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 7.544 -0.314 -2.865 0.00 0.00 C+0 HETATM 2 C UNK 0 6.690 -1.129 -1.953 0.00 0.00 C+0 HETATM 3 C UNK 0 5.408 -0.492 -1.527 0.00 0.00 C+0 HETATM 4 O UNK 0 4.678 -0.228 -2.726 0.00 0.00 O+0 HETATM 5 C UNK 0 3.462 -0.829 -2.990 0.00 0.00 C+0 HETATM 6 O UNK 0 3.086 -0.997 -4.153 0.00 0.00 O+0 HETATM 7 C UNK 0 2.652 -1.253 -1.844 0.00 0.00 C+0 HETATM 8 C UNK 0 1.169 -1.134 -2.013 0.00 0.00 C+0 HETATM 9 O UNK 0 0.742 0.124 -2.379 0.00 0.00 O+0 HETATM 10 C UNK 0 0.391 -1.665 -0.874 0.00 0.00 C+0 HETATM 11 C UNK 0 1.192 -2.386 0.151 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.729 -0.784 -0.322 0.00 0.00 C+0 HETATM 13 O UNK 0 -1.721 -1.759 0.035 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.836 -1.731 -0.771 0.00 0.00 C+0 HETATM 15 O UNK 0 -2.812 -2.832 -1.658 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.587 -2.385 -2.754 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.504 -3.306 -3.944 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.011 -2.208 -2.358 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.229 -2.329 -0.893 0.00 0.00 C+0 HETATM 20 N UNK 0 -5.582 -3.624 -0.451 0.00 0.00 N+0 HETATM 21 C UNK 0 -4.691 -4.698 -0.621 0.00 0.00 C+0 HETATM 22 C UNK 0 -6.391 -3.719 0.717 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.152 -1.626 -0.117 0.00 0.00 C+0 HETATM 24 O UNK 0 -4.095 -2.314 1.134 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.404 -0.057 0.946 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.640 0.446 1.643 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.492 1.426 0.918 0.00 0.00 C+0 HETATM 28 O UNK 0 -1.682 2.582 0.739 0.00 0.00 O+0 HETATM 29 S UNK 0 -3.986 1.902 1.748 0.00 0.00 S+0 HETATM 30 C UNK 0 -3.911 2.949 3.157 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.685 4.406 2.957 0.00 0.00 C+0 HETATM 32 N UNK 0 -2.478 4.766 2.309 0.00 0.00 N+0 HETATM 33 C UNK 0 -3.759 5.133 4.257 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.863 5.933 4.550 0.00 0.00 O+0 HETATM 35 O UNK 0 -4.811 4.900 5.093 0.00 0.00 O+0 HETATM 36 C UNK 0 0.729 0.915 0.863 0.00 0.00 C+0 HETATM 37 C UNK 0 1.446 1.069 2.180 0.00 0.00 C+0 HETATM 38 C UNK 0 2.358 -0.088 2.517 0.00 0.00 C+0 HETATM 39 C UNK 0 2.099 2.392 2.307 0.00 0.00 C+0 HETATM 40 O UNK 0 1.226 3.316 2.560 0.00 0.00 O+0 HETATM 41 C UNK 0 3.468 2.774 2.206 0.00 0.00 C+0 HETATM 42 C UNK 0 4.235 2.876 1.150 0.00 0.00 C+0 HETATM 43 C UNK 0 3.867 2.623 -0.235 0.00 0.00 C+0 HETATM 44 C UNK 0 2.545 3.277 -0.733 0.00 0.00 C+0 HETATM 45 O UNK 0 4.898 3.167 -1.153 0.00 0.00 O+0 HETATM 46 C UNK 0 4.538 1.818 -1.115 0.00 0.00 C+0 HETATM 47 C UNK 0 5.613 0.832 -0.828 0.00 0.00 C+0 HETATM 48 C UNK 0 6.051 0.709 0.596 0.00 0.00 C+0 HETATM 49 H UNK 0 7.011 0.495 -3.409 0.00 0.00 H+0 HETATM 50 H UNK 0 8.083 -0.965 -3.622 0.00 0.00 H+0 HETATM 51 H UNK 0 8.381 0.209 -2.326 0.00 0.00 H+0 HETATM 52 H UNK 0 6.415 -2.063 -2.526 0.00 0.00 H+0 HETATM 53 H UNK 0 7.283 -1.514 -1.077 0.00 0.00 H+0 HETATM 54 H UNK 0 4.862 -1.147 -0.821 0.00 0.00 H+0 HETATM 55 H UNK 0 2.976 -2.284 -1.591 0.00 0.00 H+0 HETATM 56 H UNK 0 2.958 -0.634 -0.983 0.00 0.00 H+0 HETATM 57 H UNK 0 0.954 -1.776 -2.940 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.076 0.136 -2.931 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.213 -2.526 -1.364 0.00 0.00 H+0 HETATM 60 H UNK 0 2.180 -1.935 0.354 0.00 0.00 H+0 HETATM 61 H UNK 0 1.474 -3.399 -0.298 0.00 0.00 H+0 HETATM 62 H UNK 0 0.586 -2.640 1.010 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.099 -0.135 -1.103 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.691 -0.855 -1.475 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.179 -1.391 -3.097 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.388 -2.764 -4.908 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.723 -4.072 -3.799 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.470 -3.863 -4.011 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.352 -1.211 -2.701 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.628 -2.933 -2.947 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.204 -1.705 -0.713 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.490 -4.921 -1.700 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.794 -4.714 0.019 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.258 -5.635 -0.286 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.433 -3.971 0.374 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.090 -4.550 1.387 0.00 0.00 H+0 HETATM 77 H UNK 0 -6.511 -2.741 1.237 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.450 -0.561 0.100 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.207 -2.713 1.250 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.050 -0.895 1.655 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.294 -0.434 1.921 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.359 0.851 2.662 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.796 1.063 -0.100 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.245 2.642 1.658 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.900 2.848 3.720 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.139 2.559 3.871 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.565 4.810 2.345 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.571 5.492 1.568 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.635 4.867 2.889 0.00 0.00 H+0 HETATM 90 H UNK 0 -5.772 5.024 4.809 0.00 0.00 H+0 HETATM 91 H UNK 0 0.471 1.927 0.522 0.00 0.00 H+0 HETATM 92 H UNK 0 1.484 0.583 0.078 0.00 0.00 H+0 HETATM 93 H UNK 0 0.606 0.975 2.950 0.00 0.00 H+0 HETATM 94 H UNK 0 3.120 -0.283 1.773 0.00 0.00 H+0 HETATM 95 H UNK 0 2.755 0.131 3.531 0.00 0.00 H+0 HETATM 96 H UNK 0 1.722 -0.986 2.624 0.00 0.00 H+0 HETATM 97 H UNK 0 3.970 3.072 3.202 0.00 0.00 H+0 HETATM 98 H UNK 0 5.290 3.187 1.363 0.00 0.00 H+0 HETATM 99 H UNK 0 2.069 3.762 0.120 0.00 0.00 H+0 HETATM 100 H UNK 0 1.959 2.503 -1.248 0.00 0.00 H+0 HETATM 101 H UNK 0 2.736 4.063 -1.492 0.00 0.00 H+0 HETATM 102 H UNK 0 4.015 1.540 -2.089 0.00 0.00 H+0 HETATM 103 H UNK 0 6.537 1.250 -1.366 0.00 0.00 H+0 HETATM 104 H UNK 0 6.834 1.435 0.818 0.00 0.00 H+0 HETATM 105 H UNK 0 5.241 0.645 1.329 0.00 0.00 H+0 HETATM 106 H UNK 0 6.577 -0.297 0.683 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 52 53 CONECT 3 2 4 47 54 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 55 56 CONECT 8 7 9 10 57 CONECT 9 8 58 CONECT 10 8 11 12 59 CONECT 11 10 60 61 62 CONECT 12 10 13 25 63 CONECT 13 12 14 CONECT 14 13 15 23 64 CONECT 15 14 16 CONECT 16 15 17 18 65 CONECT 17 16 66 67 68 CONECT 18 16 19 69 70 CONECT 19 18 20 23 71 CONECT 20 19 21 22 CONECT 21 20 72 73 74 CONECT 22 20 75 76 77 CONECT 23 19 24 14 78 CONECT 24 23 79 CONECT 25 12 26 36 80 CONECT 26 25 27 81 82 CONECT 27 26 28 29 83 CONECT 28 27 84 CONECT 29 27 30 CONECT 30 29 31 85 86 CONECT 31 30 32 33 87 CONECT 32 31 88 89 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 90 CONECT 36 25 37 91 92 CONECT 37 36 38 39 93 CONECT 38 37 94 95 96 CONECT 39 37 40 41 CONECT 40 39 CONECT 41 39 42 97 CONECT 42 41 43 98 CONECT 43 42 44 45 46 CONECT 44 43 99 100 101 CONECT 45 43 46 CONECT 46 45 47 43 102 CONECT 47 46 48 3 103 CONECT 48 47 104 105 106 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 2 CONECT 53 2 CONECT 54 3 CONECT 55 7 CONECT 56 7 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 11 CONECT 61 11 CONECT 62 11 CONECT 63 12 CONECT 64 14 CONECT 65 16 CONECT 66 17 CONECT 67 17 CONECT 68 17 CONECT 69 18 CONECT 70 18 CONECT 71 19 CONECT 72 21 CONECT 73 21 CONECT 74 21 CONECT 75 22 CONECT 76 22 CONECT 77 22 CONECT 78 23 CONECT 79 24 CONECT 80 25 CONECT 81 26 CONECT 82 26 CONECT 83 27 CONECT 84 28 CONECT 85 30 CONECT 86 30 CONECT 87 31 CONECT 88 32 CONECT 89 32 CONECT 90 35 CONECT 91 36 CONECT 92 36 CONECT 93 37 CONECT 94 38 CONECT 95 38 CONECT 96 38 CONECT 97 41 CONECT 98 42 CONECT 99 44 CONECT 100 44 CONECT 101 44 CONECT 102 46 CONECT 103 47 CONECT 104 48 CONECT 105 48 CONECT 106 48 MASTER 0 0 0 0 0 0 0 0 106 0 216 0 END