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 10.234 0.790 0.042 0.00 0.00 C+0 HETATM 2 C UNK 0 8.889 1.210 -0.385 0.00 0.00 C+0 HETATM 3 C UNK 0 7.859 0.357 -0.277 0.00 0.00 C+0 HETATM 4 C UNK 0 8.143 -0.987 0.276 0.00 0.00 C+0 HETATM 5 C UNK 0 6.556 0.785 -0.701 0.00 0.00 C+0 HETATM 6 C UNK 0 5.405 0.180 -0.693 0.00 0.00 C+0 HETATM 7 C UNK 0 5.308 -1.192 -0.172 0.00 0.00 C+0 HETATM 8 C UNK 0 4.158 0.892 -1.220 0.00 0.00 C+0 HETATM 9 O UNK 0 3.715 0.083 -2.240 0.00 0.00 O+0 HETATM 10 C UNK 0 3.145 1.057 -0.158 0.00 0.00 C+0 HETATM 11 C UNK 0 3.864 1.900 0.938 0.00 0.00 C+0 HETATM 12 C UNK 0 1.903 1.779 -0.432 0.00 0.00 C+0 HETATM 13 O UNK 0 1.157 1.818 0.760 0.00 0.00 O+0 HETATM 14 C UNK 0 0.986 1.460 -1.513 0.00 0.00 C+0 HETATM 15 O UNK 0 1.554 1.361 -2.798 0.00 0.00 O+0 HETATM 16 C UNK 0 0.033 0.291 -1.373 0.00 0.00 C+0 HETATM 17 C UNK 0 0.630 -0.932 -2.016 0.00 0.00 C+0 HETATM 18 C UNK 0 1.367 -1.879 -1.166 0.00 0.00 C+0 HETATM 19 C UNK 0 0.775 -2.470 -0.129 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.637 -2.581 0.022 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.363 -3.107 -0.932 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.244 -4.519 -1.238 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.240 -4.670 -2.644 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.628 -5.053 -0.782 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.893 -4.903 0.655 0.00 0.00 C+0 HETATM 26 O UNK 0 -1.648 -4.857 1.331 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.807 -3.881 1.176 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.154 -4.498 1.577 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.128 -2.719 0.314 0.00 0.00 C+0 HETATM 30 N UNK 0 -3.765 -1.488 0.451 0.00 0.00 N+0 HETATM 31 C UNK 0 -4.096 -0.569 -0.418 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.859 -1.018 -1.482 0.00 0.00 C+0 HETATM 33 S UNK 0 -5.031 -2.698 -1.145 0.00 0.00 S+0 HETATM 34 C UNK 0 -3.686 0.859 -0.292 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.806 1.309 0.591 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.099 2.429 1.517 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.374 3.147 1.456 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.667 3.999 0.273 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.998 4.645 0.211 0.00 0.00 C+0 HETATM 40 C UNK 0 -6.421 5.625 1.223 0.00 0.00 C+0 HETATM 41 C UNK 0 -6.547 5.110 2.614 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.528 0.605 0.636 0.00 0.00 C+0 HETATM 43 O UNK 0 -1.169 0.353 1.887 0.00 0.00 O+0 HETATM 44 O UNK 0 -0.645 0.160 -0.236 0.00 0.00 O+0 HETATM 45 H UNK 0 10.899 1.682 0.084 0.00 0.00 H+0 HETATM 46 H UNK 0 10.704 0.041 -0.612 0.00 0.00 H+0 HETATM 47 H UNK 0 10.263 0.373 1.087 0.00 0.00 H+0 HETATM 48 H UNK 0 8.671 2.183 -0.790 0.00 0.00 H+0 HETATM 49 H UNK 0 7.727 -1.768 -0.377 0.00 0.00 H+0 HETATM 50 H UNK 0 9.283 -1.108 0.264 0.00 0.00 H+0 HETATM 51 H UNK 0 7.916 -1.082 1.352 0.00 0.00 H+0 HETATM 52 H UNK 0 6.514 1.831 -1.118 0.00 0.00 H+0 HETATM 53 H UNK 0 5.590 -1.892 -0.983 0.00 0.00 H+0 HETATM 54 H UNK 0 5.796 -1.407 0.768 0.00 0.00 H+0 HETATM 55 H UNK 0 4.191 -1.406 0.050 0.00 0.00 H+0 HETATM 56 H UNK 0 4.457 1.852 -1.682 0.00 0.00 H+0 HETATM 57 H UNK 0 4.323 -0.655 -2.477 0.00 0.00 H+0 HETATM 58 H UNK 0 2.944 0.102 0.415 0.00 0.00 H+0 HETATM 59 H UNK 0 3.241 1.905 1.852 0.00 0.00 H+0 HETATM 60 H UNK 0 4.815 1.395 1.190 0.00 0.00 H+0 HETATM 61 H UNK 0 4.048 2.913 0.587 0.00 0.00 H+0 HETATM 62 H UNK 0 2.200 2.871 -0.566 0.00 0.00 H+0 HETATM 63 H UNK 0 1.389 2.566 1.337 0.00 0.00 H+0 HETATM 64 H UNK 0 0.343 2.414 -1.634 0.00 0.00 H+0 HETATM 65 H UNK 0 0.844 1.528 -3.451 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.775 0.574 -2.156 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.171 -1.559 -2.521 0.00 0.00 H+0 HETATM 68 H UNK 0 1.234 -0.609 -2.876 0.00 0.00 H+0 HETATM 69 H UNK 0 2.401 -2.122 -1.363 0.00 0.00 H+0 HETATM 70 H UNK 0 1.440 -2.849 0.636 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.161 -2.216 0.966 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.083 -2.510 -1.494 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.418 -5.083 -0.860 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.312 -4.487 -2.993 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.593 -6.126 -1.124 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.344 -4.566 -1.475 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.297 -5.916 0.994 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.156 -5.712 1.170 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.405 -3.468 2.150 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.981 -5.341 2.276 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.789 -3.702 2.008 0.00 0.00 H+0 HETATM 82 H UNK 0 -5.619 -4.872 0.637 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.288 -0.507 -2.359 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.129 1.595 -0.953 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.897 2.180 2.578 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.294 3.216 1.299 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.255 2.453 1.679 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.382 3.851 2.345 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.949 4.924 0.438 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.317 3.660 -0.704 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.787 3.841 0.100 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.055 5.172 -0.800 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.746 6.537 1.243 0.00 0.00 H+0 HETATM 94 H UNK 0 -7.435 6.083 0.959 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.667 4.030 2.635 0.00 0.00 H+0 HETATM 96 H UNK 0 -5.693 5.469 3.220 0.00 0.00 H+0 HETATM 97 H UNK 0 -7.484 5.539 3.112 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 1 3 48 CONECT 3 2 4 5 CONECT 4 3 49 50 51 CONECT 5 3 6 52 CONECT 6 5 7 8 CONECT 7 6 53 54 55 CONECT 8 6 9 10 56 CONECT 9 8 57 CONECT 10 8 11 12 58 CONECT 11 10 59 60 61 CONECT 12 10 13 14 62 CONECT 13 12 63 CONECT 14 12 15 16 64 CONECT 15 14 65 CONECT 16 14 17 44 66 CONECT 17 16 18 67 68 CONECT 18 17 19 69 CONECT 19 18 20 70 CONECT 20 19 21 71 CONECT 21 20 22 72 CONECT 22 21 23 24 73 CONECT 23 22 74 CONECT 24 22 25 75 76 CONECT 25 24 26 27 77 CONECT 26 25 78 CONECT 27 25 28 29 79 CONECT 28 27 80 81 82 CONECT 29 27 30 33 CONECT 30 29 31 CONECT 31 30 32 34 CONECT 32 31 33 83 CONECT 33 32 29 CONECT 34 31 35 84 CONECT 35 34 36 42 CONECT 36 35 37 85 86 CONECT 37 36 38 87 88 CONECT 38 37 39 89 90 CONECT 39 38 40 91 92 CONECT 40 39 41 93 94 CONECT 41 40 95 96 97 CONECT 42 35 43 44 CONECT 43 42 CONECT 44 42 16 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 2 CONECT 49 4 CONECT 50 4 CONECT 51 4 CONECT 52 5 CONECT 53 7 CONECT 54 7 CONECT 55 7 CONECT 56 8 CONECT 57 9 CONECT 58 10 CONECT 59 11 CONECT 60 11 CONECT 61 11 CONECT 62 12 CONECT 63 13 CONECT 64 14 CONECT 65 15 CONECT 66 16 CONECT 67 17 CONECT 68 17 CONECT 69 18 CONECT 70 19 CONECT 71 20 CONECT 72 21 CONECT 73 22 CONECT 74 23 CONECT 75 24 CONECT 76 24 CONECT 77 25 CONECT 78 26 CONECT 79 27 CONECT 80 28 CONECT 81 28 CONECT 82 28 CONECT 83 32 CONECT 84 34 CONECT 85 36 CONECT 86 36 CONECT 87 37 CONECT 88 37 CONECT 89 38 CONECT 90 38 CONECT 91 39 CONECT 92 39 CONECT 93 40 CONECT 94 40 CONECT 95 41 CONECT 96 41 CONECT 97 41 MASTER 0 0 0 0 0 0 0 0 97 0 196 0 END