HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -6.377 0.722 -3.854 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.814 -0.474 -4.497 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.125 -1.445 -3.627 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.906 -0.978 -2.951 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.048 0.067 -1.954 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.889 -0.206 -0.752 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.652 0.536 -1.420 0.00 0.00 C+0 HETATM 8 O UNK 0 -3.069 1.577 -0.507 0.00 0.00 O+0 HETATM 9 C UNK 0 -3.113 2.907 -0.862 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.744 3.130 -2.079 0.00 0.00 O+0 HETATM 11 C UNK 0 -3.514 4.053 -0.061 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.103 4.121 1.357 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.615 5.393 2.003 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.068 5.476 1.994 0.00 0.00 C+0 HETATM 15 O UNK 0 -5.876 4.623 1.599 0.00 0.00 O+0 HETATM 16 O UNK 0 -5.631 6.670 2.497 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.570 3.000 2.196 0.00 0.00 C+0 HETATM 18 O UNK 0 -4.404 3.175 3.153 0.00 0.00 O+0 HETATM 19 O UNK 0 -3.148 1.696 2.018 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.842 -0.506 -0.822 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.389 -0.411 -0.615 0.00 0.00 C+0 HETATM 22 C UNK 0 0.262 0.603 0.225 0.00 0.00 C+0 HETATM 23 C UNK 0 0.040 1.982 -0.299 0.00 0.00 C+0 HETATM 24 C UNK 0 1.743 0.290 0.221 0.00 0.00 C+0 HETATM 25 C UNK 0 2.611 1.143 1.046 0.00 0.00 C+0 HETATM 26 O UNK 0 2.676 2.476 0.806 0.00 0.00 O+0 HETATM 27 C UNK 0 3.989 0.496 1.147 0.00 0.00 C+0 HETATM 28 C UNK 0 4.642 0.322 -0.175 0.00 0.00 C+0 HETATM 29 C UNK 0 6.004 -0.321 -0.060 0.00 0.00 C+0 HETATM 30 C UNK 0 6.952 0.478 0.779 0.00 0.00 C+0 HETATM 31 C UNK 0 8.315 -0.163 0.884 0.00 0.00 C+0 HETATM 32 C UNK 0 8.985 -0.327 -0.444 0.00 0.00 C+0 HETATM 33 C UNK 0 10.338 -0.970 -0.286 0.00 0.00 C+0 HETATM 34 O UNK 0 10.874 -1.077 -1.576 0.00 0.00 O+0 HETATM 35 C UNK 0 11.258 -0.097 0.568 0.00 0.00 C+0 HETATM 36 N UNK 0 11.376 1.228 -0.002 0.00 0.00 N+0 HETATM 37 O UNK 0 -2.478 -1.125 0.321 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.836 -2.425 0.452 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.587 -3.191 -0.504 0.00 0.00 O+0 HETATM 40 C UNK 0 -3.506 -2.960 1.678 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.666 -4.464 1.602 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.342 -5.176 1.510 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.519 -6.646 1.397 0.00 0.00 C+0 HETATM 44 O UNK 0 -1.565 -7.445 1.700 0.00 0.00 O+0 HETATM 45 O UNK 0 -3.675 -7.277 0.971 0.00 0.00 O+0 HETATM 46 C UNK 0 -4.337 -4.899 2.848 0.00 0.00 C+0 HETATM 47 O UNK 0 -4.656 -4.042 3.699 0.00 0.00 O+0 HETATM 48 O UNK 0 -4.614 -6.218 3.085 0.00 0.00 O+0 HETATM 49 H UNK 0 -5.822 1.682 -4.072 0.00 0.00 H+0 HETATM 50 H UNK 0 -7.386 0.958 -4.392 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.705 0.617 -2.817 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.105 -0.126 -5.321 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.587 -1.042 -5.104 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.827 -1.838 -2.810 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.819 -2.348 -4.249 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.316 -1.886 -2.651 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.204 -0.536 -3.766 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.429 1.014 -2.425 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.798 0.475 -0.713 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.359 0.054 0.190 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.227 -1.256 -0.652 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.272 1.065 -2.319 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.624 4.257 -0.151 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.090 4.977 -0.600 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.975 4.132 1.441 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.180 5.393 3.033 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.217 6.261 1.418 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.725 7.489 1.904 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.684 0.916 2.322 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.896 -1.416 -1.545 0.00 0.00 H+0 HETATM 71 H UNK 0 0.163 -0.379 -1.621 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.060 -1.457 -0.272 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.024 0.529 1.315 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.527 2.639 0.345 0.00 0.00 H+0 HETATM 75 H UNK 0 0.993 2.546 -0.540 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.444 1.947 -1.321 0.00 0.00 H+0 HETATM 77 H UNK 0 2.132 0.346 -0.844 0.00 0.00 H+0 HETATM 78 H UNK 0 1.900 -0.804 0.473 0.00 0.00 H+0 HETATM 79 H UNK 0 2.217 1.052 2.113 0.00 0.00 H+0 HETATM 80 H UNK 0 2.563 3.060 1.596 0.00 0.00 H+0 HETATM 81 H UNK 0 3.886 -0.490 1.642 0.00 0.00 H+0 HETATM 82 H UNK 0 4.644 1.115 1.793 0.00 0.00 H+0 HETATM 83 H UNK 0 4.814 1.304 -0.695 0.00 0.00 H+0 HETATM 84 H UNK 0 4.067 -0.293 -0.891 0.00 0.00 H+0 HETATM 85 H UNK 0 6.427 -0.580 -1.036 0.00 0.00 H+0 HETATM 86 H UNK 0 5.821 -1.301 0.474 0.00 0.00 H+0 HETATM 87 H UNK 0 7.041 1.504 0.421 0.00 0.00 H+0 HETATM 88 H UNK 0 6.580 0.544 1.844 0.00 0.00 H+0 HETATM 89 H UNK 0 8.289 -1.109 1.448 0.00 0.00 H+0 HETATM 90 H UNK 0 8.951 0.543 1.494 0.00 0.00 H+0 HETATM 91 H UNK 0 9.147 0.671 -0.912 0.00 0.00 H+0 HETATM 92 H UNK 0 8.409 -1.001 -1.122 0.00 0.00 H+0 HETATM 93 H UNK 0 10.242 -1.961 0.165 0.00 0.00 H+0 HETATM 94 H UNK 0 10.577 -0.280 -2.078 0.00 0.00 H+0 HETATM 95 H UNK 0 12.278 -0.580 0.553 0.00 0.00 H+0 HETATM 96 H UNK 0 10.887 -0.025 1.587 0.00 0.00 H+0 HETATM 97 H UNK 0 12.262 1.702 0.268 0.00 0.00 H+0 HETATM 98 H UNK 0 10.605 1.863 0.365 0.00 0.00 H+0 HETATM 99 H UNK 0 -4.523 -2.544 1.802 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.863 -2.733 2.551 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.339 -4.731 0.764 0.00 0.00 H+0 HETATM 102 H UNK 0 -1.779 -5.041 2.495 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.646 -4.789 0.764 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.374 -6.864 0.374 0.00 0.00 H+0 HETATM 105 H UNK 0 -5.456 -6.562 3.554 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 52 53 CONECT 3 2 4 54 55 CONECT 4 3 5 56 57 CONECT 5 4 6 7 58 CONECT 6 5 59 60 61 CONECT 7 5 8 20 62 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 63 64 CONECT 12 11 13 17 65 CONECT 13 12 14 66 67 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 68 CONECT 17 12 18 19 CONECT 18 17 CONECT 19 17 69 CONECT 20 7 21 37 70 CONECT 21 20 22 71 72 CONECT 22 21 23 24 73 CONECT 23 22 74 75 76 CONECT 24 22 25 77 78 CONECT 25 24 26 27 79 CONECT 26 25 80 CONECT 27 25 28 81 82 CONECT 28 27 29 83 84 CONECT 29 28 30 85 86 CONECT 30 29 31 87 88 CONECT 31 30 32 89 90 CONECT 32 31 33 91 92 CONECT 33 32 34 35 93 CONECT 34 33 94 CONECT 35 33 36 95 96 CONECT 36 35 97 98 CONECT 37 20 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 99 100 CONECT 41 40 42 46 101 CONECT 42 41 43 102 103 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 104 CONECT 46 41 47 48 CONECT 47 46 CONECT 48 46 105 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 2 CONECT 53 2 CONECT 54 3 CONECT 55 3 CONECT 56 4 CONECT 57 4 CONECT 58 5 CONECT 59 6 CONECT 60 6 CONECT 61 6 CONECT 62 7 CONECT 63 11 CONECT 64 11 CONECT 65 12 CONECT 66 13 CONECT 67 13 CONECT 68 16 CONECT 69 19 CONECT 70 20 CONECT 71 21 CONECT 72 21 CONECT 73 22 CONECT 74 23 CONECT 75 23 CONECT 76 23 CONECT 77 24 CONECT 78 24 CONECT 79 25 CONECT 80 26 CONECT 81 27 CONECT 82 27 CONECT 83 28 CONECT 84 28 CONECT 85 29 CONECT 86 29 CONECT 87 30 CONECT 88 30 CONECT 89 31 CONECT 90 31 CONECT 91 32 CONECT 92 32 CONECT 93 33 CONECT 94 34 CONECT 95 35 CONECT 96 35 CONECT 97 36 CONECT 98 36 CONECT 99 40 CONECT 100 40 CONECT 101 41 CONECT 102 42 CONECT 103 42 CONECT 104 45 CONECT 105 48 MASTER 0 0 0 0 0 0 0 0 105 0 208 0 END