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 0.117 2.034 -0.451 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.199 1.432 -0.703 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.306 2.242 -0.655 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.677 1.754 -0.892 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.933 2.002 -2.396 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.909 0.324 -0.581 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.162 -0.021 0.136 0.00 0.00 C+0 HETATM 8 C UNK 0 -5.131 0.055 1.620 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.306 0.871 -0.345 0.00 0.00 C+0 HETATM 10 O UNK 0 -6.700 0.553 -1.635 0.00 0.00 O+0 HETATM 11 C UNK 0 -6.024 2.313 -0.123 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.598 2.718 -0.178 0.00 0.00 C+0 HETATM 13 O UNK 0 -4.069 3.139 1.051 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.644 -0.259 0.041 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.791 -1.651 0.399 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.534 -2.120 1.618 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.072 -1.260 2.722 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.723 -3.538 1.846 0.00 0.00 C+0 HETATM 19 O UNK 0 -2.490 -4.013 2.983 0.00 0.00 O+0 HETATM 20 O UNK 0 -3.154 -4.410 0.858 0.00 0.00 O+0 HETATM 21 C UNK 0 -1.550 0.044 -1.020 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.557 -0.995 -1.070 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.008 -2.306 -1.730 0.00 0.00 C+0 HETATM 24 C UNK 0 0.711 -1.017 -0.741 0.00 0.00 C+0 HETATM 25 C UNK 0 1.574 -2.232 -0.877 0.00 0.00 C+0 HETATM 26 C UNK 0 2.183 -2.638 0.422 0.00 0.00 C+0 HETATM 27 O UNK 0 1.126 -2.936 1.328 0.00 0.00 O+0 HETATM 28 C UNK 0 2.998 -1.558 1.046 0.00 0.00 C+0 HETATM 29 C UNK 0 4.152 -1.064 0.263 0.00 0.00 C+0 HETATM 30 O UNK 0 3.890 -0.508 -0.957 0.00 0.00 O+0 HETATM 31 C UNK 0 4.926 -0.038 1.071 0.00 0.00 C+0 HETATM 32 C UNK 0 4.054 1.132 1.424 0.00 0.00 C+0 HETATM 33 C UNK 0 6.117 0.375 0.247 0.00 0.00 C+0 HETATM 34 O UNK 0 5.739 0.936 -0.969 0.00 0.00 O+0 HETATM 35 C UNK 0 7.045 1.319 0.962 0.00 0.00 C+0 HETATM 36 C UNK 0 8.184 1.638 0.006 0.00 0.00 C+0 HETATM 37 C UNK 0 7.651 0.676 2.193 0.00 0.00 C+0 HETATM 38 H UNK 0 0.026 3.175 -0.449 0.00 0.00 H+0 HETATM 39 H UNK 0 0.820 1.855 -1.276 0.00 0.00 H+0 HETATM 40 H UNK 0 0.573 1.826 0.517 0.00 0.00 H+0 HETATM 41 H UNK 0 -2.125 3.272 -0.433 0.00 0.00 H+0 HETATM 42 H UNK 0 -4.661 2.816 -2.559 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.023 2.269 -2.937 0.00 0.00 H+0 HETATM 44 H UNK 0 -4.285 1.039 -2.852 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.968 -0.225 -1.577 0.00 0.00 H+0 HETATM 46 H UNK 0 -5.484 -1.068 -0.137 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.306 0.619 2.042 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.144 -0.971 2.094 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.080 0.519 2.026 0.00 0.00 H+0 HETATM 50 H UNK 0 -7.179 0.586 0.315 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.383 -0.317 -1.941 0.00 0.00 H+0 HETATM 52 H UNK 0 -6.413 2.621 0.893 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.686 2.889 -0.833 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.574 3.667 -0.801 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.811 3.282 1.697 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.424 0.350 0.929 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.169 -2.380 -0.339 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.934 -0.842 3.294 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.380 -0.454 2.433 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.502 -1.876 3.463 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.100 -4.489 0.566 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.081 0.065 -2.006 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.305 -2.519 -2.582 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.053 -3.094 -0.985 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.982 -2.186 -2.226 0.00 0.00 H+0 HETATM 66 H UNK 0 1.177 -0.157 -0.343 0.00 0.00 H+0 HETATM 67 H UNK 0 1.012 -3.113 -1.266 0.00 0.00 H+0 HETATM 68 H UNK 0 2.352 -2.008 -1.613 0.00 0.00 H+0 HETATM 69 H UNK 0 2.762 -3.582 0.347 0.00 0.00 H+0 HETATM 70 H UNK 0 0.985 -2.168 1.934 0.00 0.00 H+0 HETATM 71 H UNK 0 2.283 -0.735 1.321 0.00 0.00 H+0 HETATM 72 H UNK 0 3.402 -1.901 2.045 0.00 0.00 H+0 HETATM 73 H UNK 0 4.854 -1.925 0.121 0.00 0.00 H+0 HETATM 74 H UNK 0 4.467 -0.883 -1.694 0.00 0.00 H+0 HETATM 75 H UNK 0 5.298 -0.483 2.015 0.00 0.00 H+0 HETATM 76 H UNK 0 3.399 1.446 0.581 0.00 0.00 H+0 HETATM 77 H UNK 0 3.379 0.818 2.267 0.00 0.00 H+0 HETATM 78 H UNK 0 4.654 1.962 1.799 0.00 0.00 H+0 HETATM 79 H UNK 0 6.722 -0.534 0.000 0.00 0.00 H+0 HETATM 80 H UNK 0 6.369 0.788 -1.695 0.00 0.00 H+0 HETATM 81 H UNK 0 6.593 2.270 1.249 0.00 0.00 H+0 HETATM 82 H UNK 0 9.123 1.714 0.581 0.00 0.00 H+0 HETATM 83 H UNK 0 8.042 2.653 -0.464 0.00 0.00 H+0 HETATM 84 H UNK 0 8.267 0.864 -0.784 0.00 0.00 H+0 HETATM 85 H UNK 0 7.476 1.301 3.102 0.00 0.00 H+0 HETATM 86 H UNK 0 8.776 0.611 2.115 0.00 0.00 H+0 HETATM 87 H UNK 0 7.307 -0.356 2.339 0.00 0.00 H+0 CONECT 1 2 38 39 40 CONECT 2 1 3 21 CONECT 3 2 4 41 CONECT 4 3 5 6 12 CONECT 5 4 42 43 44 CONECT 6 4 7 14 45 CONECT 7 6 8 9 46 CONECT 8 7 47 48 49 CONECT 9 7 10 11 50 CONECT 10 9 51 CONECT 11 9 12 52 53 CONECT 12 11 13 4 54 CONECT 13 12 55 CONECT 14 6 15 21 56 CONECT 15 14 16 57 CONECT 16 15 17 18 CONECT 17 16 58 59 60 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 61 CONECT 21 14 22 2 62 CONECT 22 21 23 24 CONECT 23 22 63 64 65 CONECT 24 22 25 66 CONECT 25 24 26 67 68 CONECT 26 25 27 28 69 CONECT 27 26 70 CONECT 28 26 29 71 72 CONECT 29 28 30 31 73 CONECT 30 29 74 CONECT 31 29 32 33 75 CONECT 32 31 76 77 78 CONECT 33 31 34 35 79 CONECT 34 33 80 CONECT 35 33 36 37 81 CONECT 36 35 82 83 84 CONECT 37 35 85 86 87 CONECT 38 1 CONECT 39 1 CONECT 40 1 CONECT 41 3 CONECT 42 5 CONECT 43 5 CONECT 44 5 CONECT 45 6 CONECT 46 7 CONECT 47 8 CONECT 48 8 CONECT 49 8 CONECT 50 9 CONECT 51 10 CONECT 52 11 CONECT 53 11 CONECT 54 12 CONECT 55 13 CONECT 56 14 CONECT 57 15 CONECT 58 17 CONECT 59 17 CONECT 60 17 CONECT 61 20 CONECT 62 21 CONECT 63 23 CONECT 64 23 CONECT 65 23 CONECT 66 24 CONECT 67 25 CONECT 68 25 CONECT 69 26 CONECT 70 27 CONECT 71 28 CONECT 72 28 CONECT 73 29 CONECT 74 30 CONECT 75 31 CONECT 76 32 CONECT 77 32 CONECT 78 32 CONECT 79 33 CONECT 80 34 CONECT 81 35 CONECT 82 36 CONECT 83 36 CONECT 84 36 CONECT 85 37 CONECT 86 37 CONECT 87 37 MASTER 0 0 0 0 0 0 0 0 87 0 176 0 END