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 -12.915 -0.806 0.427 0.00 0.00 C+0 HETATM 2 O UNK 0 -12.171 -1.646 1.296 0.00 0.00 O+0 HETATM 3 C UNK 0 -10.960 -1.005 1.470 0.00 0.00 C+0 HETATM 4 C UNK 0 -9.818 -1.885 1.029 0.00 0.00 C+0 HETATM 5 C UNK 0 -8.525 -1.187 1.250 0.00 0.00 C+0 HETATM 6 O UNK 0 -8.160 -0.281 0.266 0.00 0.00 O+0 HETATM 7 C UNK 0 -6.924 -0.622 -0.353 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.134 -0.988 -1.780 0.00 0.00 C+0 HETATM 9 C UNK 0 -7.370 -0.021 -2.637 0.00 0.00 C+0 HETATM 10 C UNK 0 -7.588 -0.325 -4.067 0.00 0.00 C+0 HETATM 11 C UNK 0 -7.402 1.355 -2.140 0.00 0.00 C+0 HETATM 12 O UNK 0 -8.685 1.630 -1.641 0.00 0.00 O+0 HETATM 13 C UNK 0 -6.355 1.674 -1.088 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.957 2.742 -0.350 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.118 2.281 -1.670 0.00 0.00 C+0 HETATM 16 O UNK 0 -5.380 3.320 -2.571 0.00 0.00 O+0 HETATM 17 C UNK 0 -4.929 3.172 -3.888 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.146 4.193 -4.940 0.00 0.00 C+0 HETATM 19 O UNK 0 -4.296 2.118 -4.237 0.00 0.00 O+0 HETATM 20 C UNK 0 -4.313 2.744 -0.440 0.00 0.00 C+0 HETATM 21 O UNK 0 -5.088 3.414 0.460 0.00 0.00 O+0 HETATM 22 C UNK 0 -3.799 1.416 0.090 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.623 0.365 0.091 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.064 -0.921 0.493 0.00 0.00 C+0 HETATM 25 O UNK 0 -4.702 -2.000 0.533 0.00 0.00 O+0 HETATM 26 C UNK 0 -2.659 -1.056 0.897 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.148 -2.276 1.306 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.836 -2.353 1.710 0.00 0.00 C+0 HETATM 29 C UNK 0 0.006 -1.274 1.731 0.00 0.00 C+0 HETATM 30 C UNK 0 1.334 -1.406 2.286 0.00 0.00 C+0 HETATM 31 C UNK 0 2.004 -2.728 2.252 0.00 0.00 C+0 HETATM 32 C UNK 0 3.495 -2.397 2.376 0.00 0.00 C+0 HETATM 33 O UNK 0 4.066 -1.770 1.341 0.00 0.00 O+0 HETATM 34 C UNK 0 5.170 -2.314 0.708 0.00 0.00 C+0 HETATM 35 C UNK 0 5.207 -1.851 -0.683 0.00 0.00 C+0 HETATM 36 C UNK 0 6.487 -1.437 -1.302 0.00 0.00 C+0 HETATM 37 C UNK 0 6.181 -0.402 -2.389 0.00 0.00 C+0 HETATM 38 O UNK 0 7.115 -2.513 -1.971 0.00 0.00 O+0 HETATM 39 C UNK 0 7.525 -0.899 -0.346 0.00 0.00 C+0 HETATM 40 O UNK 0 8.753 -0.851 -0.903 0.00 0.00 O+0 HETATM 41 C UNK 0 9.450 0.356 -0.803 0.00 0.00 C+0 HETATM 42 C UNK 0 10.655 0.261 0.101 0.00 0.00 C+0 HETATM 43 C UNK 0 11.555 1.441 -0.279 0.00 0.00 C+0 HETATM 44 C UNK 0 12.056 1.119 -1.674 0.00 0.00 C+0 HETATM 45 O UNK 0 12.878 2.131 -2.199 0.00 0.00 O+0 HETATM 46 C UNK 0 14.217 1.883 -2.456 0.00 0.00 C+0 HETATM 47 N UNK 0 15.091 2.867 -2.983 0.00 0.00 N+0 HETATM 48 O UNK 0 14.636 0.737 -2.203 0.00 0.00 O+0 HETATM 49 C UNK 0 10.911 0.745 -2.588 0.00 0.00 C+0 HETATM 50 C UNK 0 11.060 -0.671 -3.100 0.00 0.00 C+0 HETATM 51 O UNK 0 9.674 0.949 -2.016 0.00 0.00 O+0 HETATM 52 C UNK 0 7.460 -1.910 0.827 0.00 0.00 C+0 HETATM 53 C UNK 0 8.582 -1.734 1.792 0.00 0.00 C+0 HETATM 54 O UNK 0 6.239 -1.613 1.420 0.00 0.00 O+0 HETATM 55 C UNK 0 3.586 -1.494 3.635 0.00 0.00 C+0 HETATM 56 O UNK 0 2.926 -2.027 4.707 0.00 0.00 O+0 HETATM 57 C UNK 0 2.977 -0.154 3.274 0.00 0.00 C+0 HETATM 58 C UNK 0 3.956 0.932 3.004 0.00 0.00 C+0 HETATM 59 O UNK 0 2.159 -0.308 2.125 0.00 0.00 O+0 HETATM 60 C UNK 0 -0.514 -0.045 1.312 0.00 0.00 C+0 HETATM 61 O UNK 0 0.342 0.988 1.343 0.00 0.00 O+0 HETATM 62 C UNK 0 -1.846 0.055 0.897 0.00 0.00 C+0 HETATM 63 C UNK 0 -2.405 1.337 0.485 0.00 0.00 C+0 HETATM 64 O UNK 0 -1.693 2.364 0.469 0.00 0.00 O+0 HETATM 65 C UNK 0 -6.061 0.572 -0.151 0.00 0.00 C+0 HETATM 66 O UNK 0 -6.462 1.131 1.157 0.00 0.00 O+0 HETATM 67 O UNK 0 -8.319 -0.734 2.544 0.00 0.00 O+0 HETATM 68 C UNK 0 -9.361 0.039 2.972 0.00 0.00 C+0 HETATM 69 C UNK 0 -9.430 1.414 2.360 0.00 0.00 C+0 HETATM 70 C UNK 0 -10.712 -0.648 2.921 0.00 0.00 C+0 HETATM 71 O UNK 0 -11.685 0.240 3.385 0.00 0.00 O+0 HETATM 72 H UNK 0 -12.348 -0.726 -0.516 0.00 0.00 H+0 HETATM 73 H UNK 0 -13.928 -1.185 0.354 0.00 0.00 H+0 HETATM 74 H UNK 0 -12.895 0.221 0.896 0.00 0.00 H+0 HETATM 75 H UNK 0 -10.887 -0.062 0.894 0.00 0.00 H+0 HETATM 76 H UNK 0 -9.964 -2.226 -0.018 0.00 0.00 H+0 HETATM 77 H UNK 0 -9.883 -2.834 1.639 0.00 0.00 H+0 HETATM 78 H UNK 0 -7.720 -2.009 1.162 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.551 -1.501 0.145 0.00 0.00 H+0 HETATM 80 H UNK 0 -7.083 -2.025 -2.069 0.00 0.00 H+0 HETATM 81 H UNK 0 -7.330 0.501 -4.761 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.933 -1.183 -4.411 0.00 0.00 H+0 HETATM 83 H UNK 0 -8.661 -0.584 -4.235 0.00 0.00 H+0 HETATM 84 H UNK 0 -7.208 2.038 -2.995 0.00 0.00 H+0 HETATM 85 H UNK 0 -8.804 2.619 -1.665 0.00 0.00 H+0 HETATM 86 H UNK 0 -7.746 2.355 0.081 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.537 1.459 -2.131 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.519 4.014 -5.834 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.038 5.186 -4.507 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.201 4.061 -5.327 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.483 3.361 -0.834 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.808 4.367 0.507 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.813 -3.127 1.293 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.479 -3.344 2.028 0.00 0.00 H+0 HETATM 95 H UNK 0 1.092 -1.293 3.454 0.00 0.00 H+0 HETATM 96 H UNK 0 1.717 -3.345 3.129 0.00 0.00 H+0 HETATM 97 H UNK 0 1.771 -3.232 1.302 0.00 0.00 H+0 HETATM 98 H UNK 0 4.005 -3.321 2.628 0.00 0.00 H+0 HETATM 99 H UNK 0 5.421 -3.336 0.967 0.00 0.00 H+0 HETATM 100 H UNK 0 4.511 -0.967 -0.774 0.00 0.00 H+0 HETATM 101 H UNK 0 4.804 -2.694 -1.328 0.00 0.00 H+0 HETATM 102 H UNK 0 6.392 0.599 -1.913 0.00 0.00 H+0 HETATM 103 H UNK 0 5.091 -0.422 -2.557 0.00 0.00 H+0 HETATM 104 H UNK 0 6.770 -0.555 -3.305 0.00 0.00 H+0 HETATM 105 H UNK 0 7.815 -2.111 -2.564 0.00 0.00 H+0 HETATM 106 H UNK 0 7.151 0.065 0.061 0.00 0.00 H+0 HETATM 107 H UNK 0 8.727 1.035 -0.252 0.00 0.00 H+0 HETATM 108 H UNK 0 10.339 0.487 1.146 0.00 0.00 H+0 HETATM 109 H UNK 0 11.183 -0.712 0.032 0.00 0.00 H+0 HETATM 110 H UNK 0 10.929 2.335 -0.266 0.00 0.00 H+0 HETATM 111 H UNK 0 12.368 1.474 0.466 0.00 0.00 H+0 HETATM 112 H UNK 0 12.680 0.218 -1.546 0.00 0.00 H+0 HETATM 113 H UNK 0 14.720 3.546 -3.671 0.00 0.00 H+0 HETATM 114 H UNK 0 16.081 2.927 -2.700 0.00 0.00 H+0 HETATM 115 H UNK 0 10.979 1.425 -3.455 0.00 0.00 H+0 HETATM 116 H UNK 0 11.337 -0.754 -4.154 0.00 0.00 H+0 HETATM 117 H UNK 0 10.129 -1.259 -2.958 0.00 0.00 H+0 HETATM 118 H UNK 0 11.843 -1.249 -2.535 0.00 0.00 H+0 HETATM 119 H UNK 0 7.505 -2.910 0.383 0.00 0.00 H+0 HETATM 120 H UNK 0 8.631 -0.740 2.256 0.00 0.00 H+0 HETATM 121 H UNK 0 8.372 -2.436 2.646 0.00 0.00 H+0 HETATM 122 H UNK 0 9.528 -2.097 1.346 0.00 0.00 H+0 HETATM 123 H UNK 0 4.642 -1.349 3.874 0.00 0.00 H+0 HETATM 124 H UNK 0 3.566 -2.358 5.415 0.00 0.00 H+0 HETATM 125 H UNK 0 2.303 0.138 4.084 0.00 0.00 H+0 HETATM 126 H UNK 0 4.214 1.027 1.904 0.00 0.00 H+0 HETATM 127 H UNK 0 3.572 1.951 3.280 0.00 0.00 H+0 HETATM 128 H UNK 0 4.910 0.834 3.605 0.00 0.00 H+0 HETATM 129 H UNK 0 0.273 1.916 1.116 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.022 0.617 1.854 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.194 0.228 4.091 0.00 0.00 H+0 HETATM 132 H UNK 0 -8.540 2.034 2.660 0.00 0.00 H+0 HETATM 133 H UNK 0 -10.335 1.924 2.776 0.00 0.00 H+0 HETATM 134 H UNK 0 -9.512 1.318 1.277 0.00 0.00 H+0 HETATM 135 H UNK 0 -10.755 -1.563 3.520 0.00 0.00 H+0 HETATM 136 H UNK 0 -12.396 -0.207 3.893 0.00 0.00 H+0 CONECT 1 2 72 73 74 CONECT 2 1 3 CONECT 3 2 4 70 75 CONECT 4 3 5 76 77 CONECT 5 4 6 67 78 CONECT 6 5 7 CONECT 7 6 8 65 79 CONECT 8 7 9 80 CONECT 9 8 10 11 CONECT 10 9 81 82 83 CONECT 11 9 12 13 84 CONECT 12 11 85 CONECT 13 11 14 15 65 CONECT 14 13 86 CONECT 15 13 16 20 87 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 88 89 90 CONECT 19 17 CONECT 20 15 21 22 91 CONECT 21 20 92 CONECT 22 20 23 63 CONECT 23 22 24 65 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 62 CONECT 27 26 28 93 CONECT 28 27 29 94 CONECT 29 28 30 60 CONECT 30 29 31 59 95 CONECT 31 30 32 96 97 CONECT 32 31 33 55 98 CONECT 33 32 34 CONECT 34 33 35 54 99 CONECT 35 34 36 100 101 CONECT 36 35 37 38 39 CONECT 37 36 102 103 104 CONECT 38 36 105 CONECT 39 36 40 52 106 CONECT 40 39 41 CONECT 41 40 42 51 107 CONECT 42 41 43 108 109 CONECT 43 42 44 110 111 CONECT 44 43 45 49 112 CONECT 45 44 46 CONECT 46 45 47 48 CONECT 47 46 113 114 CONECT 48 46 CONECT 49 44 50 51 115 CONECT 50 49 116 117 118 CONECT 51 49 41 CONECT 52 39 53 54 119 CONECT 53 52 120 121 122 CONECT 54 52 34 CONECT 55 32 56 57 123 CONECT 56 55 124 CONECT 57 55 58 59 125 CONECT 58 57 126 127 128 CONECT 59 57 30 CONECT 60 29 61 62 CONECT 61 60 129 CONECT 62 60 63 26 CONECT 63 62 64 22 CONECT 64 63 CONECT 65 23 66 7 13 CONECT 66 65 130 CONECT 67 5 68 CONECT 68 67 69 70 131 CONECT 69 68 132 133 134 CONECT 70 68 71 3 135 CONECT 71 70 136 CONECT 72 1 CONECT 73 1 CONECT 74 1 CONECT 75 3 CONECT 76 4 CONECT 77 4 CONECT 78 5 CONECT 79 7 CONECT 80 8 CONECT 81 10 CONECT 82 10 CONECT 83 10 CONECT 84 11 CONECT 85 12 CONECT 86 14 CONECT 87 15 CONECT 88 18 CONECT 89 18 CONECT 90 18 CONECT 91 20 CONECT 92 21 CONECT 93 27 CONECT 94 28 CONECT 95 30 CONECT 96 31 CONECT 97 31 CONECT 98 32 CONECT 99 34 CONECT 100 35 CONECT 101 35 CONECT 102 37 CONECT 103 37 CONECT 104 37 CONECT 105 38 CONECT 106 39 CONECT 107 41 CONECT 108 42 CONECT 109 42 CONECT 110 43 CONECT 111 43 CONECT 112 44 CONECT 113 47 CONECT 114 47 CONECT 115 49 CONECT 116 50 CONECT 117 50 CONECT 118 50 CONECT 119 52 CONECT 120 53 CONECT 121 53 CONECT 122 53 CONECT 123 55 CONECT 124 56 CONECT 125 57 CONECT 126 58 CONECT 127 58 CONECT 128 58 CONECT 129 61 CONECT 130 66 CONECT 131 68 CONECT 132 69 CONECT 133 69 CONECT 134 69 CONECT 135 70 CONECT 136 71 MASTER 0 0 0 0 0 0 0 0 136 0 286 0 END