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 7.588 6.243 -0.409 0.00 0.00 C+0 HETATM 2 O UNK 0 7.662 5.017 0.275 0.00 0.00 O+0 HETATM 3 C UNK 0 8.095 3.856 -0.360 0.00 0.00 C+0 HETATM 4 O UNK 0 8.427 3.916 -1.579 0.00 0.00 O+0 HETATM 5 C UNK 0 8.152 2.593 0.411 0.00 0.00 C+0 HETATM 6 C UNK 0 7.383 1.484 -0.245 0.00 0.00 C+0 HETATM 7 C UNK 0 7.936 1.204 -1.601 0.00 0.00 C+0 HETATM 8 O UNK 0 7.361 0.336 0.515 0.00 0.00 O+0 HETATM 9 C UNK 0 5.957 1.992 -0.439 0.00 0.00 C+0 HETATM 10 C UNK 0 5.125 0.940 -1.088 0.00 0.00 C+0 HETATM 11 O UNK 0 5.228 0.726 -2.326 0.00 0.00 O+0 HETATM 12 O UNK 0 4.245 0.193 -0.364 0.00 0.00 O+0 HETATM 13 C UNK 0 3.405 -0.840 -0.902 0.00 0.00 C+0 HETATM 14 C UNK 0 1.992 -0.388 -0.634 0.00 0.00 C+0 HETATM 15 C UNK 0 1.003 -1.483 -0.824 0.00 0.00 C+0 HETATM 16 C UNK 0 0.958 -1.822 -2.284 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.373 -1.096 -0.399 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.379 -1.067 -1.230 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.781 -0.703 -0.927 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.062 -0.488 0.514 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.598 -1.646 1.279 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.960 0.689 0.794 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.349 0.633 0.373 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.300 -0.365 0.861 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.678 -0.060 0.248 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.055 1.373 0.290 0.00 0.00 C+0 HETATM 27 C UNK 0 -9.194 1.557 -0.725 0.00 0.00 C+0 HETATM 28 C UNK 0 -10.433 0.822 -0.343 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.441 3.045 -0.862 0.00 0.00 C+0 HETATM 30 O UNK 0 -8.675 1.106 -1.962 0.00 0.00 O+0 HETATM 31 O UNK 0 -7.008 2.181 -0.198 0.00 0.00 O+0 HETATM 32 C UNK 0 -5.948 2.025 0.659 0.00 0.00 C+0 HETATM 33 O UNK 0 -6.437 1.988 1.963 0.00 0.00 O+0 HETATM 34 C UNK 0 -3.661 0.964 2.218 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.317 0.331 2.534 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.783 0.029 1.164 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.438 1.414 0.569 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.590 -0.751 1.032 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.309 -2.003 1.774 0.00 0.00 C+0 HETATM 40 C UNK 0 1.205 -2.248 1.504 0.00 0.00 C+0 HETATM 41 C UNK 0 1.377 -2.671 0.043 0.00 0.00 C+0 HETATM 42 C UNK 0 2.760 -3.168 -0.148 0.00 0.00 C+0 HETATM 43 C UNK 0 3.103 -4.043 1.069 0.00 0.00 C+0 HETATM 44 C UNK 0 2.926 -4.054 -1.360 0.00 0.00 C+0 HETATM 45 C UNK 0 3.807 -2.082 -0.184 0.00 0.00 C+0 HETATM 46 O UNK 0 4.948 -2.636 -0.824 0.00 0.00 O+0 HETATM 47 C UNK 0 6.098 -2.779 -0.065 0.00 0.00 C+0 HETATM 48 C UNK 0 7.287 -3.359 -0.731 0.00 0.00 C+0 HETATM 49 O UNK 0 6.107 -2.423 1.145 0.00 0.00 O+0 HETATM 50 H UNK 0 7.481 6.030 -1.510 0.00 0.00 H+0 HETATM 51 H UNK 0 8.472 6.831 -0.159 0.00 0.00 H+0 HETATM 52 H UNK 0 6.629 6.735 -0.108 0.00 0.00 H+0 HETATM 53 H UNK 0 9.254 2.339 0.473 0.00 0.00 H+0 HETATM 54 H UNK 0 7.838 2.751 1.460 0.00 0.00 H+0 HETATM 55 H UNK 0 7.599 1.927 -2.376 0.00 0.00 H+0 HETATM 56 H UNK 0 9.054 1.289 -1.549 0.00 0.00 H+0 HETATM 57 H UNK 0 7.617 0.186 -1.944 0.00 0.00 H+0 HETATM 58 H UNK 0 8.250 -0.076 0.514 0.00 0.00 H+0 HETATM 59 H UNK 0 6.004 2.845 -1.144 0.00 0.00 H+0 HETATM 60 H UNK 0 5.535 2.302 0.522 0.00 0.00 H+0 HETATM 61 H UNK 0 3.651 -0.858 -1.992 0.00 0.00 H+0 HETATM 62 H UNK 0 2.008 0.097 0.340 0.00 0.00 H+0 HETATM 63 H UNK 0 1.762 0.408 -1.375 0.00 0.00 H+0 HETATM 64 H UNK 0 0.681 -0.871 -2.830 0.00 0.00 H+0 HETATM 65 H UNK 0 0.308 -2.665 -2.551 0.00 0.00 H+0 HETATM 66 H UNK 0 1.968 -2.065 -2.695 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.213 -1.342 -2.289 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.430 -1.516 -1.308 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.045 0.217 -1.489 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.342 -1.327 2.074 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.837 -2.140 1.953 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.986 -2.472 0.648 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.522 1.554 0.202 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.365 0.580 -0.756 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.128 -1.413 0.499 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.491 -0.324 1.967 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.422 -0.646 0.855 0.00 0.00 H+0 HETATM 78 H UNK 0 -7.737 -0.459 -0.790 0.00 0.00 H+0 HETATM 79 H UNK 0 -8.376 1.728 1.280 0.00 0.00 H+0 HETATM 80 H UNK 0 -10.290 0.024 0.389 0.00 0.00 H+0 HETATM 81 H UNK 0 -10.904 0.397 -1.268 0.00 0.00 H+0 HETATM 82 H UNK 0 -11.171 1.594 0.021 0.00 0.00 H+0 HETATM 83 H UNK 0 -9.195 3.510 0.116 0.00 0.00 H+0 HETATM 84 H UNK 0 -8.776 3.467 -1.646 0.00 0.00 H+0 HETATM 85 H UNK 0 -10.519 3.177 -1.094 0.00 0.00 H+0 HETATM 86 H UNK 0 -9.438 0.633 -2.418 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.213 2.826 0.482 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.804 2.889 2.177 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.450 0.636 2.924 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.551 2.054 2.397 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.389 -0.548 3.198 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.615 1.050 3.006 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.318 1.591 0.631 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.870 2.237 1.134 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.636 1.434 -0.528 0.00 0.00 H+0 HETATM 96 H UNK 0 0.270 -0.055 1.301 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.368 -1.967 2.862 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.722 -2.939 1.305 0.00 0.00 H+0 HETATM 99 H UNK 0 1.439 -3.144 2.114 0.00 0.00 H+0 HETATM 100 H UNK 0 1.778 -1.357 1.745 0.00 0.00 H+0 HETATM 101 H UNK 0 0.675 -3.476 -0.175 0.00 0.00 H+0 HETATM 102 H UNK 0 4.005 -4.633 0.727 0.00 0.00 H+0 HETATM 103 H UNK 0 2.320 -4.773 1.273 0.00 0.00 H+0 HETATM 104 H UNK 0 3.451 -3.454 1.918 0.00 0.00 H+0 HETATM 105 H UNK 0 3.683 -3.613 -2.067 0.00 0.00 H+0 HETATM 106 H UNK 0 1.974 -4.305 -1.859 0.00 0.00 H+0 HETATM 107 H UNK 0 3.381 -5.036 -1.080 0.00 0.00 H+0 HETATM 108 H UNK 0 4.017 -1.822 0.885 0.00 0.00 H+0 HETATM 109 H UNK 0 7.877 -3.849 0.091 0.00 0.00 H+0 HETATM 110 H UNK 0 7.856 -2.556 -1.238 0.00 0.00 H+0 HETATM 111 H UNK 0 6.921 -4.114 -1.466 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 53 54 CONECT 6 5 7 8 9 CONECT 7 6 55 56 57 CONECT 8 6 58 CONECT 9 6 10 59 60 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 14 45 61 CONECT 14 13 15 62 63 CONECT 15 14 16 17 41 CONECT 16 15 64 65 66 CONECT 17 15 18 38 CONECT 18 17 19 67 CONECT 19 18 20 68 69 CONECT 20 19 21 22 36 CONECT 21 20 70 71 72 CONECT 22 20 23 34 73 CONECT 23 22 24 32 74 CONECT 24 23 25 75 76 CONECT 25 24 26 77 78 CONECT 26 25 27 31 79 CONECT 27 26 28 29 30 CONECT 28 27 80 81 82 CONECT 29 27 83 84 85 CONECT 30 27 86 CONECT 31 26 32 CONECT 32 31 33 23 87 CONECT 33 32 88 CONECT 34 22 35 89 90 CONECT 35 34 36 91 92 CONECT 36 35 37 38 20 CONECT 37 36 93 94 95 CONECT 38 36 39 17 96 CONECT 39 38 40 97 98 CONECT 40 39 41 99 100 CONECT 41 40 42 15 101 CONECT 42 41 43 44 45 CONECT 43 42 102 103 104 CONECT 44 42 105 106 107 CONECT 45 42 46 13 108 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 109 110 111 CONECT 49 47 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 5 CONECT 54 5 CONECT 55 7 CONECT 56 7 CONECT 57 7 CONECT 58 8 CONECT 59 9 CONECT 60 9 CONECT 61 13 CONECT 62 14 CONECT 63 14 CONECT 64 16 CONECT 65 16 CONECT 66 16 CONECT 67 18 CONECT 68 19 CONECT 69 19 CONECT 70 21 CONECT 71 21 CONECT 72 21 CONECT 73 22 CONECT 74 23 CONECT 75 24 CONECT 76 24 CONECT 77 25 CONECT 78 25 CONECT 79 26 CONECT 80 28 CONECT 81 28 CONECT 82 28 CONECT 83 29 CONECT 84 29 CONECT 85 29 CONECT 86 30 CONECT 87 32 CONECT 88 33 CONECT 89 34 CONECT 90 34 CONECT 91 35 CONECT 92 35 CONECT 93 37 CONECT 94 37 CONECT 95 37 CONECT 96 38 CONECT 97 39 CONECT 98 39 CONECT 99 40 CONECT 100 40 CONECT 101 41 CONECT 102 43 CONECT 103 43 CONECT 104 43 CONECT 105 44 CONECT 106 44 CONECT 107 44 CONECT 108 45 CONECT 109 48 CONECT 110 48 CONECT 111 48 MASTER 0 0 0 0 0 0 0 0 111 0 230 0 END