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 -4.758 -4.506 3.673 0.00 0.00 C+0 HETATM 2 O UNK 0 -3.806 -4.056 2.707 0.00 0.00 O+0 HETATM 3 C UNK 0 -4.316 -3.197 1.789 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.475 -2.813 1.741 0.00 0.00 O+0 HETATM 5 C UNK 0 -3.274 -2.743 0.830 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.074 -3.333 0.766 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.066 -3.007 -0.096 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.155 -1.712 -0.704 0.00 0.00 C+0 HETATM 9 O UNK 0 -0.313 -1.705 -1.869 0.00 0.00 O+0 HETATM 10 C UNK 0 1.065 -1.587 -1.524 0.00 0.00 C+0 HETATM 11 O UNK 0 1.338 -0.214 -1.255 0.00 0.00 O+0 HETATM 12 C UNK 0 2.712 -0.014 -0.857 0.00 0.00 C+0 HETATM 13 C UNK 0 2.887 1.457 -0.460 0.00 0.00 C+0 HETATM 14 O UNK 0 1.983 1.746 0.617 0.00 0.00 O+0 HETATM 15 C UNK 0 1.899 3.145 0.903 0.00 0.00 C+0 HETATM 16 O UNK 0 1.591 3.330 2.286 0.00 0.00 O+0 HETATM 17 C UNK 0 0.281 2.920 2.712 0.00 0.00 C+0 HETATM 18 C UNK 0 0.374 1.724 3.672 0.00 0.00 C+0 HETATM 19 O UNK 0 0.651 0.515 2.948 0.00 0.00 O+0 HETATM 20 C UNK 0 1.469 -0.369 3.565 0.00 0.00 C+0 HETATM 21 O UNK 0 1.940 -0.292 4.686 0.00 0.00 O+0 HETATM 22 C UNK 0 1.710 -1.470 2.613 0.00 0.00 C+0 HETATM 23 C UNK 0 2.711 -2.338 2.816 0.00 0.00 C+0 HETATM 24 C UNK 0 3.047 -3.381 1.843 0.00 0.00 C+0 HETATM 25 C UNK 0 2.074 -4.235 1.307 0.00 0.00 C+0 HETATM 26 C UNK 0 2.420 -5.197 0.354 0.00 0.00 C+0 HETATM 27 C UNK 0 3.746 -5.314 -0.048 0.00 0.00 C+0 HETATM 28 O UNK 0 4.127 -6.226 -0.985 0.00 0.00 O+0 HETATM 29 C UNK 0 4.728 -4.495 0.495 0.00 0.00 C+0 HETATM 30 C UNK 0 4.380 -3.530 1.442 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.723 2.707 1.570 0.00 0.00 C+0 HETATM 32 O UNK 0 -2.064 2.727 2.076 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.536 3.843 0.568 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.531 3.754 -0.467 0.00 0.00 O+0 HETATM 35 C UNK 0 0.874 3.836 -0.034 0.00 0.00 C+0 HETATM 36 O UNK 0 1.261 5.193 -0.315 0.00 0.00 O+0 HETATM 37 C UNK 0 3.651 -0.404 -2.006 0.00 0.00 C+0 HETATM 38 O UNK 0 5.019 -0.274 -1.620 0.00 0.00 O+0 HETATM 39 C UNK 0 3.379 -1.851 -2.432 0.00 0.00 C+0 HETATM 40 O UNK 0 4.166 -2.149 -3.596 0.00 0.00 O+0 HETATM 41 C UNK 0 1.895 -2.064 -2.727 0.00 0.00 C+0 HETATM 42 O UNK 0 1.662 -3.453 -3.010 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.572 -1.344 -1.176 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.746 0.144 -1.384 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.039 0.884 -2.463 0.00 0.00 C+0 HETATM 46 O UNK 0 -0.885 1.495 -1.893 0.00 0.00 O+0 HETATM 47 C UNK 0 -3.561 0.682 -0.467 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.022 -0.323 0.533 0.00 0.00 C+0 HETATM 49 C UNK 0 -3.667 -1.663 -0.133 0.00 0.00 C+0 HETATM 50 H UNK 0 -4.246 -5.185 4.361 0.00 0.00 H+0 HETATM 51 H UNK 0 -5.569 -5.054 3.185 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.149 -3.661 4.248 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.778 -4.182 1.373 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.795 -0.969 0.023 0.00 0.00 H+0 HETATM 55 H UNK 0 1.283 -2.207 -0.648 0.00 0.00 H+0 HETATM 56 H UNK 0 2.910 -0.626 0.030 0.00 0.00 H+0 HETATM 57 H UNK 0 2.660 2.099 -1.317 0.00 0.00 H+0 HETATM 58 H UNK 0 3.911 1.652 -0.123 0.00 0.00 H+0 HETATM 59 H UNK 0 2.888 3.598 0.764 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.082 3.754 3.328 0.00 0.00 H+0 HETATM 61 H UNK 0 1.152 1.928 4.416 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.581 1.582 4.189 0.00 0.00 H+0 HETATM 63 H UNK 0 1.080 -1.495 1.735 0.00 0.00 H+0 HETATM 64 H UNK 0 3.357 -2.255 3.688 0.00 0.00 H+0 HETATM 65 H UNK 0 1.037 -4.159 1.625 0.00 0.00 H+0 HETATM 66 H UNK 0 1.648 -5.840 -0.057 0.00 0.00 H+0 HETATM 67 H UNK 0 3.340 -6.705 -1.292 0.00 0.00 H+0 HETATM 68 H UNK 0 5.762 -4.601 0.178 0.00 0.00 H+0 HETATM 69 H UNK 0 5.157 -2.887 1.851 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.592 1.742 1.068 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.623 3.004 1.323 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.736 4.801 1.064 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.328 2.950 -0.999 0.00 0.00 H+0 HETATM 74 H UNK 0 0.865 3.337 -1.007 0.00 0.00 H+0 HETATM 75 H UNK 0 0.531 5.586 -0.830 0.00 0.00 H+0 HETATM 76 H UNK 0 3.493 0.258 -2.867 0.00 0.00 H+0 HETATM 77 H UNK 0 5.532 -0.722 -2.324 0.00 0.00 H+0 HETATM 78 H UNK 0 3.723 -2.545 -1.657 0.00 0.00 H+0 HETATM 79 H UNK 0 3.884 -3.046 -3.871 0.00 0.00 H+0 HETATM 80 H UNK 0 1.612 -1.512 -3.632 0.00 0.00 H+0 HETATM 81 H UNK 0 0.691 -3.551 -3.062 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.803 -1.877 -2.108 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.673 1.678 -2.869 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.744 0.235 -3.293 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.220 0.784 -1.773 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.814 1.733 -0.408 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.506 -0.169 1.487 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.101 -0.241 0.700 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.553 -2.009 -0.688 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 3 1 CONECT 3 5 2 4 CONECT 4 3 CONECT 5 49 6 3 CONECT 6 7 5 53 CONECT 7 8 6 CONECT 8 43 7 9 54 CONECT 9 8 10 CONECT 10 41 11 9 55 CONECT 11 12 10 CONECT 12 37 11 13 56 CONECT 13 14 12 57 58 CONECT 14 13 15 CONECT 15 35 16 14 59 CONECT 16 17 15 CONECT 17 31 16 18 60 CONECT 18 19 17 61 62 CONECT 19 20 18 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 63 CONECT 23 22 24 64 CONECT 24 25 30 23 CONECT 25 24 26 65 CONECT 26 25 27 66 CONECT 27 29 26 28 CONECT 28 27 67 CONECT 29 27 30 68 CONECT 30 29 24 69 CONECT 31 33 17 32 70 CONECT 32 31 71 CONECT 33 35 31 34 72 CONECT 34 33 73 CONECT 35 15 33 36 74 CONECT 36 35 75 CONECT 37 39 12 38 76 CONECT 38 37 77 CONECT 39 41 37 40 78 CONECT 40 39 79 CONECT 41 10 39 42 80 CONECT 42 41 81 CONECT 43 8 49 44 82 CONECT 44 47 43 45 CONECT 45 44 46 83 84 CONECT 46 45 85 CONECT 47 48 44 86 CONECT 48 49 47 87 88 CONECT 49 5 43 48 89 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 6 CONECT 54 8 CONECT 55 10 CONECT 56 12 CONECT 57 13 CONECT 58 13 CONECT 59 15 CONECT 60 17 CONECT 61 18 CONECT 62 18 CONECT 63 22 CONECT 64 23 CONECT 65 25 CONECT 66 26 CONECT 67 28 CONECT 68 29 CONECT 69 30 CONECT 70 31 CONECT 71 32 CONECT 72 33 CONECT 73 34 CONECT 74 35 CONECT 75 36 CONECT 76 37 CONECT 77 38 CONECT 78 39 CONECT 79 40 CONECT 80 41 CONECT 81 42 CONECT 82 43 CONECT 83 45 CONECT 84 45 CONECT 85 46 CONECT 86 47 CONECT 87 48 CONECT 88 48 CONECT 89 49 MASTER 0 0 0 0 0 0 0 0 89 0 186 0 END