HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -9.608 -6.197 -2.803 0.00 0.00 C+0 HETATM 2 C UNK 0 -8.221 -6.237 -3.434 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.357 -7.215 -2.702 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.228 -6.820 -1.267 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.531 -5.513 -1.153 0.00 0.00 C+0 HETATM 6 O UNK 0 -5.983 -5.032 -2.170 0.00 0.00 O+0 HETATM 7 N UNK 0 -6.470 -4.804 0.068 0.00 0.00 N+0 HETATM 8 C UNK 0 -5.779 -3.545 0.155 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.327 -3.747 -0.157 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.588 -2.421 -0.054 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.651 -1.787 1.284 0.00 0.00 C+0 HETATM 12 N UNK 0 -2.862 -0.558 1.285 0.00 0.00 N+0 HETATM 13 C UNK 0 -3.406 0.743 1.038 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.298 1.143 -0.382 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.899 2.519 -0.601 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.188 3.528 0.222 0.00 0.00 C+0 HETATM 17 N UNK 0 -3.797 4.843 -0.046 0.00 0.00 N+0 HETATM 18 C UNK 0 -3.305 5.992 0.621 0.00 0.00 C+0 HETATM 19 O UNK 0 -2.357 5.870 1.431 0.00 0.00 O+0 HETATM 20 C UNK 0 -3.875 7.341 0.394 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.200 8.359 1.265 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.362 7.278 0.636 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.498 -0.710 1.613 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.032 -1.864 1.877 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.577 0.422 1.663 0.00 0.00 C+0 HETATM 26 C UNK 0 0.785 -0.002 2.247 0.00 0.00 C+0 HETATM 27 C UNK 0 1.660 1.217 2.247 0.00 0.00 C+0 HETATM 28 C UNK 0 3.034 1.038 2.759 0.00 0.00 C+0 HETATM 29 C UNK 0 3.943 0.175 1.979 0.00 0.00 C+0 HETATM 30 C UNK 0 3.710 -0.396 0.827 0.00 0.00 C+0 HETATM 31 C UNK 0 4.498 -1.241 -0.015 0.00 0.00 C+0 HETATM 32 C UNK 0 5.874 -1.634 0.149 0.00 0.00 C+0 HETATM 33 C UNK 0 6.991 -0.637 -0.059 0.00 0.00 C+0 HETATM 34 C UNK 0 7.084 0.548 0.757 0.00 0.00 C+0 HETATM 35 C UNK 0 8.229 1.447 0.566 0.00 0.00 C+0 HETATM 36 C UNK 0 8.516 2.163 -0.676 0.00 0.00 C+0 HETATM 37 C UNK 0 8.891 1.369 -1.866 0.00 0.00 C+0 HETATM 38 C UNK 0 10.136 0.548 -1.536 0.00 0.00 C+0 HETATM 39 C UNK 0 11.278 1.480 -1.166 0.00 0.00 C+0 HETATM 40 C UNK 0 10.470 -0.282 -2.741 0.00 0.00 C+0 HETATM 41 H UNK 0 -9.741 -7.162 -2.280 0.00 0.00 H+0 HETATM 42 H UNK 0 -9.670 -5.370 -2.054 0.00 0.00 H+0 HETATM 43 H UNK 0 -10.382 -6.046 -3.558 0.00 0.00 H+0 HETATM 44 H UNK 0 -7.821 -5.226 -3.347 0.00 0.00 H+0 HETATM 45 H UNK 0 -8.291 -6.541 -4.508 0.00 0.00 H+0 HETATM 46 H UNK 0 -7.700 -8.268 -2.826 0.00 0.00 H+0 HETATM 47 H UNK 0 -6.316 -7.102 -3.142 0.00 0.00 H+0 HETATM 48 H UNK 0 -8.207 -6.784 -0.729 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.658 -7.634 -0.764 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.943 -5.205 0.939 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.180 -2.884 -0.672 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.939 -3.054 1.141 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.854 -4.517 0.495 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.225 -4.044 -1.216 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.108 -1.765 -0.804 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.529 -2.567 -0.322 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.221 -2.446 2.066 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.703 -1.557 1.597 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.790 1.466 1.654 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.434 0.864 1.458 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.824 0.467 -1.104 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.257 1.190 -0.746 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.963 2.450 -0.284 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.914 2.755 -1.675 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.290 3.327 1.310 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.109 3.608 -0.001 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.584 4.912 -0.724 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.716 7.664 -0.660 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.813 8.564 2.190 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.231 7.939 1.617 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.056 9.347 0.781 0.00 0.00 H+0 HETATM 72 H UNK 0 -5.756 8.300 0.810 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.863 6.806 -0.244 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.538 6.595 1.493 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.928 1.227 2.368 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.420 0.826 0.663 0.00 0.00 H+0 HETATM 77 H UNK 0 1.190 -0.894 1.798 0.00 0.00 H+0 HETATM 78 H UNK 0 0.572 -0.203 3.361 0.00 0.00 H+0 HETATM 79 H UNK 0 1.127 2.084 2.696 0.00 0.00 H+0 HETATM 80 H UNK 0 1.757 1.507 1.154 0.00 0.00 H+0 HETATM 81 H UNK 0 3.468 2.074 2.887 0.00 0.00 H+0 HETATM 82 H UNK 0 2.942 0.593 3.792 0.00 0.00 H+0 HETATM 83 H UNK 0 4.942 -0.078 2.401 0.00 0.00 H+0 HETATM 84 H UNK 0 2.692 -0.145 0.386 0.00 0.00 H+0 HETATM 85 H UNK 0 4.423 -0.769 -1.081 0.00 0.00 H+0 HETATM 86 H UNK 0 3.890 -2.210 -0.196 0.00 0.00 H+0 HETATM 87 H UNK 0 6.082 -2.253 1.076 0.00 0.00 H+0 HETATM 88 H UNK 0 6.085 -2.422 -0.663 0.00 0.00 H+0 HETATM 89 H UNK 0 7.964 -1.193 -0.060 0.00 0.00 H+0 HETATM 90 H UNK 0 6.870 -0.339 -1.158 0.00 0.00 H+0 HETATM 91 H UNK 0 7.121 0.215 1.849 0.00 0.00 H+0 HETATM 92 H UNK 0 6.157 1.210 0.662 0.00 0.00 H+0 HETATM 93 H UNK 0 8.129 2.241 1.412 0.00 0.00 H+0 HETATM 94 H UNK 0 9.189 0.867 0.908 0.00 0.00 H+0 HETATM 95 H UNK 0 9.365 2.920 -0.522 0.00 0.00 H+0 HETATM 96 H UNK 0 7.654 2.865 -0.954 0.00 0.00 H+0 HETATM 97 H UNK 0 8.100 0.806 -2.317 0.00 0.00 H+0 HETATM 98 H UNK 0 9.202 2.090 -2.721 0.00 0.00 H+0 HETATM 99 H UNK 0 9.970 -0.132 -0.686 0.00 0.00 H+0 HETATM 100 H UNK 0 11.377 1.520 -0.051 0.00 0.00 H+0 HETATM 101 H UNK 0 12.241 1.069 -1.538 0.00 0.00 H+0 HETATM 102 H UNK 0 11.102 2.521 -1.506 0.00 0.00 H+0 HETATM 103 H UNK 0 10.482 0.341 -3.663 0.00 0.00 H+0 HETATM 104 H UNK 0 9.709 -1.067 -2.917 0.00 0.00 H+0 HETATM 105 H UNK 0 11.473 -0.739 -2.555 0.00 0.00 H+0 CONECT 1 2 41 42 43 CONECT 2 1 3 44 45 CONECT 3 2 4 46 47 CONECT 4 3 5 48 49 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 50 CONECT 8 7 9 51 52 CONECT 9 8 10 53 54 CONECT 10 9 11 55 56 CONECT 11 10 12 57 58 CONECT 12 11 13 23 CONECT 13 12 14 59 60 CONECT 14 13 15 61 62 CONECT 15 14 16 63 64 CONECT 16 15 17 65 66 CONECT 17 16 18 67 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 68 CONECT 21 20 69 70 71 CONECT 22 20 72 73 74 CONECT 23 12 24 25 CONECT 24 23 CONECT 25 23 26 75 76 CONECT 26 25 27 77 78 CONECT 27 26 28 79 80 CONECT 28 27 29 81 82 CONECT 29 28 30 83 CONECT 30 29 31 84 CONECT 31 30 32 85 86 CONECT 32 31 33 87 88 CONECT 33 32 34 89 90 CONECT 34 33 35 91 92 CONECT 35 34 36 93 94 CONECT 36 35 37 95 96 CONECT 37 36 38 97 98 CONECT 38 37 39 40 99 CONECT 39 38 100 101 102 CONECT 40 38 103 104 105 CONECT 41 1 CONECT 42 1 CONECT 43 1 CONECT 44 2 CONECT 45 2 CONECT 46 3 CONECT 47 3 CONECT 48 4 CONECT 49 4 CONECT 50 7 CONECT 51 8 CONECT 52 8 CONECT 53 9 CONECT 54 9 CONECT 55 10 CONECT 56 10 CONECT 57 11 CONECT 58 11 CONECT 59 13 CONECT 60 13 CONECT 61 14 CONECT 62 14 CONECT 63 15 CONECT 64 15 CONECT 65 16 CONECT 66 16 CONECT 67 17 CONECT 68 20 CONECT 69 21 CONECT 70 21 CONECT 71 21 CONECT 72 22 CONECT 73 22 CONECT 74 22 CONECT 75 25 CONECT 76 25 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 27 CONECT 81 28 CONECT 82 28 CONECT 83 29 CONECT 84 30 CONECT 85 31 CONECT 86 31 CONECT 87 32 CONECT 88 32 CONECT 89 33 CONECT 90 33 CONECT 91 34 CONECT 92 34 CONECT 93 35 CONECT 94 35 CONECT 95 36 CONECT 96 36 CONECT 97 37 CONECT 98 37 CONECT 99 38 CONECT 100 39 CONECT 101 39 CONECT 102 39 CONECT 103 40 CONECT 104 40 CONECT 105 40 MASTER 0 0 0 0 0 0 0 0 105 0 208 0 END