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 -7.743 -4.143 -0.408 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.597 -3.163 -0.335 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.076 -2.809 0.808 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.620 -3.383 2.067 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.963 -1.840 0.895 0.00 0.00 C+0 HETATM 6 O UNK 0 -5.453 -0.784 1.682 0.00 0.00 O+0 HETATM 7 C UNK 0 -4.502 -1.393 -0.469 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.000 -2.489 -1.189 0.00 0.00 O+0 HETATM 9 C UNK 0 -3.448 -0.290 -0.399 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.046 0.935 0.155 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.739 1.187 1.483 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.821 2.209 -0.607 0.00 0.00 C+0 HETATM 13 O UNK 0 -4.567 2.248 -1.792 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.422 2.619 -0.866 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.468 3.542 -2.103 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.850 3.490 0.244 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.730 4.327 -0.271 0.00 0.00 C+0 HETATM 18 C UNK 0 0.255 4.715 0.809 0.00 0.00 C+0 HETATM 19 C UNK 0 1.693 4.401 0.406 0.00 0.00 C+0 HETATM 20 C UNK 0 1.844 3.057 -0.194 0.00 0.00 C+0 HETATM 21 O UNK 0 0.773 2.242 0.081 0.00 0.00 O+0 HETATM 22 C UNK 0 1.970 1.875 0.621 0.00 0.00 C+0 HETATM 23 C UNK 0 2.354 2.030 2.043 0.00 0.00 C+0 HETATM 24 C UNK 0 2.704 0.788 -0.148 0.00 0.00 C+0 HETATM 25 C UNK 0 4.114 1.404 -0.289 0.00 0.00 C+0 HETATM 26 O UNK 0 4.552 1.731 -1.568 0.00 0.00 O+0 HETATM 27 C UNK 0 5.017 0.539 -1.074 0.00 0.00 C+0 HETATM 28 C UNK 0 4.378 -0.781 -1.437 0.00 0.00 C+0 HETATM 29 C UNK 0 5.344 -1.635 -2.191 0.00 0.00 C+0 HETATM 30 C UNK 0 5.971 -2.732 -1.387 0.00 0.00 C+0 HETATM 31 C UNK 0 7.309 -3.074 -2.006 0.00 0.00 C+0 HETATM 32 C UNK 0 6.199 -2.310 0.023 0.00 0.00 C+0 HETATM 33 C UNK 0 4.918 -1.937 0.742 0.00 0.00 C+0 HETATM 34 C UNK 0 5.305 -1.095 1.912 0.00 0.00 C+0 HETATM 35 C UNK 0 3.881 -1.391 -0.172 0.00 0.00 C+0 HETATM 36 C UNK 0 2.849 -0.500 0.515 0.00 0.00 C+0 HETATM 37 C UNK 0 1.684 -1.295 0.947 0.00 0.00 C+0 HETATM 38 O UNK 0 2.219 -2.542 1.456 0.00 0.00 O+0 HETATM 39 C UNK 0 0.516 -0.777 0.799 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.059 -0.811 -0.573 0.00 0.00 C+0 HETATM 41 O UNK 0 0.035 -0.505 -1.752 0.00 0.00 O+0 HETATM 42 C UNK 0 -1.383 -1.586 -0.417 0.00 0.00 C+0 HETATM 43 N UNK 0 -2.311 -0.756 0.299 0.00 0.00 N+0 HETATM 44 O UNK 0 -1.640 0.198 1.029 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.445 -0.160 1.759 0.00 0.00 C+0 HETATM 46 O UNK 0 -0.534 0.134 2.949 0.00 0.00 O+0 HETATM 47 H UNK 0 -8.329 -4.018 0.526 0.00 0.00 H+0 HETATM 48 H UNK 0 -8.386 -3.872 -1.258 0.00 0.00 H+0 HETATM 49 H UNK 0 -7.281 -5.153 -0.508 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.251 -2.781 -1.272 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.907 -4.446 1.910 0.00 0.00 H+0 HETATM 52 H UNK 0 -7.511 -2.750 2.346 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.855 -3.268 2.854 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.062 -2.291 1.380 0.00 0.00 H+0 HETATM 55 H UNK 0 -6.433 -0.680 1.544 0.00 0.00 H+0 HETATM 56 H UNK 0 -5.360 -0.999 -1.023 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.035 -2.353 -2.166 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.163 -0.116 -1.470 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.177 0.816 0.133 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.975 2.095 1.759 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.271 3.022 0.042 0.00 0.00 H+0 HETATM 62 H UNK 0 -5.504 2.440 -1.536 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.730 1.810 -1.173 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.520 3.484 -2.678 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.761 4.540 -1.784 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.248 3.172 -2.818 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.699 4.184 0.519 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.644 2.936 1.172 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.174 5.291 -0.651 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.219 3.917 -1.179 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.030 4.208 1.750 0.00 0.00 H+0 HETATM 72 H UNK 0 0.235 5.813 1.026 0.00 0.00 H+0 HETATM 73 H UNK 0 1.905 5.157 -0.413 0.00 0.00 H+0 HETATM 74 H UNK 0 2.360 4.678 1.215 0.00 0.00 H+0 HETATM 75 H UNK 0 2.158 2.982 -1.278 0.00 0.00 H+0 HETATM 76 H UNK 0 2.392 3.072 2.421 0.00 0.00 H+0 HETATM 77 H UNK 0 1.797 1.462 2.785 0.00 0.00 H+0 HETATM 78 H UNK 0 3.422 1.669 2.152 0.00 0.00 H+0 HETATM 79 H UNK 0 2.329 0.784 -1.184 0.00 0.00 H+0 HETATM 80 H UNK 0 4.496 2.050 0.499 0.00 0.00 H+0 HETATM 81 H UNK 0 6.105 0.520 -0.907 0.00 0.00 H+0 HETATM 82 H UNK 0 3.493 -0.655 -2.115 0.00 0.00 H+0 HETATM 83 H UNK 0 6.153 -0.975 -2.579 0.00 0.00 H+0 HETATM 84 H UNK 0 4.897 -2.115 -3.102 0.00 0.00 H+0 HETATM 85 H UNK 0 5.363 -3.663 -1.380 0.00 0.00 H+0 HETATM 86 H UNK 0 7.519 -4.154 -2.022 0.00 0.00 H+0 HETATM 87 H UNK 0 7.391 -2.654 -3.046 0.00 0.00 H+0 HETATM 88 H UNK 0 8.162 -2.599 -1.452 0.00 0.00 H+0 HETATM 89 H UNK 0 6.696 -3.166 0.564 0.00 0.00 H+0 HETATM 90 H UNK 0 6.938 -1.489 0.077 0.00 0.00 H+0 HETATM 91 H UNK 0 4.564 -2.916 1.193 0.00 0.00 H+0 HETATM 92 H UNK 0 5.592 -0.067 1.705 0.00 0.00 H+0 HETATM 93 H UNK 0 6.251 -1.568 2.323 0.00 0.00 H+0 HETATM 94 H UNK 0 4.595 -1.198 2.785 0.00 0.00 H+0 HETATM 95 H UNK 0 3.270 -2.290 -0.513 0.00 0.00 H+0 HETATM 96 H UNK 0 3.345 -0.259 1.493 0.00 0.00 H+0 HETATM 97 H UNK 0 2.523 -2.630 2.393 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.165 -2.468 0.221 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.727 -1.999 -1.357 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 1 3 50 CONECT 3 2 4 5 CONECT 4 3 51 52 53 CONECT 5 3 6 7 54 CONECT 6 5 55 CONECT 7 5 8 9 56 CONECT 8 7 57 CONECT 9 7 10 43 58 CONECT 10 9 11 12 59 CONECT 11 10 60 CONECT 12 10 13 14 61 CONECT 13 12 62 CONECT 14 12 15 16 63 CONECT 15 14 64 65 66 CONECT 16 14 17 67 68 CONECT 17 16 18 69 70 CONECT 18 17 19 71 72 CONECT 19 18 20 73 74 CONECT 20 19 21 22 75 CONECT 21 20 22 CONECT 22 21 23 24 20 CONECT 23 22 76 77 78 CONECT 24 22 25 36 79 CONECT 25 24 26 27 80 CONECT 26 25 27 CONECT 27 26 28 25 81 CONECT 28 27 29 35 82 CONECT 29 28 30 83 84 CONECT 30 29 31 32 85 CONECT 31 30 86 87 88 CONECT 32 30 33 89 90 CONECT 33 32 34 35 91 CONECT 34 33 92 93 94 CONECT 35 33 36 28 95 CONECT 36 35 37 24 96 CONECT 37 36 38 39 CONECT 38 37 97 CONECT 39 37 40 45 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 98 99 CONECT 43 42 44 9 CONECT 44 43 45 CONECT 45 44 46 39 CONECT 46 45 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 2 CONECT 51 4 CONECT 52 4 CONECT 53 4 CONECT 54 5 CONECT 55 6 CONECT 56 7 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 11 CONECT 61 12 CONECT 62 13 CONECT 63 14 CONECT 64 15 CONECT 65 15 CONECT 66 15 CONECT 67 16 CONECT 68 16 CONECT 69 17 CONECT 70 17 CONECT 71 18 CONECT 72 18 CONECT 73 19 CONECT 74 19 CONECT 75 20 CONECT 76 23 CONECT 77 23 CONECT 78 23 CONECT 79 24 CONECT 80 25 CONECT 81 27 CONECT 82 28 CONECT 83 29 CONECT 84 29 CONECT 85 30 CONECT 86 31 CONECT 87 31 CONECT 88 31 CONECT 89 32 CONECT 90 32 CONECT 91 33 CONECT 92 34 CONECT 93 34 CONECT 94 34 CONECT 95 35 CONECT 96 36 CONECT 97 38 CONECT 98 42 CONECT 99 42 MASTER 0 0 0 0 0 0 0 0 99 0 208 0 END