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 -6.869 -4.160 -1.648 0.00 0.00 C+0 HETATM 2 O UNK 0 -6.234 -2.949 -1.418 0.00 0.00 O+0 HETATM 3 C UNK 0 -4.985 -3.282 -0.823 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.984 -2.942 -1.886 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.119 -1.961 -1.841 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.454 -1.503 -0.643 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.717 -2.269 0.132 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.584 -3.021 -0.380 0.00 0.00 C+0 HETATM 9 C UNK 0 0.312 -2.443 -1.218 0.00 0.00 C+0 HETATM 10 C UNK 0 0.325 -0.966 -1.338 0.00 0.00 C+0 HETATM 11 C UNK 0 1.691 -0.343 -1.616 0.00 0.00 C+0 HETATM 12 O UNK 0 2.697 -0.794 -0.741 0.00 0.00 O+0 HETATM 13 C UNK 0 3.550 -1.825 -0.976 0.00 0.00 C+0 HETATM 14 O UNK 0 3.466 -2.499 -2.018 0.00 0.00 O+0 HETATM 15 C UNK 0 4.637 -2.231 0.003 0.00 0.00 C+0 HETATM 16 N UNK 0 5.607 -1.190 0.155 0.00 0.00 N+0 HETATM 17 C UNK 0 6.698 -1.151 1.056 0.00 0.00 C+0 HETATM 18 O UNK 0 6.817 -2.113 1.856 0.00 0.00 O+0 HETATM 19 C UNK 0 7.678 -0.086 1.099 0.00 0.00 C+0 HETATM 20 C UNK 0 8.640 -0.137 2.000 0.00 0.00 C+0 HETATM 21 C UNK 0 9.633 0.967 2.017 0.00 0.00 C+0 HETATM 22 C UNK 0 8.884 2.276 2.039 0.00 0.00 C+0 HETATM 23 C UNK 0 7.853 2.331 0.961 0.00 0.00 C+0 HETATM 24 C UNK 0 7.728 1.064 0.161 0.00 0.00 C+0 HETATM 25 C UNK 0 4.100 -2.772 1.298 0.00 0.00 C+0 HETATM 26 C UNK 0 4.893 -3.631 0.318 0.00 0.00 C+0 HETATM 27 C UNK 0 1.617 1.120 -1.746 0.00 0.00 C+0 HETATM 28 C UNK 0 1.412 1.490 -3.203 0.00 0.00 C+0 HETATM 29 C UNK 0 0.599 1.858 -0.929 0.00 0.00 C+0 HETATM 30 O UNK 0 0.482 3.115 -1.628 0.00 0.00 O+0 HETATM 31 C UNK 0 1.026 2.275 0.416 0.00 0.00 C+0 HETATM 32 C UNK 0 2.474 2.462 0.779 0.00 0.00 C+0 HETATM 33 C UNK 0 0.135 2.535 1.350 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.059 1.689 1.597 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.334 2.385 1.461 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.672 1.757 1.323 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.444 2.688 0.581 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.742 2.513 0.188 0.00 0.00 C+0 HETATM 39 C UNK 0 -6.293 1.330 0.563 0.00 0.00 C+0 HETATM 40 C UNK 0 -5.581 0.347 1.306 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.246 0.550 1.709 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.542 -0.399 2.460 0.00 0.00 O+0 HETATM 43 N UNK 0 -6.460 -0.799 1.420 0.00 0.00 N+0 HETATM 44 C UNK 0 -6.183 -2.180 1.104 0.00 0.00 C+0 HETATM 45 O UNK 0 -6.984 -3.067 1.380 0.00 0.00 O+0 HETATM 46 C UNK 0 -4.894 -2.531 0.429 0.00 0.00 C+0 HETATM 47 S UNK 0 -8.043 1.047 0.131 0.00 0.00 S+0 HETATM 48 C UNK 0 -8.770 2.668 -0.180 0.00 0.00 C+0 HETATM 49 C UNK 0 -7.721 3.378 -0.984 0.00 0.00 C+0 HETATM 50 O UNK 0 -8.093 3.854 -2.090 0.00 0.00 O+0 HETATM 51 N UNK 0 -6.414 3.515 -0.558 0.00 0.00 N+0 HETATM 52 H UNK 0 -7.040 -4.779 -0.768 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.288 -4.747 -2.399 0.00 0.00 H+0 HETATM 54 H UNK 0 -7.861 -3.963 -2.137 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.898 -4.388 -0.681 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.954 -3.548 -2.801 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.913 -1.453 -2.801 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.542 -0.431 -0.332 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.005 -2.311 1.200 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.420 -4.027 -0.115 0.00 0.00 H+0 HETATM 61 H UNK 0 0.955 -3.100 -1.762 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.356 -0.769 -2.228 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.135 -0.454 -0.514 0.00 0.00 H+0 HETATM 64 H UNK 0 1.922 -0.802 -2.614 0.00 0.00 H+0 HETATM 65 H UNK 0 5.512 -0.335 -0.471 0.00 0.00 H+0 HETATM 66 H UNK 0 8.715 -0.961 2.728 0.00 0.00 H+0 HETATM 67 H UNK 0 10.199 0.974 1.031 0.00 0.00 H+0 HETATM 68 H UNK 0 10.374 0.878 2.834 0.00 0.00 H+0 HETATM 69 H UNK 0 8.415 2.375 3.046 0.00 0.00 H+0 HETATM 70 H UNK 0 9.601 3.143 1.954 0.00 0.00 H+0 HETATM 71 H UNK 0 6.860 2.552 1.424 0.00 0.00 H+0 HETATM 72 H UNK 0 8.054 3.216 0.299 0.00 0.00 H+0 HETATM 73 H UNK 0 8.623 0.972 -0.520 0.00 0.00 H+0 HETATM 74 H UNK 0 6.802 1.166 -0.454 0.00 0.00 H+0 HETATM 75 H UNK 0 3.003 -2.947 1.379 0.00 0.00 H+0 HETATM 76 H UNK 0 4.577 -2.516 2.253 0.00 0.00 H+0 HETATM 77 H UNK 0 5.931 -3.887 0.625 0.00 0.00 H+0 HETATM 78 H UNK 0 4.327 -4.416 -0.230 0.00 0.00 H+0 HETATM 79 H UNK 0 2.608 1.548 -1.467 0.00 0.00 H+0 HETATM 80 H UNK 0 0.376 1.278 -3.503 0.00 0.00 H+0 HETATM 81 H UNK 0 1.552 2.590 -3.271 0.00 0.00 H+0 HETATM 82 H UNK 0 2.164 0.952 -3.838 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.415 1.485 -0.948 0.00 0.00 H+0 HETATM 84 H UNK 0 1.278 3.646 -1.349 0.00 0.00 H+0 HETATM 85 H UNK 0 2.580 3.103 1.675 0.00 0.00 H+0 HETATM 86 H UNK 0 2.849 1.458 1.045 0.00 0.00 H+0 HETATM 87 H UNK 0 3.029 2.937 -0.055 0.00 0.00 H+0 HETATM 88 H UNK 0 0.265 3.430 2.014 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.960 1.437 2.719 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.048 0.705 1.139 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.402 3.149 2.298 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.112 3.102 0.570 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.999 3.666 0.279 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.012 -0.903 2.919 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.475 -0.656 1.746 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.498 -1.498 0.148 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.284 -3.009 1.217 0.00 0.00 H+0 HETATM 98 H UNK 0 -9.669 2.510 -0.790 0.00 0.00 H+0 HETATM 99 H UNK 0 -8.940 3.260 0.742 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.875 4.396 -0.789 0.00 0.00 H+0 CONECT 1 2 52 53 54 CONECT 2 1 3 CONECT 3 2 4 46 55 CONECT 4 3 5 56 CONECT 5 4 6 57 CONECT 6 5 7 58 CONECT 7 6 8 59 CONECT 8 7 9 60 CONECT 9 8 10 61 CONECT 10 9 11 62 63 CONECT 11 10 12 27 64 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 25 26 CONECT 16 15 17 65 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 24 CONECT 20 19 21 66 CONECT 21 20 22 67 68 CONECT 22 21 23 69 70 CONECT 23 22 24 71 72 CONECT 24 23 19 73 74 CONECT 25 15 26 75 76 CONECT 26 25 15 77 78 CONECT 27 11 28 29 79 CONECT 28 27 80 81 82 CONECT 29 27 30 31 83 CONECT 30 29 84 CONECT 31 29 32 33 CONECT 32 31 85 86 87 CONECT 33 31 34 88 CONECT 34 33 35 89 90 CONECT 35 34 36 91 92 CONECT 36 35 37 41 CONECT 37 36 38 93 CONECT 38 37 39 51 CONECT 39 38 40 47 CONECT 40 39 41 43 CONECT 41 40 42 36 CONECT 42 41 94 CONECT 43 40 44 95 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 3 96 97 CONECT 47 39 48 CONECT 48 47 49 98 99 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 38 100 CONECT 52 1 CONECT 53 1 CONECT 54 1 CONECT 55 3 CONECT 56 4 CONECT 57 5 CONECT 58 6 CONECT 59 7 CONECT 60 8 CONECT 61 9 CONECT 62 10 CONECT 63 10 CONECT 64 11 CONECT 65 16 CONECT 66 20 CONECT 67 21 CONECT 68 21 CONECT 69 22 CONECT 70 22 CONECT 71 23 CONECT 72 23 CONECT 73 24 CONECT 74 24 CONECT 75 25 CONECT 76 25 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 28 CONECT 81 28 CONECT 82 28 CONECT 83 29 CONECT 84 30 CONECT 85 32 CONECT 86 32 CONECT 87 32 CONECT 88 33 CONECT 89 34 CONECT 90 34 CONECT 91 35 CONECT 92 35 CONECT 93 37 CONECT 94 42 CONECT 95 43 CONECT 96 46 CONECT 97 46 CONECT 98 48 CONECT 99 48 CONECT 100 51 MASTER 0 0 0 0 0 0 0 0 100 0 208 0 END