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 -0.294 -0.888 3.244 0.00 0.00 C+0 HETATM 2 O UNK 0 0.314 -0.474 2.087 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.370 -0.852 0.939 0.00 0.00 C+0 HETATM 4 C UNK 0 0.603 -1.693 0.162 0.00 0.00 C+0 HETATM 5 O UNK 0 1.349 -1.037 -0.612 0.00 0.00 O+0 HETATM 6 O UNK 0 0.659 -3.004 0.287 0.00 0.00 O+0 HETATM 7 C UNK 0 1.285 -3.970 1.051 0.00 0.00 C+0 HETATM 8 C UNK 0 1.837 -3.553 2.385 0.00 0.00 C+0 HETATM 9 C UNK 0 2.293 -4.704 0.205 0.00 0.00 C+0 HETATM 10 C UNK 0 2.302 -4.344 -1.245 0.00 0.00 C+0 HETATM 11 C UNK 0 3.610 -4.949 0.820 0.00 0.00 C+0 HETATM 12 C UNK 0 4.590 -4.059 0.943 0.00 0.00 C+0 HETATM 13 C UNK 0 5.859 -4.534 1.611 0.00 0.00 C+0 HETATM 14 C UNK 0 4.441 -2.705 0.475 0.00 0.00 C+0 HETATM 15 C UNK 0 5.240 -2.342 -0.777 0.00 0.00 C+0 HETATM 16 C UNK 0 6.131 -3.529 -1.072 0.00 0.00 C+0 HETATM 17 C UNK 0 6.046 -1.113 -0.604 0.00 0.00 C+0 HETATM 18 O UNK 0 7.301 -1.280 -0.834 0.00 0.00 O+0 HETATM 19 N UNK 0 5.653 0.163 -0.237 0.00 0.00 N+0 HETATM 20 C UNK 0 4.604 1.014 -0.833 0.00 0.00 C+0 HETATM 21 C UNK 0 4.308 0.625 -2.239 0.00 0.00 C+0 HETATM 22 C UNK 0 3.474 1.165 0.075 0.00 0.00 C+0 HETATM 23 O UNK 0 3.499 0.377 1.099 0.00 0.00 O+0 HETATM 24 N UNK 0 2.352 2.037 0.013 0.00 0.00 N+0 HETATM 25 C UNK 0 1.908 2.517 1.340 0.00 0.00 C+0 HETATM 26 C UNK 0 1.659 2.445 -1.124 0.00 0.00 C+0 HETATM 27 C UNK 0 1.224 3.853 -1.321 0.00 0.00 C+0 HETATM 28 C UNK 0 2.280 4.887 -1.365 0.00 0.00 C+0 HETATM 29 C UNK 0 3.020 5.181 -2.525 0.00 0.00 C+0 HETATM 30 N UNK 0 3.944 6.089 -2.228 0.00 0.00 N+0 HETATM 31 C UNK 0 3.855 6.411 -0.938 0.00 0.00 C+0 HETATM 32 C UNK 0 4.532 7.292 -0.127 0.00 0.00 C+0 HETATM 33 C UNK 0 4.197 7.444 1.203 0.00 0.00 C+0 HETATM 34 C UNK 0 3.162 6.703 1.740 0.00 0.00 C+0 HETATM 35 C UNK 0 2.493 5.829 0.932 0.00 0.00 C+0 HETATM 36 C UNK 0 2.824 5.671 -0.393 0.00 0.00 C+0 HETATM 37 C UNK 0 0.560 1.587 -1.629 0.00 0.00 C+0 HETATM 38 O UNK 0 0.231 1.931 -2.855 0.00 0.00 O+0 HETATM 39 N UNK 0 -0.159 0.549 -1.105 0.00 0.00 N+0 HETATM 40 C UNK 0 -0.808 0.390 0.185 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.297 0.243 -0.057 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.164 -0.197 0.890 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.537 -0.354 0.651 0.00 0.00 C+0 HETATM 44 C UNK 0 -5.057 -0.063 -0.567 0.00 0.00 C+0 HETATM 45 O UNK 0 -6.391 -0.193 -0.866 0.00 0.00 O+0 HETATM 46 C UNK 0 -7.384 -0.576 0.030 0.00 0.00 C+0 HETATM 47 O UNK 0 -7.808 -1.894 -0.192 0.00 0.00 O+0 HETATM 48 C UNK 0 -8.521 -1.943 -1.384 0.00 0.00 C+0 HETATM 49 O UNK 0 -7.932 -1.273 -2.428 0.00 0.00 O+0 HETATM 50 C UNK 0 -9.893 -1.394 -1.061 0.00 0.00 C+0 HETATM 51 O UNK 0 -10.433 -2.181 -0.041 0.00 0.00 O+0 HETATM 52 C UNK 0 -9.748 0.034 -0.666 0.00 0.00 C+0 HETATM 53 O UNK 0 -10.865 0.351 0.147 0.00 0.00 O+0 HETATM 54 C UNK 0 -8.531 0.408 0.087 0.00 0.00 C+0 HETATM 55 C UNK 0 -8.831 0.794 1.484 0.00 0.00 C+0 HETATM 56 O UNK 0 -8.778 1.991 1.840 0.00 0.00 O+0 HETATM 57 O UNK 0 -9.178 -0.173 2.429 0.00 0.00 O+0 HETATM 58 C UNK 0 -4.161 0.389 -1.540 0.00 0.00 C+0 HETATM 59 Cl UNK 0 -4.837 0.766 -3.115 0.00 0.00 Cl+0 HETATM 60 C UNK 0 -2.821 0.540 -1.301 0.00 0.00 C+0 HETATM 61 H UNK 0 -0.416 -1.977 3.240 0.00 0.00 H+0 HETATM 62 H UNK 0 0.427 -0.663 4.105 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.192 -0.309 3.536 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.245 -1.447 1.266 0.00 0.00 H+0 HETATM 65 H UNK 0 0.417 -4.655 1.355 0.00 0.00 H+0 HETATM 66 H UNK 0 2.117 -2.481 2.424 0.00 0.00 H+0 HETATM 67 H UNK 0 2.722 -4.208 2.593 0.00 0.00 H+0 HETATM 68 H UNK 0 1.157 -3.739 3.239 0.00 0.00 H+0 HETATM 69 H UNK 0 1.841 -5.760 0.138 0.00 0.00 H+0 HETATM 70 H UNK 0 3.059 -5.040 -1.718 0.00 0.00 H+0 HETATM 71 H UNK 0 1.348 -4.668 -1.764 0.00 0.00 H+0 HETATM 72 H UNK 0 2.453 -3.313 -1.513 0.00 0.00 H+0 HETATM 73 H UNK 0 3.869 -5.947 1.238 0.00 0.00 H+0 HETATM 74 H UNK 0 6.535 -3.719 1.852 0.00 0.00 H+0 HETATM 75 H UNK 0 5.567 -5.057 2.558 0.00 0.00 H+0 HETATM 76 H UNK 0 6.369 -5.296 0.992 0.00 0.00 H+0 HETATM 77 H UNK 0 4.955 -2.066 1.272 0.00 0.00 H+0 HETATM 78 H UNK 0 3.451 -2.281 0.436 0.00 0.00 H+0 HETATM 79 H UNK 0 4.572 -2.267 -1.661 0.00 0.00 H+0 HETATM 80 H UNK 0 7.054 -3.544 -0.475 0.00 0.00 H+0 HETATM 81 H UNK 0 6.445 -3.391 -2.152 0.00 0.00 H+0 HETATM 82 H UNK 0 5.531 -4.437 -1.071 0.00 0.00 H+0 HETATM 83 H UNK 0 6.144 0.635 0.577 0.00 0.00 H+0 HETATM 84 H UNK 0 5.074 2.046 -0.922 0.00 0.00 H+0 HETATM 85 H UNK 0 5.048 -0.163 -2.549 0.00 0.00 H+0 HETATM 86 H UNK 0 4.330 1.455 -2.980 0.00 0.00 H+0 HETATM 87 H UNK 0 3.314 0.154 -2.291 0.00 0.00 H+0 HETATM 88 H UNK 0 1.821 1.671 2.053 0.00 0.00 H+0 HETATM 89 H UNK 0 0.909 2.991 1.292 0.00 0.00 H+0 HETATM 90 H UNK 0 2.692 3.164 1.807 0.00 0.00 H+0 HETATM 91 H UNK 0 2.467 2.339 -1.984 0.00 0.00 H+0 HETATM 92 H UNK 0 0.490 4.204 -0.562 0.00 0.00 H+0 HETATM 93 H UNK 0 0.662 3.971 -2.296 0.00 0.00 H+0 HETATM 94 H UNK 0 2.824 4.715 -3.479 0.00 0.00 H+0 HETATM 95 H UNK 0 4.634 6.481 -2.924 0.00 0.00 H+0 HETATM 96 H UNK 0 5.338 7.863 -0.564 0.00 0.00 H+0 HETATM 97 H UNK 0 4.724 8.142 1.868 0.00 0.00 H+0 HETATM 98 H UNK 0 2.912 6.845 2.805 0.00 0.00 H+0 HETATM 99 H UNK 0 1.666 5.273 1.367 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.321 -0.302 -1.747 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.700 1.256 0.848 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.810 -0.442 1.905 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.112 -0.717 1.496 0.00 0.00 H+0 HETATM 104 H UNK 0 -6.960 -0.599 1.052 0.00 0.00 H+0 HETATM 105 H UNK 0 -8.665 -3.004 -1.727 0.00 0.00 H+0 HETATM 106 H UNK 0 -8.312 -0.396 -2.627 0.00 0.00 H+0 HETATM 107 H UNK 0 -10.543 -1.466 -1.959 0.00 0.00 H+0 HETATM 108 H UNK 0 -9.804 -2.349 0.685 0.00 0.00 H+0 HETATM 109 H UNK 0 -9.918 0.676 -1.586 0.00 0.00 H+0 HETATM 110 H UNK 0 -11.003 -0.417 0.787 0.00 0.00 H+0 HETATM 111 H UNK 0 -8.123 1.342 -0.417 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.515 -0.397 3.172 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.138 0.890 -2.063 0.00 0.00 H+0 CONECT 1 2 61 62 63 CONECT 2 1 3 CONECT 3 2 4 40 64 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 9 65 CONECT 8 7 66 67 68 CONECT 9 7 10 11 69 CONECT 10 9 70 71 72 CONECT 11 9 12 73 CONECT 12 11 13 14 CONECT 13 12 74 75 76 CONECT 14 12 15 77 78 CONECT 15 14 16 17 79 CONECT 16 15 80 81 82 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 20 83 CONECT 20 19 21 22 84 CONECT 21 20 85 86 87 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 88 89 90 CONECT 26 24 27 37 91 CONECT 27 26 28 92 93 CONECT 28 27 29 36 CONECT 29 28 30 94 CONECT 30 29 31 95 CONECT 31 30 32 36 CONECT 32 31 33 96 CONECT 33 32 34 97 CONECT 34 33 35 98 CONECT 35 34 36 99 CONECT 36 35 28 31 CONECT 37 26 38 39 CONECT 38 37 CONECT 39 37 40 100 CONECT 40 39 41 3 101 CONECT 41 40 42 60 CONECT 42 41 43 102 CONECT 43 42 44 103 CONECT 44 43 45 58 CONECT 45 44 46 CONECT 46 45 47 54 104 CONECT 47 46 48 CONECT 48 47 49 50 105 CONECT 49 48 106 CONECT 50 48 51 52 107 CONECT 51 50 108 CONECT 52 50 53 54 109 CONECT 53 52 110 CONECT 54 52 55 46 111 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 112 CONECT 58 44 59 60 CONECT 59 58 CONECT 60 58 41 113 CONECT 61 1 CONECT 62 1 CONECT 63 1 CONECT 64 3 CONECT 65 7 CONECT 66 8 CONECT 67 8 CONECT 68 8 CONECT 69 9 CONECT 70 10 CONECT 71 10 CONECT 72 10 CONECT 73 11 CONECT 74 13 CONECT 75 13 CONECT 76 13 CONECT 77 14 CONECT 78 14 CONECT 79 15 CONECT 80 16 CONECT 81 16 CONECT 82 16 CONECT 83 19 CONECT 84 20 CONECT 85 21 CONECT 86 21 CONECT 87 21 CONECT 88 25 CONECT 89 25 CONECT 90 25 CONECT 91 26 CONECT 92 27 CONECT 93 27 CONECT 94 29 CONECT 95 30 CONECT 96 32 CONECT 97 33 CONECT 98 34 CONECT 99 35 CONECT 100 39 CONECT 101 40 CONECT 102 42 CONECT 103 43 CONECT 104 46 CONECT 105 48 CONECT 106 49 CONECT 107 50 CONECT 108 51 CONECT 109 52 CONECT 110 53 CONECT 111 54 CONECT 112 57 CONECT 113 60 MASTER 0 0 0 0 0 0 0 0 113 0 234 0 END