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 -2.332 -0.331 -3.932 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.638 -0.756 -3.286 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.543 -2.076 -2.566 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.182 -3.050 -3.483 0.00 0.00 O+0 HETATM 5 C UNK 0 -2.503 -1.984 -1.458 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.859 -0.828 -0.536 0.00 0.00 C+0 HETATM 7 O UNK 0 -2.039 -0.752 0.556 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.957 0.098 0.385 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.752 1.227 1.292 0.00 0.00 C+0 HETATM 10 C UNK 0 0.713 1.667 1.398 0.00 0.00 C+0 HETATM 11 N UNK 0 1.101 2.504 0.333 0.00 0.00 N+0 HETATM 12 C UNK 0 0.410 3.757 0.210 0.00 0.00 C+0 HETATM 13 C UNK 0 1.348 1.943 -0.942 0.00 0.00 C+0 HETATM 14 C UNK 0 1.616 0.554 1.776 0.00 0.00 C+0 HETATM 15 O UNK 0 2.787 0.414 1.121 0.00 0.00 O+0 HETATM 16 C UNK 0 3.955 0.572 1.728 0.00 0.00 C+0 HETATM 17 C UNK 0 4.728 -0.766 1.790 0.00 0.00 C+0 HETATM 18 C UNK 0 6.218 -0.465 1.573 0.00 0.00 C+0 HETATM 19 O UNK 0 6.648 0.636 2.273 0.00 0.00 O+0 HETATM 20 C UNK 0 6.288 -0.084 0.086 0.00 0.00 C+0 HETATM 21 O UNK 0 7.577 0.319 -0.154 0.00 0.00 O+0 HETATM 22 C UNK 0 8.290 -0.550 -0.954 0.00 0.00 C+0 HETATM 23 C UNK 0 8.722 0.108 -2.216 0.00 0.00 C+0 HETATM 24 C UNK 0 9.941 0.959 -2.144 0.00 0.00 C+0 HETATM 25 C UNK 0 10.796 0.562 -1.020 0.00 0.00 C+0 HETATM 26 O UNK 0 11.984 0.854 -1.046 0.00 0.00 O+0 HETATM 27 C UNK 0 10.271 -0.177 0.141 0.00 0.00 C+0 HETATM 28 C UNK 0 11.411 -0.880 0.836 0.00 0.00 C+0 HETATM 29 O UNK 0 9.340 -1.154 -0.250 0.00 0.00 O+0 HETATM 30 C UNK 0 5.305 1.010 -0.102 0.00 0.00 C+0 HETATM 31 C UNK 0 5.975 2.163 -0.819 0.00 0.00 C+0 HETATM 32 O UNK 0 4.736 1.514 1.059 0.00 0.00 O+0 HETATM 33 C UNK 0 0.817 -0.726 1.653 0.00 0.00 C+0 HETATM 34 C UNK 0 1.584 -1.966 1.982 0.00 0.00 C+0 HETATM 35 O UNK 0 0.153 -0.769 0.428 0.00 0.00 O+0 HETATM 36 C UNK 0 -4.284 -0.766 -0.229 0.00 0.00 C+0 HETATM 37 C UNK 0 -5.250 -1.491 -0.915 0.00 0.00 C+0 HETATM 38 C UNK 0 -6.588 -1.357 -0.550 0.00 0.00 C+0 HETATM 39 C UNK 0 -6.926 -0.526 0.469 0.00 0.00 C+0 HETATM 40 C UNK 0 -6.008 0.207 1.176 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.686 0.098 0.838 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.700 0.779 1.472 0.00 0.00 O+0 HETATM 43 C UNK 0 -6.443 1.075 2.284 0.00 0.00 C+0 HETATM 44 O UNK 0 -5.638 1.756 2.952 0.00 0.00 O+0 HETATM 45 C UNK 0 -7.870 1.160 2.638 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.253 1.989 3.701 0.00 0.00 C+0 HETATM 47 O UNK 0 -7.284 2.702 4.378 0.00 0.00 O+0 HETATM 48 C UNK 0 -9.578 2.075 4.050 0.00 0.00 C+0 HETATM 49 C UNK 0 -10.512 1.356 3.361 0.00 0.00 C+0 HETATM 50 C UNK 0 -10.125 0.539 2.309 0.00 0.00 C+0 HETATM 51 O UNK 0 -11.095 -0.161 1.648 0.00 0.00 O+0 HETATM 52 C UNK 0 -8.804 0.434 1.939 0.00 0.00 C+0 HETATM 53 C UNK 0 -8.346 -0.419 0.845 0.00 0.00 C+0 HETATM 54 O UNK 0 -9.140 -1.097 0.178 0.00 0.00 O+0 HETATM 55 C UNK 0 -4.863 -2.426 -1.968 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.835 -2.812 -2.967 0.00 0.00 C+0 HETATM 57 O UNK 0 -5.602 -2.578 -4.182 0.00 0.00 O+0 HETATM 58 O UNK 0 -7.062 -3.447 -2.744 0.00 0.00 O+0 HETATM 59 C UNK 0 -7.893 -3.756 -3.844 0.00 0.00 C+0 HETATM 60 H UNK 0 -2.053 -0.921 -4.810 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.471 -0.332 -3.246 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.471 0.753 -4.215 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.462 -0.713 -4.045 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.917 0.054 -2.573 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.259 -2.909 -3.836 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.535 -1.788 -1.904 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.501 -2.914 -0.919 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.574 0.065 -1.176 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.000 0.465 -0.692 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.388 2.105 1.016 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.064 0.992 2.329 0.00 0.00 H+0 HETATM 72 H UNK 0 0.664 2.382 2.294 0.00 0.00 H+0 HETATM 73 H UNK 0 0.149 4.094 1.245 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.498 3.660 -0.421 0.00 0.00 H+0 HETATM 75 H UNK 0 1.085 4.495 -0.229 0.00 0.00 H+0 HETATM 76 H UNK 0 2.149 2.592 -1.425 0.00 0.00 H+0 HETATM 77 H UNK 0 1.790 0.936 -0.946 0.00 0.00 H+0 HETATM 78 H UNK 0 0.499 2.031 -1.672 0.00 0.00 H+0 HETATM 79 H UNK 0 1.864 0.691 2.852 0.00 0.00 H+0 HETATM 80 H UNK 0 3.945 0.892 2.789 0.00 0.00 H+0 HETATM 81 H UNK 0 4.654 -1.238 2.772 0.00 0.00 H+0 HETATM 82 H UNK 0 4.435 -1.445 0.977 0.00 0.00 H+0 HETATM 83 H UNK 0 6.810 -1.347 1.780 0.00 0.00 H+0 HETATM 84 H UNK 0 5.985 0.953 2.924 0.00 0.00 H+0 HETATM 85 H UNK 0 6.063 -1.030 -0.472 0.00 0.00 H+0 HETATM 86 H UNK 0 7.614 -1.399 -1.230 0.00 0.00 H+0 HETATM 87 H UNK 0 7.887 0.750 -2.581 0.00 0.00 H+0 HETATM 88 H UNK 0 8.875 -0.686 -2.991 0.00 0.00 H+0 HETATM 89 H UNK 0 10.554 0.767 -3.080 0.00 0.00 H+0 HETATM 90 H UNK 0 9.708 2.053 -2.096 0.00 0.00 H+0 HETATM 91 H UNK 0 9.800 0.564 0.833 0.00 0.00 H+0 HETATM 92 H UNK 0 11.162 -1.016 1.917 0.00 0.00 H+0 HETATM 93 H UNK 0 11.627 -1.877 0.385 0.00 0.00 H+0 HETATM 94 H UNK 0 12.365 -0.298 0.726 0.00 0.00 H+0 HETATM 95 H UNK 0 4.512 0.630 -0.805 0.00 0.00 H+0 HETATM 96 H UNK 0 5.961 2.024 -1.939 0.00 0.00 H+0 HETATM 97 H UNK 0 5.476 3.137 -0.654 0.00 0.00 H+0 HETATM 98 H UNK 0 7.033 2.295 -0.509 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.019 -0.705 2.418 0.00 0.00 H+0 HETATM 100 H UNK 0 2.239 -2.359 1.216 0.00 0.00 H+0 HETATM 101 H UNK 0 2.241 -1.732 2.874 0.00 0.00 H+0 HETATM 102 H UNK 0 0.878 -2.740 2.355 0.00 0.00 H+0 HETATM 103 H UNK 0 -7.298 -1.938 -1.117 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.748 1.403 2.197 0.00 0.00 H+0 HETATM 105 H UNK 0 -7.476 3.312 5.152 0.00 0.00 H+0 HETATM 106 H UNK 0 -9.877 2.710 4.871 0.00 0.00 H+0 HETATM 107 H UNK 0 -11.544 1.415 3.625 0.00 0.00 H+0 HETATM 108 H UNK 0 -11.096 -0.768 0.915 0.00 0.00 H+0 HETATM 109 H UNK 0 -4.643 -3.410 -1.379 0.00 0.00 H+0 HETATM 110 H UNK 0 -8.417 -4.702 -3.693 0.00 0.00 H+0 HETATM 111 H UNK 0 -8.569 -2.919 -4.109 0.00 0.00 H+0 HETATM 112 H UNK 0 -7.269 -3.913 -4.774 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 63 64 CONECT 3 2 4 5 55 CONECT 4 3 65 CONECT 5 3 6 66 67 CONECT 6 5 7 36 68 CONECT 7 6 8 CONECT 8 7 9 35 69 CONECT 9 8 10 70 71 CONECT 10 9 11 14 72 CONECT 11 10 12 13 CONECT 12 11 73 74 75 CONECT 13 11 76 77 78 CONECT 14 10 15 33 79 CONECT 15 14 16 CONECT 16 15 17 32 80 CONECT 17 16 18 81 82 CONECT 18 17 19 20 83 CONECT 19 18 84 CONECT 20 18 21 30 85 CONECT 21 20 22 CONECT 22 21 23 29 86 CONECT 23 22 24 87 88 CONECT 24 23 25 89 90 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 91 CONECT 28 27 92 93 94 CONECT 29 27 22 CONECT 30 20 31 32 95 CONECT 31 30 96 97 98 CONECT 32 30 16 CONECT 33 14 34 35 99 CONECT 34 33 100 101 102 CONECT 35 33 8 CONECT 36 6 37 41 CONECT 37 36 38 55 CONECT 38 37 39 103 CONECT 39 38 40 53 CONECT 40 39 41 43 CONECT 41 40 42 36 CONECT 42 41 104 CONECT 43 40 44 45 CONECT 44 43 CONECT 45 43 46 52 CONECT 46 45 47 48 CONECT 47 46 105 CONECT 48 46 49 106 CONECT 49 48 50 107 CONECT 50 49 51 52 CONECT 51 50 108 CONECT 52 50 53 45 CONECT 53 52 54 39 CONECT 54 53 CONECT 55 37 56 3 109 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 CONECT 59 58 110 111 112 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 2 CONECT 64 2 CONECT 65 4 CONECT 66 5 CONECT 67 5 CONECT 68 6 CONECT 69 8 CONECT 70 9 CONECT 71 9 CONECT 72 10 CONECT 73 12 CONECT 74 12 CONECT 75 12 CONECT 76 13 CONECT 77 13 CONECT 78 13 CONECT 79 14 CONECT 80 16 CONECT 81 17 CONECT 82 17 CONECT 83 18 CONECT 84 19 CONECT 85 20 CONECT 86 22 CONECT 87 23 CONECT 88 23 CONECT 89 24 CONECT 90 24 CONECT 91 27 CONECT 92 28 CONECT 93 28 CONECT 94 28 CONECT 95 30 CONECT 96 31 CONECT 97 31 CONECT 98 31 CONECT 99 33 CONECT 100 34 CONECT 101 34 CONECT 102 34 CONECT 103 38 CONECT 104 42 CONECT 105 47 CONECT 106 48 CONECT 107 49 CONECT 108 51 CONECT 109 55 CONECT 110 59 CONECT 111 59 CONECT 112 59 MASTER 0 0 0 0 0 0 0 0 112 0 236 0 END