HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -0.891 2.513 -2.236 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.463 2.018 -0.970 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.406 1.389 -0.200 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.763 1.726 -0.274 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.693 1.119 0.571 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.272 0.186 1.509 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.904 -0.150 1.594 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.476 -1.067 2.523 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.943 0.437 0.744 0.00 0.00 C+0 HETATM 10 C UNK 0 0.555 0.068 0.788 0.00 0.00 C+0 HETATM 11 C UNK 0 1.269 0.271 2.160 0.00 0.00 C+0 HETATM 12 C UNK 0 1.651 1.734 2.493 0.00 0.00 C+0 HETATM 13 C UNK 0 0.445 2.612 2.826 0.00 0.00 C+0 HETATM 14 C UNK 0 2.623 1.749 3.679 0.00 0.00 C+0 HETATM 15 C UNK 0 0.849 -1.299 0.121 0.00 0.00 C+0 HETATM 16 C UNK 0 1.162 -1.339 -1.260 0.00 0.00 C+0 HETATM 17 O UNK 0 1.208 -0.155 -1.953 0.00 0.00 O+0 HETATM 18 C UNK 0 2.383 0.006 -2.760 0.00 0.00 C+0 HETATM 19 C UNK 0 2.821 1.436 -2.620 0.00 0.00 C+0 HETATM 20 C UNK 0 2.971 2.382 -3.569 0.00 0.00 C+0 HETATM 21 C UNK 0 2.721 2.142 -5.038 0.00 0.00 C+0 HETATM 22 C UNK 0 3.414 3.815 -3.281 0.00 0.00 C+0 HETATM 23 C UNK 0 3.560 4.298 -1.827 0.00 0.00 C+0 HETATM 24 C UNK 0 2.242 4.493 -1.123 0.00 0.00 C+0 HETATM 25 C UNK 0 1.576 5.648 -0.926 0.00 0.00 C+0 HETATM 26 C UNK 0 0.279 5.662 -0.159 0.00 0.00 C+0 HETATM 27 C UNK 0 2.012 6.995 -1.431 0.00 0.00 C+0 HETATM 28 C UNK 0 1.380 -2.547 -1.931 0.00 0.00 C+0 HETATM 29 C UNK 0 1.377 -3.739 -1.224 0.00 0.00 C+0 HETATM 30 O UNK 0 1.585 -4.882 -1.951 0.00 0.00 O+0 HETATM 31 C UNK 0 1.172 -3.742 0.159 0.00 0.00 C+0 HETATM 32 C UNK 0 1.244 -5.043 0.870 0.00 0.00 C+0 HETATM 33 O UNK 0 0.805 -6.038 0.287 0.00 0.00 O+0 HETATM 34 C UNK 0 1.897 -5.210 2.193 0.00 0.00 C+0 HETATM 35 C UNK 0 2.981 -4.415 2.588 0.00 0.00 C+0 HETATM 36 C UNK 0 3.588 -4.630 3.828 0.00 0.00 C+0 HETATM 37 C UNK 0 3.126 -5.644 4.667 0.00 0.00 C+0 HETATM 38 C UNK 0 2.060 -6.450 4.269 0.00 0.00 C+0 HETATM 39 C UNK 0 1.450 -6.239 3.031 0.00 0.00 C+0 HETATM 40 C UNK 0 0.860 -2.533 0.810 0.00 0.00 C+0 HETATM 41 O UNK 0 0.553 -2.606 2.140 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.269 -0.433 2.408 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.902 -1.243 3.258 0.00 0.00 O+0 HETATM 44 C UNK 0 -5.696 -0.081 2.297 0.00 0.00 C+0 HETATM 45 C UNK 0 -6.652 -0.668 3.135 0.00 0.00 C+0 HETATM 46 O UNK 0 -6.340 -1.588 4.100 0.00 0.00 O+0 HETATM 47 C UNK 0 -7.999 -0.328 3.024 0.00 0.00 C+0 HETATM 48 C UNK 0 -8.418 0.600 2.063 0.00 0.00 C+0 HETATM 49 C UNK 0 -9.863 0.991 1.964 0.00 0.00 C+0 HETATM 50 C UNK 0 -7.461 1.199 1.235 0.00 0.00 C+0 HETATM 51 C UNK 0 -6.106 0.854 1.350 0.00 0.00 C+0 HETATM 52 C UNK 0 -5.117 1.495 0.462 0.00 0.00 C+0 HETATM 53 O UNK 0 -5.474 2.332 -0.360 0.00 0.00 O+0 HETATM 54 H UNK 0 -0.002 2.733 -2.832 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.483 1.769 -2.781 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.445 3.449 -2.116 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.112 2.480 -0.975 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.251 -1.360 3.061 0.00 0.00 H+0 HETATM 59 H UNK 0 1.088 0.796 0.166 0.00 0.00 H+0 HETATM 60 H UNK 0 0.693 -0.133 2.997 0.00 0.00 H+0 HETATM 61 H UNK 0 2.207 -0.302 2.134 0.00 0.00 H+0 HETATM 62 H UNK 0 2.174 2.173 1.635 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.177 2.157 3.604 0.00 0.00 H+0 HETATM 64 H UNK 0 0.767 3.595 3.186 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.177 2.789 1.948 0.00 0.00 H+0 HETATM 66 H UNK 0 3.525 1.170 3.453 0.00 0.00 H+0 HETATM 67 H UNK 0 2.938 2.772 3.913 0.00 0.00 H+0 HETATM 68 H UNK 0 2.161 1.322 4.576 0.00 0.00 H+0 HETATM 69 H UNK 0 2.131 -0.272 -3.785 0.00 0.00 H+0 HETATM 70 H UNK 0 3.211 -0.628 -2.417 0.00 0.00 H+0 HETATM 71 H UNK 0 3.031 1.689 -1.584 0.00 0.00 H+0 HETATM 72 H UNK 0 1.892 2.768 -5.384 0.00 0.00 H+0 HETATM 73 H UNK 0 3.614 2.402 -5.617 0.00 0.00 H+0 HETATM 74 H UNK 0 2.474 1.108 -5.281 0.00 0.00 H+0 HETATM 75 H UNK 0 4.392 3.946 -3.764 0.00 0.00 H+0 HETATM 76 H UNK 0 2.724 4.497 -3.796 0.00 0.00 H+0 HETATM 77 H UNK 0 4.128 5.234 -1.830 0.00 0.00 H+0 HETATM 78 H UNK 0 4.176 3.601 -1.246 0.00 0.00 H+0 HETATM 79 H UNK 0 1.809 3.578 -0.720 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.535 6.019 -0.797 0.00 0.00 H+0 HETATM 81 H UNK 0 0.002 4.670 0.211 0.00 0.00 H+0 HETATM 82 H UNK 0 0.360 6.327 0.708 0.00 0.00 H+0 HETATM 83 H UNK 0 2.876 6.949 -2.098 0.00 0.00 H+0 HETATM 84 H UNK 0 1.200 7.465 -1.997 0.00 0.00 H+0 HETATM 85 H UNK 0 2.268 7.648 -0.590 0.00 0.00 H+0 HETATM 86 H UNK 0 1.544 -2.571 -3.004 0.00 0.00 H+0 HETATM 87 H UNK 0 1.313 -5.642 -1.387 0.00 0.00 H+0 HETATM 88 H UNK 0 3.364 -3.629 1.944 0.00 0.00 H+0 HETATM 89 H UNK 0 4.423 -4.008 4.137 0.00 0.00 H+0 HETATM 90 H UNK 0 3.601 -5.810 5.631 0.00 0.00 H+0 HETATM 91 H UNK 0 1.706 -7.246 4.919 0.00 0.00 H+0 HETATM 92 H UNK 0 0.625 -6.876 2.722 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.146 -1.945 2.323 0.00 0.00 H+0 HETATM 94 H UNK 0 -5.371 -1.746 4.080 0.00 0.00 H+0 HETATM 95 H UNK 0 -8.721 -0.794 3.692 0.00 0.00 H+0 HETATM 96 H UNK 0 -10.514 0.159 2.251 0.00 0.00 H+0 HETATM 97 H UNK 0 -10.123 1.267 0.937 0.00 0.00 H+0 HETATM 98 H UNK 0 -10.066 1.843 2.621 0.00 0.00 H+0 HETATM 99 H UNK 0 -7.771 1.937 0.496 0.00 0.00 H+0 CONECT 1 2 54 55 56 CONECT 2 3 1 CONECT 3 2 4 9 CONECT 4 5 3 57 CONECT 5 6 4 52 CONECT 6 7 5 42 CONECT 7 6 8 9 CONECT 8 7 58 CONECT 9 10 3 7 CONECT 10 9 11 15 59 CONECT 11 10 12 60 61 CONECT 12 11 13 14 62 CONECT 13 12 63 64 65 CONECT 14 12 66 67 68 CONECT 15 16 10 40 CONECT 16 28 15 17 CONECT 17 16 18 CONECT 18 17 19 69 70 CONECT 19 18 20 71 CONECT 20 19 22 21 CONECT 21 20 72 73 74 CONECT 22 20 23 75 76 CONECT 23 22 24 77 78 CONECT 24 23 25 79 CONECT 25 24 26 27 CONECT 26 25 80 81 82 CONECT 27 25 83 84 85 CONECT 28 16 29 86 CONECT 29 30 31 28 CONECT 30 29 87 CONECT 31 32 40 29 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 35 39 32 CONECT 35 34 36 88 CONECT 36 35 37 89 CONECT 37 36 38 90 CONECT 38 37 39 91 CONECT 39 38 34 92 CONECT 40 41 15 31 CONECT 41 40 93 CONECT 42 43 6 44 CONECT 43 42 CONECT 44 45 51 42 CONECT 45 44 47 46 CONECT 46 45 94 CONECT 47 45 48 95 CONECT 48 50 49 47 CONECT 49 48 96 97 98 CONECT 50 48 51 99 CONECT 51 50 44 52 CONECT 52 51 53 5 CONECT 53 52 CONECT 54 1 CONECT 55 1 CONECT 56 1 CONECT 57 4 CONECT 58 8 CONECT 59 10 CONECT 60 11 CONECT 61 11 CONECT 62 12 CONECT 63 13 CONECT 64 13 CONECT 65 13 CONECT 66 14 CONECT 67 14 CONECT 68 14 CONECT 69 18 CONECT 70 18 CONECT 71 19 CONECT 72 21 CONECT 73 21 CONECT 74 21 CONECT 75 22 CONECT 76 22 CONECT 77 23 CONECT 78 23 CONECT 79 24 CONECT 80 26 CONECT 81 26 CONECT 82 26 CONECT 83 27 CONECT 84 27 CONECT 85 27 CONECT 86 28 CONECT 87 30 CONECT 88 35 CONECT 89 36 CONECT 90 37 CONECT 91 38 CONECT 92 39 CONECT 93 41 CONECT 94 46 CONECT 95 47 CONECT 96 49 CONECT 97 49 CONECT 98 49 CONECT 99 50 MASTER 0 0 0 0 0 0 0 0 99 0 206 0 END