HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 1.699 5.482 -0.040 0.00 0.00 C+0 HETATM 2 C UNK 0 0.470 6.024 -0.027 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.674 5.366 -0.764 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.716 6.000 -0.966 0.00 0.00 O+0 HETATM 5 C UNK 0 -0.573 3.916 -1.288 0.00 0.00 C+0 HETATM 6 O UNK 0 -1.729 3.634 -2.092 0.00 0.00 O+0 HETATM 7 C UNK 0 -0.473 2.838 -0.171 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.665 2.974 0.791 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.401 1.398 -0.781 0.00 0.00 C+0 HETATM 10 C UNK 0 0.755 1.179 -1.816 0.00 0.00 C+0 HETATM 11 O UNK 0 1.890 2.018 -1.531 0.00 0.00 O+0 HETATM 12 C UNK 0 2.836 2.066 -2.514 0.00 0.00 C+0 HETATM 13 C UNK 0 3.980 2.934 -2.089 0.00 0.00 C+0 HETATM 14 O UNK 0 2.766 1.509 -3.599 0.00 0.00 O+0 HETATM 15 C UNK 0 1.182 -0.303 -1.701 0.00 0.00 C+0 HETATM 16 C UNK 0 0.092 -0.987 -0.859 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.058 -1.372 -1.842 0.00 0.00 C+0 HETATM 18 C UNK 0 0.586 -2.237 -0.084 0.00 0.00 C+0 HETATM 19 C UNK 0 0.922 -3.434 -0.984 0.00 0.00 C+0 HETATM 20 C UNK 0 1.423 -4.609 -0.149 0.00 0.00 C+0 HETATM 21 C UNK 0 0.258 -5.192 0.674 0.00 0.00 C+0 HETATM 22 C UNK 0 0.610 -6.479 1.508 0.00 0.00 C+0 HETATM 23 C UNK 0 1.824 -6.247 2.431 0.00 0.00 C+0 HETATM 24 C UNK 0 0.951 -7.650 0.567 0.00 0.00 C+0 HETATM 25 O UNK 0 1.047 -7.578 -0.649 0.00 0.00 O+0 HETATM 26 O UNK 0 1.133 -8.833 1.207 0.00 0.00 O+0 HETATM 27 C UNK 0 -0.652 -6.940 2.295 0.00 0.00 C+0 HETATM 28 O UNK 0 -0.297 -8.012 3.189 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.318 -5.832 3.103 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.677 -4.649 2.217 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.429 -4.112 1.540 0.00 0.00 C+0 HETATM 32 C UNK 0 0.363 -3.105 2.334 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.357 -2.627 1.082 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.613 -1.772 1.279 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.543 -0.280 0.905 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.271 0.150 0.162 0.00 0.00 C+0 HETATM 37 C UNK 0 0.831 0.429 1.227 0.00 0.00 C+0 HETATM 38 C UNK 0 0.121 7.343 0.660 0.00 0.00 C+0 HETATM 39 C UNK 0 1.316 8.263 0.945 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.639 7.078 1.964 0.00 0.00 C+0 HETATM 41 H UNK 0 1.939 4.562 -0.557 0.00 0.00 H+0 HETATM 42 H UNK 0 2.534 5.947 0.475 0.00 0.00 H+0 HETATM 43 H UNK 0 0.276 3.880 -1.974 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.309 4.421 -2.017 0.00 0.00 H+0 HETATM 45 H UNK 0 0.434 3.027 0.412 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.597 2.633 0.329 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.812 4.008 1.116 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.501 2.401 1.706 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.343 1.270 -1.329 0.00 0.00 H+0 HETATM 50 H UNK 0 0.373 1.408 -2.820 0.00 0.00 H+0 HETATM 51 H UNK 0 4.217 2.759 -1.036 0.00 0.00 H+0 HETATM 52 H UNK 0 3.726 3.984 -2.253 0.00 0.00 H+0 HETATM 53 H UNK 0 4.865 2.677 -2.678 0.00 0.00 H+0 HETATM 54 H UNK 0 1.286 -0.753 -2.695 0.00 0.00 H+0 HETATM 55 H UNK 0 2.167 -0.391 -1.225 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.678 -1.988 -2.665 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.853 -1.946 -1.363 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.528 -0.509 -2.319 0.00 0.00 H+0 HETATM 59 H UNK 0 1.545 -1.957 0.377 0.00 0.00 H+0 HETATM 60 H UNK 0 0.051 -3.761 -1.561 0.00 0.00 H+0 HETATM 61 H UNK 0 1.699 -3.148 -1.703 0.00 0.00 H+0 HETATM 62 H UNK 0 2.250 -4.282 0.490 0.00 0.00 H+0 HETATM 63 H UNK 0 1.837 -5.356 -0.830 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.504 -5.499 -0.060 0.00 0.00 H+0 HETATM 65 H UNK 0 1.654 -5.428 3.134 0.00 0.00 H+0 HETATM 66 H UNK 0 2.727 -6.021 1.853 0.00 0.00 H+0 HETATM 67 H UNK 0 2.067 -7.133 3.028 0.00 0.00 H+0 HETATM 68 H UNK 0 0.874 -8.774 2.159 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.388 -7.354 1.593 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.094 -8.223 3.715 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.659 -5.515 3.922 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.223 -6.220 3.587 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.167 -3.897 2.842 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.405 -4.951 1.453 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.015 -2.780 3.300 0.00 0.00 H+0 HETATM 76 H UNK 0 1.446 -3.158 2.333 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.937 -1.816 2.326 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.429 -2.236 0.712 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.432 -0.038 0.309 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.660 0.296 1.830 0.00 0.00 H+0 HETATM 81 H UNK 0 1.800 0.668 0.780 0.00 0.00 H+0 HETATM 82 H UNK 0 0.556 1.272 1.869 0.00 0.00 H+0 HETATM 83 H UNK 0 0.986 -0.413 1.905 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.536 7.916 -0.008 0.00 0.00 H+0 HETATM 85 H UNK 0 0.969 9.232 1.322 0.00 0.00 H+0 HETATM 86 H UNK 0 1.894 8.454 0.034 0.00 0.00 H+0 HETATM 87 H UNK 0 1.987 7.840 1.701 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.026 6.513 2.675 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.558 6.509 1.786 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.927 8.021 2.444 0.00 0.00 H+0 CONECT 1 2 41 42 CONECT 2 3 38 1 CONECT 3 5 2 4 CONECT 4 3 CONECT 5 3 7 6 43 CONECT 6 5 44 CONECT 7 8 9 5 45 CONECT 8 7 46 47 48 CONECT 9 49 10 36 7 CONECT 10 11 15 9 50 CONECT 11 10 12 CONECT 12 11 14 13 CONECT 13 12 51 52 53 CONECT 14 12 CONECT 15 16 10 54 55 CONECT 16 18 17 36 15 CONECT 17 16 56 57 58 CONECT 18 59 16 19 33 CONECT 19 20 18 60 61 CONECT 20 21 19 62 63 CONECT 21 22 31 64 20 CONECT 22 21 23 27 24 CONECT 23 22 65 66 67 CONECT 24 22 26 25 CONECT 25 24 CONECT 26 24 68 CONECT 27 29 28 22 69 CONECT 28 27 70 CONECT 29 27 30 71 72 CONECT 30 31 29 73 74 CONECT 31 32 30 21 33 CONECT 32 33 31 75 76 CONECT 33 32 34 31 18 CONECT 34 33 35 77 78 CONECT 35 36 34 79 80 CONECT 36 37 35 16 9 CONECT 37 36 81 82 83 CONECT 38 2 39 40 84 CONECT 39 38 85 86 87 CONECT 40 38 88 89 90 CONECT 41 1 CONECT 42 1 CONECT 43 5 CONECT 44 6 CONECT 45 7 CONECT 46 8 CONECT 47 8 CONECT 48 8 CONECT 49 9 CONECT 50 10 CONECT 51 13 CONECT 52 13 CONECT 53 13 CONECT 54 15 CONECT 55 15 CONECT 56 17 CONECT 57 17 CONECT 58 17 CONECT 59 18 CONECT 60 19 CONECT 61 19 CONECT 62 20 CONECT 63 20 CONECT 64 21 CONECT 65 23 CONECT 66 23 CONECT 67 23 CONECT 68 26 CONECT 69 27 CONECT 70 28 CONECT 71 29 CONECT 72 29 CONECT 73 30 CONECT 74 30 CONECT 75 32 CONECT 76 32 CONECT 77 34 CONECT 78 34 CONECT 79 35 CONECT 80 35 CONECT 81 37 CONECT 82 37 CONECT 83 37 CONECT 84 38 CONECT 85 39 CONECT 86 39 CONECT 87 39 CONECT 88 40 CONECT 89 40 CONECT 90 40 MASTER 0 0 0 0 0 0 0 0 90 0 188 0 END