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 0.208 -2.026 2.426 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.530 -2.616 1.279 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.566 -1.746 0.032 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.319 -2.518 -0.892 0.00 0.00 O+0 HETATM 5 C UNK 0 0.778 -1.620 -0.562 0.00 0.00 C+0 HETATM 6 C UNK 0 1.553 -0.431 -0.039 0.00 0.00 C+0 HETATM 7 O UNK 0 2.688 -0.328 -0.830 0.00 0.00 O+0 HETATM 8 C UNK 0 3.822 -0.463 -0.056 0.00 0.00 C+0 HETATM 9 C UNK 0 4.601 -1.730 -0.383 0.00 0.00 C+0 HETATM 10 C UNK 0 5.582 -1.903 0.734 0.00 0.00 C+0 HETATM 11 N UNK 0 6.300 -3.144 0.678 0.00 0.00 N+0 HETATM 12 C UNK 0 7.231 -3.286 1.768 0.00 0.00 C+0 HETATM 13 C UNK 0 5.329 -4.225 0.802 0.00 0.00 C+0 HETATM 14 C UNK 0 6.479 -0.700 0.764 0.00 0.00 C+0 HETATM 15 O UNK 0 7.276 -0.605 -0.369 0.00 0.00 O+0 HETATM 16 C UNK 0 5.653 0.559 0.911 0.00 0.00 C+0 HETATM 17 C UNK 0 6.514 1.798 0.959 0.00 0.00 C+0 HETATM 18 O UNK 0 4.650 0.648 -0.038 0.00 0.00 O+0 HETATM 19 C UNK 0 0.742 0.804 -0.242 0.00 0.00 C+0 HETATM 20 C UNK 0 1.355 1.989 -0.575 0.00 0.00 C+0 HETATM 21 C UNK 0 0.687 3.175 -0.764 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.676 3.152 -0.604 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.343 1.970 -0.265 0.00 0.00 C+0 HETATM 24 O UNK 0 -2.672 1.920 -0.100 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.612 0.770 -0.082 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.329 -0.447 0.262 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.530 -0.576 -0.433 0.00 0.00 O+0 HETATM 28 C UNK 0 -3.634 -0.828 0.374 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.838 -0.122 -0.046 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.091 -0.948 -0.196 0.00 0.00 C+0 HETATM 31 N UNK 0 -6.365 -1.270 -1.570 0.00 0.00 N+0 HETATM 32 C UNK 0 -5.412 -2.055 -2.236 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.735 -1.549 -1.859 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.150 -2.129 0.726 0.00 0.00 C+0 HETATM 35 O UNK 0 -6.778 -3.188 0.073 0.00 0.00 O+0 HETATM 36 C UNK 0 -4.799 -2.566 1.224 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.829 -4.073 1.373 0.00 0.00 C+0 HETATM 38 O UNK 0 -3.816 -2.255 0.294 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.447 4.396 -0.792 0.00 0.00 C+0 HETATM 40 O UNK 0 -2.677 4.384 -0.650 0.00 0.00 O+0 HETATM 41 C UNK 0 -0.723 5.620 -1.147 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.447 6.765 -1.319 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.815 6.742 -1.158 0.00 0.00 O+0 HETATM 44 C UNK 0 -0.782 7.924 -1.652 0.00 0.00 C+0 HETATM 45 C UNK 0 0.589 7.928 -1.809 0.00 0.00 C+0 HETATM 46 C UNK 0 1.331 6.783 -1.639 0.00 0.00 C+0 HETATM 47 O UNK 0 2.704 6.739 -1.786 0.00 0.00 O+0 HETATM 48 C UNK 0 0.644 5.621 -1.303 0.00 0.00 C+0 HETATM 49 C UNK 0 1.415 4.397 -1.118 0.00 0.00 C+0 HETATM 50 O UNK 0 2.658 4.388 -1.257 0.00 0.00 O+0 HETATM 51 H UNK 0 -0.201 -2.466 3.375 0.00 0.00 H+0 HETATM 52 H UNK 0 1.259 -2.377 2.397 0.00 0.00 H+0 HETATM 53 H UNK 0 0.098 -0.933 2.545 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.532 -2.971 1.587 0.00 0.00 H+0 HETATM 55 H UNK 0 0.003 -3.557 0.954 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.227 -2.094 -1.795 0.00 0.00 H+0 HETATM 57 H UNK 0 0.765 -1.561 -1.682 0.00 0.00 H+0 HETATM 58 H UNK 0 1.360 -2.530 -0.308 0.00 0.00 H+0 HETATM 59 H UNK 0 1.864 -0.555 0.998 0.00 0.00 H+0 HETATM 60 H UNK 0 3.507 -0.613 0.997 0.00 0.00 H+0 HETATM 61 H UNK 0 5.063 -1.688 -1.380 0.00 0.00 H+0 HETATM 62 H UNK 0 3.894 -2.584 -0.376 0.00 0.00 H+0 HETATM 63 H UNK 0 4.989 -1.881 1.689 0.00 0.00 H+0 HETATM 64 H UNK 0 6.770 -3.058 2.754 0.00 0.00 H+0 HETATM 65 H UNK 0 7.524 -4.355 1.812 0.00 0.00 H+0 HETATM 66 H UNK 0 8.134 -2.701 1.569 0.00 0.00 H+0 HETATM 67 H UNK 0 5.862 -5.172 1.068 0.00 0.00 H+0 HETATM 68 H UNK 0 4.810 -4.389 -0.150 0.00 0.00 H+0 HETATM 69 H UNK 0 4.621 -3.966 1.607 0.00 0.00 H+0 HETATM 70 H UNK 0 7.161 -0.827 1.632 0.00 0.00 H+0 HETATM 71 H UNK 0 7.116 0.209 -0.889 0.00 0.00 H+0 HETATM 72 H UNK 0 5.149 0.489 1.898 0.00 0.00 H+0 HETATM 73 H UNK 0 6.659 2.266 -0.027 0.00 0.00 H+0 HETATM 74 H UNK 0 7.468 1.534 1.458 0.00 0.00 H+0 HETATM 75 H UNK 0 6.033 2.581 1.601 0.00 0.00 H+0 HETATM 76 H UNK 0 2.424 2.019 -0.705 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.467 2.431 -0.121 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.630 -0.414 1.352 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.305 -0.726 1.423 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.017 0.742 0.661 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.723 0.388 -1.049 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.933 -0.278 0.110 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.787 -2.215 -3.291 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.410 -1.661 -2.336 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.321 -3.109 -1.838 0.00 0.00 H+0 HETATM 86 H UNK 0 -8.434 -1.387 -1.031 0.00 0.00 H+0 HETATM 87 H UNK 0 -8.046 -0.917 -2.723 0.00 0.00 H+0 HETATM 88 H UNK 0 -7.775 -2.604 -2.257 0.00 0.00 H+0 HETATM 89 H UNK 0 -6.766 -1.927 1.641 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.447 -3.637 0.622 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.593 -2.138 2.217 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.709 -4.410 1.965 0.00 0.00 H+0 HETATM 93 H UNK 0 -4.767 -4.589 0.387 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.888 -4.380 1.910 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.347 7.591 -1.286 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.345 8.828 -1.789 0.00 0.00 H+0 HETATM 97 H UNK 0 1.092 8.856 -2.073 0.00 0.00 H+0 HETATM 98 H UNK 0 3.168 7.610 -2.033 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 1 3 54 55 CONECT 3 2 4 5 26 CONECT 4 3 56 CONECT 5 3 6 57 58 CONECT 6 5 7 19 59 CONECT 7 6 8 CONECT 8 7 9 18 60 CONECT 9 8 10 61 62 CONECT 10 9 11 14 63 CONECT 11 10 12 13 CONECT 12 11 64 65 66 CONECT 13 11 67 68 69 CONECT 14 10 15 16 70 CONECT 15 14 71 CONECT 16 14 17 18 72 CONECT 17 16 73 74 75 CONECT 18 16 8 CONECT 19 6 20 25 CONECT 20 19 21 76 CONECT 21 20 22 49 CONECT 22 21 23 39 CONECT 23 22 24 25 CONECT 24 23 77 CONECT 25 23 26 19 CONECT 26 25 27 3 78 CONECT 27 26 28 CONECT 28 27 29 38 79 CONECT 29 28 30 80 81 CONECT 30 29 31 34 82 CONECT 31 30 32 33 CONECT 32 31 83 84 85 CONECT 33 31 86 87 88 CONECT 34 30 35 36 89 CONECT 35 34 90 CONECT 36 34 37 38 91 CONECT 37 36 92 93 94 CONECT 38 36 28 CONECT 39 22 40 41 CONECT 40 39 CONECT 41 39 42 48 CONECT 42 41 43 44 CONECT 43 42 95 CONECT 44 42 45 96 CONECT 45 44 46 97 CONECT 46 45 47 48 CONECT 47 46 98 CONECT 48 46 49 41 CONECT 49 48 50 21 CONECT 50 49 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 2 CONECT 55 2 CONECT 56 4 CONECT 57 5 CONECT 58 5 CONECT 59 6 CONECT 60 8 CONECT 61 9 CONECT 62 9 CONECT 63 10 CONECT 64 12 CONECT 65 12 CONECT 66 12 CONECT 67 13 CONECT 68 13 CONECT 69 13 CONECT 70 14 CONECT 71 15 CONECT 72 16 CONECT 73 17 CONECT 74 17 CONECT 75 17 CONECT 76 20 CONECT 77 24 CONECT 78 26 CONECT 79 28 CONECT 80 29 CONECT 81 29 CONECT 82 30 CONECT 83 32 CONECT 84 32 CONECT 85 32 CONECT 86 33 CONECT 87 33 CONECT 88 33 CONECT 89 34 CONECT 90 35 CONECT 91 36 CONECT 92 37 CONECT 93 37 CONECT 94 37 CONECT 95 43 CONECT 96 44 CONECT 97 45 CONECT 98 47 MASTER 0 0 0 0 0 0 0 0 98 0 206 0 END