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 8.453 -2.716 -0.800 0.00 0.00 C+0 HETATM 2 C UNK 0 7.590 -2.978 -2.025 0.00 0.00 C+0 HETATM 3 C UNK 0 6.287 -3.666 -1.657 0.00 0.00 C+0 HETATM 4 C UNK 0 5.461 -2.843 -0.721 0.00 0.00 C+0 HETATM 5 C UNK 0 5.116 -1.487 -1.351 0.00 0.00 C+0 HETATM 6 C UNK 0 4.277 -0.728 -0.426 0.00 0.00 C+0 HETATM 7 O UNK 0 3.888 -1.325 0.645 0.00 0.00 O+0 HETATM 8 N UNK 0 3.869 0.578 -0.616 0.00 0.00 N+0 HETATM 9 C UNK 0 3.008 1.309 0.316 0.00 0.00 C+0 HETATM 10 C UNK 0 1.757 1.717 -0.398 0.00 0.00 C+0 HETATM 11 O UNK 0 1.918 2.190 -1.542 0.00 0.00 O+0 HETATM 12 N UNK 0 0.543 1.533 0.237 0.00 0.00 N+0 HETATM 13 C UNK 0 -0.766 1.864 -0.349 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.665 1.950 -1.840 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.929 2.259 -2.544 0.00 0.00 C+0 HETATM 16 S UNK 0 -2.712 3.755 -1.976 0.00 0.00 S+0 HETATM 17 C UNK 0 -4.204 4.056 -2.882 0.00 0.00 C+0 HETATM 18 O UNK 0 -3.095 3.678 -0.531 0.00 0.00 O+0 HETATM 19 O UNK 0 -1.793 4.931 -2.171 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.735 1.035 0.283 0.00 0.00 C+0 HETATM 21 O UNK 0 -1.251 0.412 1.371 0.00 0.00 O+0 HETATM 22 N UNK 0 -3.050 0.700 0.067 0.00 0.00 N+0 HETATM 23 C UNK 0 -3.737 -0.290 1.056 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.959 0.438 1.412 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.802 -0.141 2.484 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.401 -1.462 2.411 0.00 0.00 C+0 HETATM 27 C UNK 0 -4.979 -0.084 3.789 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.706 -1.503 0.312 0.00 0.00 C+0 HETATM 29 O UNK 0 -2.566 -1.634 -0.316 0.00 0.00 O+0 HETATM 30 C UNK 0 -4.547 -2.648 0.016 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.090 -4.037 0.514 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.785 -2.648 -0.718 0.00 0.00 C+0 HETATM 33 O UNK 0 -4.667 -2.702 -1.501 0.00 0.00 O+0 HETATM 34 C UNK 0 3.780 2.451 0.903 0.00 0.00 C+0 HETATM 35 C UNK 0 2.910 3.223 1.844 0.00 0.00 C+0 HETATM 36 C UNK 0 4.879 1.795 1.750 0.00 0.00 C+0 HETATM 37 H UNK 0 9.425 -2.329 -1.149 0.00 0.00 H+0 HETATM 38 H UNK 0 8.691 -3.689 -0.299 0.00 0.00 H+0 HETATM 39 H UNK 0 7.973 -2.006 -0.114 0.00 0.00 H+0 HETATM 40 H UNK 0 8.141 -3.690 -2.661 0.00 0.00 H+0 HETATM 41 H UNK 0 7.476 -2.053 -2.576 0.00 0.00 H+0 HETATM 42 H UNK 0 5.765 -3.932 -2.592 0.00 0.00 H+0 HETATM 43 H UNK 0 6.586 -4.593 -1.077 0.00 0.00 H+0 HETATM 44 H UNK 0 6.048 -2.593 0.202 0.00 0.00 H+0 HETATM 45 H UNK 0 4.545 -3.349 -0.382 0.00 0.00 H+0 HETATM 46 H UNK 0 4.565 -1.663 -2.306 0.00 0.00 H+0 HETATM 47 H UNK 0 6.087 -0.951 -1.530 0.00 0.00 H+0 HETATM 48 H UNK 0 4.176 1.104 -1.469 0.00 0.00 H+0 HETATM 49 H UNK 0 2.747 0.618 1.144 0.00 0.00 H+0 HETATM 50 H UNK 0 0.507 1.141 1.216 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.829 2.997 -0.073 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.030 2.904 -2.024 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.085 1.173 -2.318 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.585 2.536 -3.630 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.650 1.478 -2.693 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.092 3.817 -3.948 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.050 3.415 -2.496 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.543 5.118 -2.763 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.649 1.030 -0.685 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.999 -0.323 1.861 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.581 0.715 0.504 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.714 1.481 1.792 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.647 0.595 2.696 0.00 0.00 H+0 HETATM 64 H UNK 0 -7.056 -1.615 1.539 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.749 -2.345 2.511 0.00 0.00 H+0 HETATM 66 H UNK 0 -7.086 -1.546 3.331 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.703 -0.261 4.612 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.279 -0.958 3.789 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.474 0.873 3.863 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.568 -4.827 -0.107 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.469 -4.158 1.533 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.981 -4.091 0.453 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.405 -1.721 -0.711 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.413 -3.543 -0.780 0.00 0.00 H+0 HETATM 75 H UNK 0 4.255 3.083 0.118 0.00 0.00 H+0 HETATM 76 H UNK 0 3.019 2.795 2.860 0.00 0.00 H+0 HETATM 77 H UNK 0 3.191 4.316 1.858 0.00 0.00 H+0 HETATM 78 H UNK 0 1.823 3.176 1.572 0.00 0.00 H+0 HETATM 79 H UNK 0 5.553 2.547 2.209 0.00 0.00 H+0 HETATM 80 H UNK 0 5.395 1.087 1.105 0.00 0.00 H+0 HETATM 81 H UNK 0 4.373 1.256 2.567 0.00 0.00 H+0 CONECT 1 2 37 38 39 CONECT 2 1 3 40 41 CONECT 3 2 4 42 43 CONECT 4 3 5 44 45 CONECT 5 4 6 46 47 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 48 CONECT 9 8 10 34 49 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 50 CONECT 13 12 14 20 51 CONECT 14 13 15 52 53 CONECT 15 14 16 54 55 CONECT 16 15 17 18 19 CONECT 17 16 56 57 58 CONECT 18 16 CONECT 19 16 CONECT 20 13 21 22 CONECT 21 20 CONECT 22 20 23 59 CONECT 23 22 24 28 60 CONECT 24 23 25 61 62 CONECT 25 24 26 27 63 CONECT 26 25 64 65 66 CONECT 27 25 67 68 69 CONECT 28 23 29 30 CONECT 29 28 CONECT 30 28 31 32 33 CONECT 31 30 70 71 72 CONECT 32 30 33 73 74 CONECT 33 32 30 CONECT 34 9 35 36 75 CONECT 35 34 76 77 78 CONECT 36 34 79 80 81 CONECT 37 1 CONECT 38 1 CONECT 39 1 CONECT 40 2 CONECT 41 2 CONECT 42 3 CONECT 43 3 CONECT 44 4 CONECT 45 4 CONECT 46 5 CONECT 47 5 CONECT 48 8 CONECT 49 9 CONECT 50 12 CONECT 51 13 CONECT 52 14 CONECT 53 14 CONECT 54 15 CONECT 55 15 CONECT 56 17 CONECT 57 17 CONECT 58 17 CONECT 59 22 CONECT 60 23 CONECT 61 24 CONECT 62 24 CONECT 63 25 CONECT 64 26 CONECT 65 26 CONECT 66 26 CONECT 67 27 CONECT 68 27 CONECT 69 27 CONECT 70 31 CONECT 71 31 CONECT 72 31 CONECT 73 32 CONECT 74 32 CONECT 75 34 CONECT 76 35 CONECT 77 35 CONECT 78 35 CONECT 79 36 CONECT 80 36 CONECT 81 36 MASTER 0 0 0 0 0 0 0 0 81 0 162 0 END