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 -7.232 0.251 0.431 0.00 0.00 C+0 HETATM 2 N UNK 0 -6.038 -0.502 0.717 0.00 0.00 N+0 HETATM 3 C UNK 0 -4.951 0.397 1.027 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.622 1.304 -0.179 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.897 2.736 0.186 0.00 0.00 C+0 HETATM 6 O UNK 0 -3.303 1.096 -0.551 0.00 0.00 O+0 HETATM 7 C UNK 0 -2.466 1.609 0.439 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.175 1.728 0.055 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.565 2.948 -0.010 0.00 0.00 C+0 HETATM 10 C UNK 0 0.681 2.999 0.836 0.00 0.00 C+0 HETATM 11 C UNK 0 0.617 3.678 2.000 0.00 0.00 C+0 HETATM 12 C UNK 0 1.673 3.669 2.906 0.00 0.00 C+0 HETATM 13 C UNK 0 1.508 4.457 4.153 0.00 0.00 C+0 HETATM 14 C UNK 0 2.813 2.962 2.628 0.00 0.00 C+0 HETATM 15 C UNK 0 3.925 2.874 3.550 0.00 0.00 C+0 HETATM 16 O UNK 0 4.963 2.152 3.224 0.00 0.00 O+0 HETATM 17 N UNK 0 4.121 3.444 4.815 0.00 0.00 N+0 HETATM 18 C UNK 0 5.401 3.146 5.519 0.00 0.00 C+0 HETATM 19 C UNK 0 5.449 3.803 6.828 0.00 0.00 C+0 HETATM 20 O UNK 0 4.469 4.510 7.165 0.00 0.00 O+0 HETATM 21 O UNK 0 6.534 3.650 7.652 0.00 0.00 O+0 HETATM 22 C UNK 0 2.895 2.253 1.410 0.00 0.00 C+0 HETATM 23 O UNK 0 4.013 1.598 1.155 0.00 0.00 O+0 HETATM 24 C UNK 0 1.841 2.271 0.529 0.00 0.00 C+0 HETATM 25 C UNK 0 1.947 1.702 -0.804 0.00 0.00 C+0 HETATM 26 C UNK 0 0.918 1.953 -1.697 0.00 0.00 C+0 HETATM 27 C UNK 0 0.841 1.251 -2.872 0.00 0.00 C+0 HETATM 28 C UNK 0 1.776 0.296 -3.182 0.00 0.00 C+0 HETATM 29 C UNK 0 2.797 0.056 -2.288 0.00 0.00 C+0 HETATM 30 C UNK 0 2.900 0.754 -1.085 0.00 0.00 C+0 HETATM 31 O UNK 0 3.916 0.435 -0.299 0.00 0.00 O+0 HETATM 32 C UNK 0 3.751 -0.983 -2.649 0.00 0.00 C+0 HETATM 33 O UNK 0 4.704 -1.268 -1.902 0.00 0.00 O+0 HETATM 34 C UNK 0 3.595 -1.719 -3.915 0.00 0.00 C+0 HETATM 35 C UNK 0 4.528 -2.704 -4.181 0.00 0.00 C+0 HETATM 36 C UNK 0 4.416 -3.432 -5.341 0.00 0.00 C+0 HETATM 37 O UNK 0 5.361 -4.407 -5.577 0.00 0.00 O+0 HETATM 38 C UNK 0 5.422 -5.258 -6.694 0.00 0.00 C+0 HETATM 39 C UNK 0 3.398 -3.186 -6.222 0.00 0.00 C+0 HETATM 40 C UNK 0 2.431 -2.186 -5.978 0.00 0.00 C+0 HETATM 41 O UNK 0 1.444 -1.979 -6.876 0.00 0.00 O+0 HETATM 42 C UNK 0 2.563 -1.463 -4.798 0.00 0.00 C+0 HETATM 43 C UNK 0 1.617 -0.434 -4.447 0.00 0.00 C+0 HETATM 44 O UNK 0 0.663 -0.154 -5.198 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.034 3.056 -1.417 0.00 0.00 C+0 HETATM 46 O UNK 0 -1.013 3.031 -2.388 0.00 0.00 O+0 HETATM 47 C UNK 0 -2.638 0.688 1.645 0.00 0.00 C+0 HETATM 48 O UNK 0 -1.447 -0.036 1.867 0.00 0.00 O+0 HETATM 49 C UNK 0 -3.639 -0.370 1.259 0.00 0.00 C+0 HETATM 50 O UNK 0 -3.735 -1.449 2.068 0.00 0.00 O+0 HETATM 51 C UNK 0 -3.626 -2.665 1.433 0.00 0.00 C+0 HETATM 52 O UNK 0 -4.712 -3.479 1.625 0.00 0.00 O+0 HETATM 53 C UNK 0 -4.523 -4.752 1.085 0.00 0.00 C+0 HETATM 54 C UNK 0 -3.528 -4.726 -0.056 0.00 0.00 C+0 HETATM 55 O UNK 0 -3.424 -6.011 -0.569 0.00 0.00 O+0 HETATM 56 C UNK 0 -2.172 -4.264 0.368 0.00 0.00 C+0 HETATM 57 O UNK 0 -1.578 -3.457 -0.604 0.00 0.00 O+0 HETATM 58 C UNK 0 -2.367 -3.447 1.671 0.00 0.00 C+0 HETATM 59 O UNK 0 -2.466 -4.405 2.673 0.00 0.00 O+0 HETATM 60 H UNK 0 -7.432 1.055 1.175 0.00 0.00 H+0 HETATM 61 H UNK 0 -7.255 0.698 -0.575 0.00 0.00 H+0 HETATM 62 H UNK 0 -8.149 -0.414 0.489 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.771 -1.086 -0.086 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.239 0.979 1.908 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.306 0.955 -0.997 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.822 2.923 1.281 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.314 3.459 -0.414 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.965 2.925 -0.063 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.838 2.603 0.730 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.208 3.800 0.219 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.262 4.239 2.242 0.00 0.00 H+0 HETATM 72 H UNK 0 2.219 5.279 4.204 0.00 0.00 H+0 HETATM 73 H UNK 0 1.346 3.818 5.016 0.00 0.00 H+0 HETATM 74 H UNK 0 0.504 5.015 4.069 0.00 0.00 H+0 HETATM 75 H UNK 0 3.510 4.033 5.326 0.00 0.00 H+0 HETATM 76 H UNK 0 6.240 3.479 4.908 0.00 0.00 H+0 HETATM 77 H UNK 0 5.427 2.026 5.580 0.00 0.00 H+0 HETATM 78 H UNK 0 6.888 4.431 8.171 0.00 0.00 H+0 HETATM 79 H UNK 0 4.895 1.439 1.552 0.00 0.00 H+0 HETATM 80 H UNK 0 0.002 1.495 -3.530 0.00 0.00 H+0 HETATM 81 H UNK 0 4.676 -0.180 -0.286 0.00 0.00 H+0 HETATM 82 H UNK 0 5.317 -2.871 -3.472 0.00 0.00 H+0 HETATM 83 H UNK 0 5.095 -4.694 -7.582 0.00 0.00 H+0 HETATM 84 H UNK 0 6.478 -5.585 -6.891 0.00 0.00 H+0 HETATM 85 H UNK 0 4.723 -6.122 -6.598 0.00 0.00 H+0 HETATM 86 H UNK 0 3.338 -3.777 -7.123 0.00 0.00 H+0 HETATM 87 H UNK 0 0.708 -1.369 -6.886 0.00 0.00 H+0 HETATM 88 H UNK 0 0.483 4.050 -1.535 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.797 3.544 -2.040 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.858 1.232 2.555 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.492 -0.511 2.735 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.369 -0.671 0.187 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.591 -2.398 0.326 0.00 0.00 H+0 HETATM 94 H UNK 0 -5.512 -5.023 0.636 0.00 0.00 H+0 HETATM 95 H UNK 0 -4.293 -5.533 1.826 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.932 -4.080 -0.870 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.322 -6.372 -0.845 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.458 -5.055 0.597 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.311 -3.961 -1.400 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.452 -2.827 1.743 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.639 -4.970 2.579 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 63 CONECT 3 2 4 49 64 CONECT 4 3 5 6 65 CONECT 5 4 66 67 68 CONECT 6 4 7 CONECT 7 6 8 47 69 CONECT 8 7 9 CONECT 9 8 10 45 70 CONECT 10 9 11 24 CONECT 11 10 12 71 CONECT 12 11 13 14 CONECT 13 12 72 73 74 CONECT 14 12 15 22 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 75 CONECT 18 17 19 76 77 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 78 CONECT 22 14 23 24 CONECT 23 22 79 CONECT 24 22 25 10 CONECT 25 24 26 30 CONECT 26 25 27 45 CONECT 27 26 28 80 CONECT 28 27 29 43 CONECT 29 28 30 32 CONECT 30 29 31 25 CONECT 31 30 81 CONECT 32 29 33 34 CONECT 33 32 CONECT 34 32 35 42 CONECT 35 34 36 82 CONECT 36 35 37 39 CONECT 37 36 38 CONECT 38 37 83 84 85 CONECT 39 36 40 86 CONECT 40 39 41 42 CONECT 41 40 87 CONECT 42 40 43 34 CONECT 43 42 44 28 CONECT 44 43 CONECT 45 26 46 9 88 CONECT 46 45 89 CONECT 47 7 48 49 90 CONECT 48 47 91 CONECT 49 47 50 3 92 CONECT 50 49 51 CONECT 51 50 52 58 93 CONECT 52 51 53 CONECT 53 52 54 94 95 CONECT 54 53 55 56 96 CONECT 55 54 97 CONECT 56 54 57 58 98 CONECT 57 56 99 CONECT 58 56 59 51 100 CONECT 59 58 101 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 2 CONECT 64 3 CONECT 65 4 CONECT 66 5 CONECT 67 5 CONECT 68 5 CONECT 69 7 CONECT 70 9 CONECT 71 11 CONECT 72 13 CONECT 73 13 CONECT 74 13 CONECT 75 17 CONECT 76 18 CONECT 77 18 CONECT 78 21 CONECT 79 23 CONECT 80 27 CONECT 81 31 CONECT 82 35 CONECT 83 38 CONECT 84 38 CONECT 85 38 CONECT 86 39 CONECT 87 41 CONECT 88 45 CONECT 89 46 CONECT 90 47 CONECT 91 48 CONECT 92 49 CONECT 93 51 CONECT 94 53 CONECT 95 53 CONECT 96 54 CONECT 97 55 CONECT 98 56 CONECT 99 57 CONECT 100 58 CONECT 101 59 MASTER 0 0 0 0 0 0 0 0 101 0 214 0 END