35 34 86 87 88 CONECT 36 34 16 CONECT 37 38 7 89 90 CONECT 38 37 5 39 91 CONECT 39 38 92 CONECT 40 1 CONECT 41 1 CONECT 42 1 CONECT 43 3 CONECT 44 3 CONECT 45 3 CONECT 46 4 CONECT 47 5 CONECT 48 8 CONECT 49 8 CONECT 50 8 CONECT 51 9 CONECT 52 10 CONECT 53 11 CONECT 54 11 CONECT 55 12 CONECT 56 12 CONECT 57 14 CONECT 58 14 CONECT 59 14 CONECT 60 15 CONECT 61 16 CONECT 62 17 CONECT 63 17 CONECT 64 18 CONECT 65 18 CONECT 66 19 CONECT 67 21 CONECT 68 23 CONECT 69 23 CONECT 70 23 CONECT 71 24 CONECT 72 24 CONECT 73 25 CONECT 74 25 CONECT 75 26 CONECT 76 29 CONECT 77 29 CONECT 78 29 CONECT 79 30 CONECT 80 30 CONECT 81 30 CONECT 82 32 CONECT 83 32 CONECT 84 33 CONECT 85 33 CONECT 86 35 CONECT 87 35 CONECT 88 35 CONECT 89 37 CONECT 90 37 CONECT 91 38 CONECT 92 39 MASTER 0 0 0 0 0 0 0 0 92 0 190 0 END