HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -0.243 4.751 0.086 0.00 0.00 C+0 HETATM 2 O UNK 0 0.180 4.977 1.427 0.00 0.00 O+0 HETATM 3 C UNK 0 0.079 3.916 2.290 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.348 2.627 1.968 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.391 1.623 2.952 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.879 0.289 2.574 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.386 -0.862 3.059 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.839 -2.192 2.598 0.00 0.00 C+0 HETATM 9 O UNK 0 -0.184 -3.206 2.789 0.00 0.00 O+0 HETATM 10 O UNK 0 -2.018 -2.109 1.942 0.00 0.00 O+0 HETATM 11 C UNK 0 -2.356 -3.256 1.140 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.281 -2.773 0.013 0.00 0.00 C+0 HETATM 13 O UNK 0 -2.665 -1.672 -0.686 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.145 -2.142 -1.962 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.972 -1.356 -3.015 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.944 0.050 -2.736 0.00 0.00 O+0 HETATM 17 O UNK 0 -0.757 -1.813 -1.959 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.061 -1.973 -3.191 0.00 0.00 C+0 HETATM 19 O UNK 0 -0.053 -0.752 -3.935 0.00 0.00 O+0 HETATM 20 C UNK 0 0.485 0.351 -3.181 0.00 0.00 C+0 HETATM 21 C UNK 0 0.466 1.601 -4.083 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.873 1.978 -4.455 0.00 0.00 O+0 HETATM 23 C UNK 0 -1.577 2.650 -3.505 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.936 3.009 -4.022 0.00 0.00 C+0 HETATM 25 O UNK 0 -1.150 2.968 -2.401 0.00 0.00 O+0 HETATM 26 C UNK 0 1.926 0.097 -2.682 0.00 0.00 C+0 HETATM 27 O UNK 0 2.197 1.117 -1.682 0.00 0.00 O+0 HETATM 28 C UNK 0 3.490 1.353 -1.368 0.00 0.00 C+0 HETATM 29 O UNK 0 4.450 0.765 -1.838 0.00 0.00 O+0 HETATM 30 C UNK 0 3.539 2.409 -0.343 0.00 0.00 C+0 HETATM 31 C UNK 0 4.723 2.861 0.095 0.00 0.00 C+0 HETATM 32 C UNK 0 4.854 3.910 1.113 0.00 0.00 C+0 HETATM 33 C UNK 0 4.059 3.926 2.267 0.00 0.00 C+0 HETATM 34 C UNK 0 4.222 4.927 3.229 0.00 0.00 C+0 HETATM 35 C UNK 0 5.187 5.909 3.039 0.00 0.00 C+0 HETATM 36 O UNK 0 5.371 6.907 3.949 0.00 0.00 O+0 HETATM 37 C UNK 0 5.998 5.898 1.912 0.00 0.00 C+0 HETATM 38 C UNK 0 5.836 4.896 0.952 0.00 0.00 C+0 HETATM 39 C UNK 0 2.090 -1.310 -2.074 0.00 0.00 C+0 HETATM 40 O UNK 0 3.469 -1.728 -1.985 0.00 0.00 O+0 HETATM 41 C UNK 0 1.400 -2.367 -2.939 0.00 0.00 C+0 HETATM 42 O UNK 0 1.527 -3.652 -2.318 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.418 -3.667 -2.026 0.00 0.00 C+0 HETATM 44 O UNK 0 -1.276 -4.397 -1.537 0.00 0.00 O+0 HETATM 45 C UNK 0 -1.277 -5.730 -1.771 0.00 0.00 C+0 HETATM 46 O UNK 0 -2.151 -6.343 -2.363 0.00 0.00 O+0 HETATM 47 C UNK 0 -0.093 -6.311 -1.118 0.00 0.00 C+0 HETATM 48 C UNK 0 0.061 -7.641 -1.042 0.00 0.00 C+0 HETATM 49 C UNK 0 1.202 -8.279 -0.371 0.00 0.00 C+0 HETATM 50 C UNK 0 1.744 -9.447 -0.924 0.00 0.00 C+0 HETATM 51 C UNK 0 2.811 -10.095 -0.301 0.00 0.00 C+0 HETATM 52 C UNK 0 3.325 -9.576 0.880 0.00 0.00 C+0 HETATM 53 O UNK 0 4.372 -10.229 1.472 0.00 0.00 O+0 HETATM 54 C UNK 0 2.795 -8.421 1.464 0.00 0.00 C+0 HETATM 55 O UNK 0 3.398 -8.033 2.633 0.00 0.00 O+0 HETATM 56 C UNK 0 2.898 -6.848 3.246 0.00 0.00 C+0 HETATM 57 C UNK 0 1.726 -7.779 0.836 0.00 0.00 C+0 HETATM 58 C UNK 0 -3.602 -3.806 -1.064 0.00 0.00 C+0 HETATM 59 O UNK 0 -3.832 -5.101 -0.541 0.00 0.00 O+0 HETATM 60 C UNK 0 -0.020 1.934 4.269 0.00 0.00 C+0 HETATM 61 C UNK 0 0.408 3.220 4.597 0.00 0.00 C+0 HETATM 62 C UNK 0 0.453 4.193 3.609 0.00 0.00 C+0 HETATM 63 O UNK 0 0.881 5.447 3.954 0.00 0.00 O+0 HETATM 64 H UNK 0 0.390 4.002 -0.400 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.129 5.691 -0.463 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.300 4.469 0.049 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.649 2.377 0.954 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.663 0.279 1.818 0.00 0.00 H+0 HETATM 69 H UNK 0 0.436 -0.892 3.765 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.865 -3.991 1.771 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.439 -3.694 0.738 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.201 -2.390 0.468 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.607 -1.509 -4.033 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.026 -1.651 -2.982 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.829 0.119 -1.766 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.531 -2.752 -3.801 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.176 0.537 -2.326 0.00 0.00 H+0 HETATM 78 H UNK 0 0.987 1.385 -5.023 0.00 0.00 H+0 HETATM 79 H UNK 0 0.974 2.455 -3.619 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.365 2.169 -4.576 0.00 0.00 H+0 HETATM 81 H UNK 0 -3.597 3.227 -3.178 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.863 3.887 -4.666 0.00 0.00 H+0 HETATM 83 H UNK 0 2.630 0.216 -3.518 0.00 0.00 H+0 HETATM 84 H UNK 0 2.595 2.792 0.024 0.00 0.00 H+0 HETATM 85 H UNK 0 5.655 2.473 -0.312 0.00 0.00 H+0 HETATM 86 H UNK 0 3.309 3.158 2.439 0.00 0.00 H+0 HETATM 87 H UNK 0 3.591 4.920 4.113 0.00 0.00 H+0 HETATM 88 H UNK 0 4.720 6.794 4.662 0.00 0.00 H+0 HETATM 89 H UNK 0 6.754 6.667 1.779 0.00 0.00 H+0 HETATM 90 H UNK 0 6.479 4.899 0.075 0.00 0.00 H+0 HETATM 91 H UNK 0 1.710 -1.332 -1.046 0.00 0.00 H+0 HETATM 92 H UNK 0 4.038 -0.937 -1.867 0.00 0.00 H+0 HETATM 93 H UNK 0 1.925 -2.438 -3.900 0.00 0.00 H+0 HETATM 94 H UNK 0 2.458 -3.681 -2.010 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.648 -3.996 -3.046 0.00 0.00 H+0 HETATM 96 H UNK 0 0.623 -5.612 -0.700 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.669 -8.311 -1.492 0.00 0.00 H+0 HETATM 98 H UNK 0 1.346 -9.859 -1.849 0.00 0.00 H+0 HETATM 99 H UNK 0 3.238 -10.995 -0.731 0.00 0.00 H+0 HETATM 100 H UNK 0 4.569 -9.708 2.274 0.00 0.00 H+0 HETATM 101 H UNK 0 3.488 -6.666 4.149 0.00 0.00 H+0 HETATM 102 H UNK 0 1.853 -6.973 3.549 0.00 0.00 H+0 HETATM 103 H UNK 0 3.020 -5.981 2.588 0.00 0.00 H+0 HETATM 104 H UNK 0 1.277 -6.895 1.276 0.00 0.00 H+0 HETATM 105 H UNK 0 -4.514 -3.494 -1.587 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.739 -5.748 -1.272 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.075 1.185 5.056 0.00 0.00 H+0 HETATM 108 H UNK 0 0.693 3.463 5.616 0.00 0.00 H+0 HETATM 109 H UNK 0 0.822 5.966 3.126 0.00 0.00 H+0 CONECT 1 2 64 65 66 CONECT 2 3 1 CONECT 3 4 62 2 CONECT 4 5 3 67 CONECT 5 60 6 4 CONECT 6 5 7 68 CONECT 7 6 8 69 CONECT 8 7 10 9 CONECT 9 8 CONECT 10 11 8 CONECT 11 12 10 70 71 CONECT 12 58 13 11 72 CONECT 13 12 14 CONECT 14 13 43 15 17 CONECT 15 14 16 73 74 CONECT 16 15 75 CONECT 17 14 18 CONECT 18 19 41 17 76 CONECT 19 20 18 CONECT 20 19 26 21 77 CONECT 21 22 20 78 79 CONECT 22 21 23 CONECT 23 22 25 24 CONECT 24 23 80 81 82 CONECT 25 23 CONECT 26 27 39 20 83 CONECT 27 26 28 CONECT 28 30 27 29 CONECT 29 28 CONECT 30 31 28 84 CONECT 31 32 30 85 CONECT 32 31 38 33 CONECT 33 34 32 86 CONECT 34 33 35 87 CONECT 35 37 36 34 CONECT 36 35 88 CONECT 37 35 38 89 CONECT 38 37 32 90 CONECT 39 40 41 26 91 CONECT 40 39 92 CONECT 41 42 18 39 93 CONECT 42 41 94 CONECT 43 58 14 44 95 CONECT 44 43 45 CONECT 45 47 44 46 CONECT 46 45 CONECT 47 48 45 96 CONECT 48 49 47 97 CONECT 49 50 57 48 CONECT 50 49 51 98 CONECT 51 50 52 99 CONECT 52 51 54 53 CONECT 53 52 100 CONECT 54 52 57 55 CONECT 55 54 56 CONECT 56 55 101 102 103 CONECT 57 54 49 104 CONECT 58 43 12 59 105 CONECT 59 58 106 CONECT 60 61 5 107 CONECT 61 60 62 108 CONECT 62 63 3 61 CONECT 63 62 109 CONECT 64 1 CONECT 65 1 CONECT 66 1 CONECT 67 4 CONECT 68 6 CONECT 69 7 CONECT 70 11 CONECT 71 11 CONECT 72 12 CONECT 73 15 CONECT 74 15 CONECT 75 16 CONECT 76 18 CONECT 77 20 CONECT 78 21 CONECT 79 21 CONECT 80 24 CONECT 81 24 CONECT 82 24 CONECT 83 26 CONECT 84 30 CONECT 85 31 CONECT 86 33 CONECT 87 34 CONECT 88 36 CONECT 89 37 CONECT 90 38 CONECT 91 39 CONECT 92 40 CONECT 93 41 CONECT 94 42 CONECT 95 43 CONECT 96 47 CONECT 97 48 CONECT 98 50 CONECT 99 51 CONECT 100 53 CONECT 101 56 CONECT 102 56 CONECT 103 56 CONECT 104 57 CONECT 105 58 CONECT 106 59 CONECT 107 60 CONECT 108 61 CONECT 109 63 MASTER 0 0 0 0 0 0 0 0 109 0 226 0 END