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 -9.491 1.800 -1.142 0.00 0.00 C+0 HETATM 2 C UNK 0 -8.359 1.947 -0.146 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.819 0.570 0.246 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.693 0.812 1.240 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.088 -0.516 1.692 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.497 -1.321 0.608 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.396 -0.866 -0.224 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.177 -2.034 -1.268 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.055 -0.549 0.319 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.123 -0.150 -0.625 0.00 0.00 O+0 HETATM 11 C UNK 0 -1.953 0.326 -1.815 0.00 0.00 C+0 HETATM 12 O UNK 0 -2.280 1.499 -2.202 0.00 0.00 O+0 HETATM 13 C UNK 0 -1.328 -0.444 -2.948 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.072 -1.863 -2.696 0.00 0.00 C+0 HETATM 15 N UNK 0 -0.238 0.354 -3.441 0.00 0.00 N+0 HETATM 16 C UNK 0 1.032 0.019 -3.867 0.00 0.00 C+0 HETATM 17 O UNK 0 1.296 0.217 -5.123 0.00 0.00 O+0 HETATM 18 C UNK 0 2.191 -0.542 -3.139 0.00 0.00 C+0 HETATM 19 C UNK 0 2.563 -1.878 -3.772 0.00 0.00 C+0 HETATM 20 N UNK 0 2.051 -0.611 -1.716 0.00 0.00 N+0 HETATM 21 C UNK 0 3.109 -0.655 -0.763 0.00 0.00 C+0 HETATM 22 O UNK 0 2.938 -1.537 0.155 0.00 0.00 O+0 HETATM 23 C UNK 0 4.297 0.222 -0.808 0.00 0.00 C+0 HETATM 24 C UNK 0 5.587 -0.574 -0.771 0.00 0.00 C+0 HETATM 25 C UNK 0 6.749 0.368 -0.854 0.00 0.00 C+0 HETATM 26 C UNK 0 6.756 1.185 -2.116 0.00 0.00 C+0 HETATM 27 C UNK 0 8.059 -0.426 -0.810 0.00 0.00 C+0 HETATM 28 N UNK 0 4.305 1.312 0.131 0.00 0.00 N+0 HETATM 29 C UNK 0 3.636 1.594 1.300 0.00 0.00 C+0 HETATM 30 O UNK 0 2.826 2.618 1.241 0.00 0.00 O+0 HETATM 31 C UNK 0 3.625 0.990 2.638 0.00 0.00 C+0 HETATM 32 C UNK 0 4.649 -0.097 2.881 0.00 0.00 C+0 HETATM 33 C UNK 0 6.060 0.428 2.718 0.00 0.00 C+0 HETATM 34 C UNK 0 4.531 -0.585 4.331 0.00 0.00 C+0 HETATM 35 N UNK 0 2.334 0.687 3.200 0.00 0.00 N+0 HETATM 36 C UNK 0 1.272 -0.035 2.668 0.00 0.00 C+0 HETATM 37 O UNK 0 0.967 -1.137 3.271 0.00 0.00 O+0 HETATM 38 C UNK 0 0.435 0.294 1.489 0.00 0.00 C+0 HETATM 39 N UNK 0 -0.540 1.340 1.740 0.00 0.00 N+0 HETATM 40 C UNK 0 -1.852 1.409 1.319 0.00 0.00 C+0 HETATM 41 O UNK 0 -2.215 2.484 0.711 0.00 0.00 O+0 HETATM 42 C UNK 0 -2.932 0.362 1.485 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.657 -0.390 2.782 0.00 0.00 C+0 HETATM 44 H UNK 0 -9.044 1.702 -2.169 0.00 0.00 H+0 HETATM 45 H UNK 0 -10.080 0.919 -0.861 0.00 0.00 H+0 HETATM 46 H UNK 0 -10.080 2.728 -1.131 0.00 0.00 H+0 HETATM 47 H UNK 0 -7.520 2.524 -0.593 0.00 0.00 H+0 HETATM 48 H UNK 0 -8.687 2.513 0.742 0.00 0.00 H+0 HETATM 49 H UNK 0 -8.643 0.015 0.696 0.00 0.00 H+0 HETATM 50 H UNK 0 -7.400 0.138 -0.663 0.00 0.00 H+0 HETATM 51 H UNK 0 -7.146 1.303 2.123 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.966 1.504 0.804 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.466 -0.334 2.567 0.00 0.00 H+0 HETATM 54 H UNK 0 -7.048 -1.069 2.077 0.00 0.00 H+0 HETATM 55 H UNK 0 -5.353 -2.367 1.026 0.00 0.00 H+0 HETATM 56 H UNK 0 -6.374 -1.529 -0.113 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.734 -0.023 -0.860 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.034 -1.584 -2.256 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.259 -2.542 -0.965 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.064 -2.684 -1.287 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.652 -1.560 0.700 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.138 -0.403 -3.752 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.941 -2.473 -2.995 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.245 -2.196 -3.360 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.814 -2.148 -1.656 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.478 1.403 -3.489 0.00 0.00 H+0 HETATM 67 H UNK 0 3.114 0.097 -3.332 0.00 0.00 H+0 HETATM 68 H UNK 0 2.219 -1.903 -4.835 0.00 0.00 H+0 HETATM 69 H UNK 0 2.117 -2.689 -3.161 0.00 0.00 H+0 HETATM 70 H UNK 0 3.657 -2.052 -3.789 0.00 0.00 H+0 HETATM 71 H UNK 0 1.073 -0.638 -1.285 0.00 0.00 H+0 HETATM 72 H UNK 0 4.298 0.653 -1.859 0.00 0.00 H+0 HETATM 73 H UNK 0 5.697 -1.146 0.178 0.00 0.00 H+0 HETATM 74 H UNK 0 5.596 -1.336 -1.574 0.00 0.00 H+0 HETATM 75 H UNK 0 6.724 1.074 -0.006 0.00 0.00 H+0 HETATM 76 H UNK 0 7.755 1.098 -2.587 0.00 0.00 H+0 HETATM 77 H UNK 0 6.619 2.274 -1.935 0.00 0.00 H+0 HETATM 78 H UNK 0 6.046 0.800 -2.881 0.00 0.00 H+0 HETATM 79 H UNK 0 8.876 0.191 -1.208 0.00 0.00 H+0 HETATM 80 H UNK 0 8.196 -0.685 0.258 0.00 0.00 H+0 HETATM 81 H UNK 0 7.900 -1.337 -1.418 0.00 0.00 H+0 HETATM 82 H UNK 0 5.004 2.084 -0.189 0.00 0.00 H+0 HETATM 83 H UNK 0 4.056 1.824 3.341 0.00 0.00 H+0 HETATM 84 H UNK 0 4.537 -0.985 2.270 0.00 0.00 H+0 HETATM 85 H UNK 0 5.964 1.426 2.195 0.00 0.00 H+0 HETATM 86 H UNK 0 6.447 0.729 3.738 0.00 0.00 H+0 HETATM 87 H UNK 0 6.742 -0.268 2.221 0.00 0.00 H+0 HETATM 88 H UNK 0 3.793 -1.404 4.358 0.00 0.00 H+0 HETATM 89 H UNK 0 5.510 -0.971 4.690 0.00 0.00 H+0 HETATM 90 H UNK 0 4.292 0.275 4.976 0.00 0.00 H+0 HETATM 91 H UNK 0 2.135 1.062 4.204 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.092 -0.583 1.126 0.00 0.00 H+0 HETATM 93 H UNK 0 1.097 0.639 0.686 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.153 2.152 2.324 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.875 0.913 1.623 0.00 0.00 H+0 HETATM 96 H UNK 0 -2.765 -1.495 2.629 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.308 -0.020 3.606 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.610 -0.245 3.134 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 47 48 CONECT 3 2 4 49 50 CONECT 4 3 5 51 52 CONECT 5 4 6 53 54 CONECT 6 5 7 55 56 CONECT 7 6 8 9 57 CONECT 8 7 58 59 60 CONECT 9 7 10 42 61 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 15 62 CONECT 14 13 63 64 65 CONECT 15 13 16 66 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 20 67 CONECT 19 18 68 69 70 CONECT 20 18 21 71 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 28 72 CONECT 24 23 25 73 74 CONECT 25 24 26 27 75 CONECT 26 25 76 77 78 CONECT 27 25 79 80 81 CONECT 28 23 29 82 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 35 83 CONECT 32 31 33 34 84 CONECT 33 32 85 86 87 CONECT 34 32 88 89 90 CONECT 35 31 36 91 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 92 93 CONECT 39 38 40 94 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 9 95 CONECT 43 42 96 97 98 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 2 CONECT 49 3 CONECT 50 3 CONECT 51 4 CONECT 52 4 CONECT 53 5 CONECT 54 5 CONECT 55 6 CONECT 56 6 CONECT 57 7 CONECT 58 8 CONECT 59 8 CONECT 60 8 CONECT 61 9 CONECT 62 13 CONECT 63 14 CONECT 64 14 CONECT 65 14 CONECT 66 15 CONECT 67 18 CONECT 68 19 CONECT 69 19 CONECT 70 19 CONECT 71 20 CONECT 72 23 CONECT 73 24 CONECT 74 24 CONECT 75 25 CONECT 76 26 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 27 CONECT 81 27 CONECT 82 28 CONECT 83 31 CONECT 84 32 CONECT 85 33 CONECT 86 33 CONECT 87 33 CONECT 88 34 CONECT 89 34 CONECT 90 34 CONECT 91 35 CONECT 92 38 CONECT 93 38 CONECT 94 39 CONECT 95 42 CONECT 96 43 CONECT 97 43 CONECT 98 43 MASTER 0 0 0 0 0 0 0 0 98 0 196 0 END