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 -1.053 6.558 -1.729 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.328 6.193 -0.290 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.862 4.813 -0.034 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.002 4.258 1.086 0.00 0.00 O+0 HETATM 5 O UNK 0 -0.254 4.086 -1.022 0.00 0.00 O+0 HETATM 6 C UNK 0 0.224 2.784 -0.904 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.393 1.788 -1.819 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.829 1.692 -1.474 0.00 0.00 C+0 HETATM 9 O UNK 0 -2.576 2.643 -1.774 0.00 0.00 O+0 HETATM 10 N UNK 0 -2.415 0.540 -0.799 0.00 0.00 N+0 HETATM 11 C UNK 0 -3.886 0.647 -0.555 0.00 0.00 C+0 HETATM 12 O UNK 0 -4.436 -0.477 -0.182 0.00 0.00 O+0 HETATM 13 C UNK 0 -5.526 -0.581 0.590 0.00 0.00 C+0 HETATM 14 C UNK 0 -6.504 -1.570 -0.070 0.00 0.00 C+0 HETATM 15 O UNK 0 -7.643 -1.715 0.683 0.00 0.00 O+0 HETATM 16 C UNK 0 -6.324 0.647 0.869 0.00 0.00 C+0 HETATM 17 O UNK 0 -7.287 0.904 -0.097 0.00 0.00 O+0 HETATM 18 C UNK 0 -5.369 1.787 1.059 0.00 0.00 C+0 HETATM 19 O UNK 0 -5.740 2.781 0.133 0.00 0.00 O+0 HETATM 20 C UNK 0 -3.929 1.387 0.890 0.00 0.00 C+0 HETATM 21 O UNK 0 -3.600 0.510 1.862 0.00 0.00 O+0 HETATM 22 C UNK 0 -1.715 -0.660 -0.398 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.633 -0.842 0.443 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.199 -2.135 0.662 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.861 -3.221 0.032 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.935 -3.069 -0.807 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.563 -4.154 -1.411 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.052 -5.442 -1.132 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.342 -1.783 -1.006 0.00 0.00 C+0 HETATM 30 Cl UNK 0 -3.693 -1.598 -2.127 0.00 0.00 Cl+0 HETATM 31 C UNK 0 0.893 -2.692 1.503 0.00 0.00 C+0 HETATM 32 C UNK 0 1.475 -3.872 0.760 0.00 0.00 C+0 HETATM 33 C UNK 0 1.803 -5.103 1.535 0.00 0.00 C+0 HETATM 34 C UNK 0 1.710 -3.881 -0.532 0.00 0.00 C+0 HETATM 35 C UNK 0 2.159 -2.700 -1.215 0.00 0.00 C+0 HETATM 36 C UNK 0 3.232 -2.004 -0.912 0.00 0.00 C+0 HETATM 37 C UNK 0 4.181 -2.407 0.153 0.00 0.00 C+0 HETATM 38 O UNK 0 5.197 -3.226 -0.362 0.00 0.00 O+0 HETATM 39 C UNK 0 5.292 -4.448 0.251 0.00 0.00 C+0 HETATM 40 C UNK 0 4.804 -1.186 0.795 0.00 0.00 C+0 HETATM 41 O UNK 0 6.173 -1.200 0.492 0.00 0.00 O+0 HETATM 42 C UNK 0 4.139 0.045 0.276 0.00 0.00 C+0 HETATM 43 C UNK 0 4.307 1.228 1.222 0.00 0.00 C+0 HETATM 44 O UNK 0 3.835 0.943 2.502 0.00 0.00 O+0 HETATM 45 C UNK 0 3.837 -0.382 2.917 0.00 0.00 C+0 HETATM 46 O UNK 0 3.111 -0.777 3.877 0.00 0.00 O+0 HETATM 47 N UNK 0 4.678 -1.298 2.236 0.00 0.00 N+0 HETATM 48 C UNK 0 3.669 2.473 0.640 0.00 0.00 C+0 HETATM 49 C UNK 0 4.675 3.137 -0.242 0.00 0.00 C+0 HETATM 50 C UNK 0 2.378 2.109 -0.005 0.00 0.00 C+0 HETATM 51 O UNK 0 2.328 1.492 -1.251 0.00 0.00 O+0 HETATM 52 C UNK 0 1.757 2.832 -0.997 0.00 0.00 C+0 HETATM 53 C UNK 0 2.286 3.786 -2.002 0.00 0.00 C+0 HETATM 54 H UNK 0 -2.032 6.885 -2.174 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.312 7.400 -1.803 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.622 5.707 -2.292 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.398 6.235 -0.021 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.783 6.891 0.400 0.00 0.00 H+0 HETATM 59 H UNK 0 0.005 2.452 0.136 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.211 1.960 -2.892 0.00 0.00 H+0 HETATM 61 H UNK 0 0.108 0.801 -1.593 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.317 1.497 -1.032 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.278 -1.078 1.564 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.964 -2.529 -0.236 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.728 -1.162 -1.082 0.00 0.00 H+0 HETATM 66 H UNK 0 -8.337 -2.127 0.115 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.864 0.496 1.827 0.00 0.00 H+0 HETATM 68 H UNK 0 -8.001 1.478 0.324 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.453 2.265 2.057 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.009 3.433 0.135 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.389 2.309 0.778 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.061 0.624 2.718 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.111 0.035 0.959 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.536 -4.263 0.213 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.971 -5.471 -1.374 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.637 -6.177 -1.719 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.142 -5.735 -0.068 0.00 0.00 H+0 HETATM 78 H UNK 0 0.517 -3.136 2.454 0.00 0.00 H+0 HETATM 79 H UNK 0 1.724 -2.060 1.829 0.00 0.00 H+0 HETATM 80 H UNK 0 1.084 -5.238 2.390 0.00 0.00 H+0 HETATM 81 H UNK 0 1.716 -6.028 0.929 0.00 0.00 H+0 HETATM 82 H UNK 0 2.818 -5.045 1.980 0.00 0.00 H+0 HETATM 83 H UNK 0 1.548 -4.832 -1.106 0.00 0.00 H+0 HETATM 84 H UNK 0 1.579 -2.349 -2.087 0.00 0.00 H+0 HETATM 85 H UNK 0 3.423 -1.090 -1.499 0.00 0.00 H+0 HETATM 86 H UNK 0 3.718 -3.007 0.957 0.00 0.00 H+0 HETATM 87 H UNK 0 4.311 -4.977 0.100 0.00 0.00 H+0 HETATM 88 H UNK 0 5.500 -4.364 1.339 0.00 0.00 H+0 HETATM 89 H UNK 0 6.053 -5.069 -0.263 0.00 0.00 H+0 HETATM 90 H UNK 0 6.285 -0.689 -0.357 0.00 0.00 H+0 HETATM 91 H UNK 0 3.070 -0.142 0.214 0.00 0.00 H+0 HETATM 92 H UNK 0 4.544 0.325 -0.713 0.00 0.00 H+0 HETATM 93 H UNK 0 5.400 1.417 1.277 0.00 0.00 H+0 HETATM 94 H UNK 0 5.191 -2.039 2.783 0.00 0.00 H+0 HETATM 95 H UNK 0 3.454 3.155 1.486 0.00 0.00 H+0 HETATM 96 H UNK 0 4.944 2.498 -1.130 0.00 0.00 H+0 HETATM 97 H UNK 0 4.436 4.165 -0.531 0.00 0.00 H+0 HETATM 98 H UNK 0 5.623 3.193 0.346 0.00 0.00 H+0 HETATM 99 H UNK 0 1.729 1.544 0.734 0.00 0.00 H+0 HETATM 100 H UNK 0 3.230 3.462 -2.503 0.00 0.00 H+0 HETATM 101 H UNK 0 2.384 4.843 -1.615 0.00 0.00 H+0 HETATM 102 H UNK 0 1.562 3.895 -2.865 0.00 0.00 H+0 CONECT 1 2 54 55 56 CONECT 2 1 3 57 58 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 CONECT 6 5 7 52 59 CONECT 7 6 8 60 61 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 22 CONECT 11 10 12 20 62 CONECT 12 11 13 CONECT 13 12 14 16 63 CONECT 14 13 15 64 65 CONECT 15 14 66 CONECT 16 13 17 18 67 CONECT 17 16 68 CONECT 18 16 19 20 69 CONECT 19 18 70 CONECT 20 18 21 11 71 CONECT 21 20 72 CONECT 22 10 23 29 CONECT 23 22 24 73 CONECT 24 23 25 31 CONECT 25 24 26 74 CONECT 26 25 27 29 CONECT 27 26 28 CONECT 28 27 75 76 77 CONECT 29 26 30 22 CONECT 30 29 CONECT 31 24 32 78 79 CONECT 32 31 33 34 CONECT 33 32 80 81 82 CONECT 34 32 35 83 CONECT 35 34 36 84 CONECT 36 35 37 85 CONECT 37 36 38 40 86 CONECT 38 37 39 CONECT 39 38 87 88 89 CONECT 40 37 41 42 47 CONECT 41 40 90 CONECT 42 40 43 91 92 CONECT 43 42 44 48 93 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 40 94 CONECT 48 43 49 50 95 CONECT 49 48 96 97 98 CONECT 50 48 51 52 99 CONECT 51 50 52 CONECT 52 51 53 6 50 CONECT 53 52 100 101 102 CONECT 54 1 CONECT 55 1 CONECT 56 1 CONECT 57 2 CONECT 58 2 CONECT 59 6 CONECT 60 7 CONECT 61 7 CONECT 62 11 CONECT 63 13 CONECT 64 14 CONECT 65 14 CONECT 66 15 CONECT 67 16 CONECT 68 17 CONECT 69 18 CONECT 70 19 CONECT 71 20 CONECT 72 21 CONECT 73 23 CONECT 74 25 CONECT 75 28 CONECT 76 28 CONECT 77 28 CONECT 78 31 CONECT 79 31 CONECT 80 33 CONECT 81 33 CONECT 82 33 CONECT 83 34 CONECT 84 35 CONECT 85 36 CONECT 86 37 CONECT 87 39 CONECT 88 39 CONECT 89 39 CONECT 90 41 CONECT 91 42 CONECT 92 42 CONECT 93 43 CONECT 94 47 CONECT 95 48 CONECT 96 49 CONECT 97 49 CONECT 98 49 CONECT 99 50 CONECT 100 53 CONECT 101 53 CONECT 102 53 MASTER 0 0 0 0 0 0 0 0 102 0 212 0 END