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 1.606 2.607 7.660 0.00 0.00 C+0 HETATM 2 O UNK 0 0.744 3.349 6.797 0.00 0.00 O+0 HETATM 3 C UNK 0 1.060 4.661 6.704 0.00 0.00 C+0 HETATM 4 O UNK 0 1.889 5.274 7.361 0.00 0.00 O+0 HETATM 5 C UNK 0 0.093 5.344 5.832 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.556 6.473 6.353 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.236 7.032 7.562 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.584 7.090 5.645 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.963 6.590 4.401 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.288 5.496 3.850 0.00 0.00 C+0 HETATM 11 O UNK 0 -1.728 5.091 2.613 0.00 0.00 O+0 HETATM 12 C UNK 0 -1.148 3.985 2.047 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.706 3.537 0.848 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.179 2.422 0.168 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.064 1.747 0.725 0.00 0.00 C+0 HETATM 16 C UNK 0 0.501 2.222 1.921 0.00 0.00 C+0 HETATM 17 O UNK 0 1.603 1.570 2.411 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.049 3.329 2.581 0.00 0.00 C+0 HETATM 19 C UNK 0 0.513 3.841 3.838 0.00 0.00 C+0 HETATM 20 O UNK 0 1.597 3.421 4.226 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.240 4.890 4.548 0.00 0.00 C+0 HETATM 22 C UNK 0 0.497 0.507 0.051 0.00 0.00 C+0 HETATM 23 C UNK 0 1.029 0.867 -1.319 0.00 0.00 C+0 HETATM 24 C UNK 0 0.169 1.093 -2.324 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.319 0.869 -2.046 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.854 2.048 -1.153 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.178 0.820 -3.356 0.00 0.00 C+0 HETATM 28 O UNK 0 -1.902 1.995 -4.158 0.00 0.00 O+0 HETATM 29 C UNK 0 -2.862 2.956 -4.206 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.433 4.063 -5.120 0.00 0.00 C+0 HETATM 31 O UNK 0 -3.914 2.939 -3.587 0.00 0.00 O+0 HETATM 32 C UNK 0 -1.909 -0.403 -4.218 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.279 -0.399 -5.579 0.00 0.00 C+0 HETATM 34 C UNK 0 -2.050 -1.507 -6.406 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.474 -1.485 -7.845 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.476 -2.654 -5.858 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.129 -2.687 -4.510 0.00 0.00 C+0 HETATM 38 O UNK 0 -0.576 -3.859 -4.066 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.354 -1.575 -3.683 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.011 -1.645 -2.241 0.00 0.00 C+0 HETATM 41 O UNK 0 -0.408 -2.635 -1.827 0.00 0.00 O+0 HETATM 42 C UNK 0 -1.468 -0.500 -1.332 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.838 -0.750 -0.993 0.00 0.00 O+0 HETATM 44 C UNK 0 -0.646 -0.509 -0.040 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.976 -1.228 0.910 0.00 0.00 O+0 HETATM 46 H UNK 0 1.488 2.942 8.694 0.00 0.00 H+0 HETATM 47 H UNK 0 2.648 2.701 7.338 0.00 0.00 H+0 HETATM 48 H UNK 0 1.320 1.553 7.601 0.00 0.00 H+0 HETATM 49 H UNK 0 0.635 6.688 7.857 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.092 7.954 6.066 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.775 7.064 3.854 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.563 4.069 0.435 0.00 0.00 H+0 HETATM 53 H UNK 0 1.914 2.046 3.215 0.00 0.00 H+0 HETATM 54 H UNK 0 1.300 0.024 0.617 0.00 0.00 H+0 HETATM 55 H UNK 0 2.099 1.012 -1.440 0.00 0.00 H+0 HETATM 56 H UNK 0 0.517 1.421 -3.300 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.914 1.866 -0.931 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.810 2.967 -1.752 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.243 0.769 -3.093 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.246 3.666 -6.121 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.231 4.808 -5.186 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.536 4.544 -4.722 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.755 0.482 -6.008 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.510 -1.826 -7.935 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.834 -2.133 -8.452 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.396 -0.474 -8.259 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.301 -3.535 -6.472 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.352 -3.754 -3.114 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.816 -1.457 -0.310 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 3 1 CONECT 3 5 2 4 CONECT 4 3 CONECT 5 6 21 3 CONECT 6 8 5 7 CONECT 7 6 49 CONECT 8 9 6 50 CONECT 9 10 8 51 CONECT 10 11 21 9 CONECT 11 12 10 CONECT 12 13 18 11 CONECT 13 12 14 52 CONECT 14 15 13 26 CONECT 15 16 14 22 CONECT 16 18 15 17 CONECT 17 16 53 CONECT 18 16 12 19 CONECT 19 21 18 20 CONECT 20 19 CONECT 21 19 10 5 CONECT 22 23 44 15 54 CONECT 23 24 22 55 CONECT 24 25 23 56 CONECT 25 42 26 24 27 CONECT 26 25 14 57 58 CONECT 27 32 25 28 59 CONECT 28 27 29 CONECT 29 31 28 30 CONECT 30 29 60 61 62 CONECT 31 29 CONECT 32 39 33 27 CONECT 33 34 32 63 CONECT 34 33 36 35 CONECT 35 34 64 65 66 CONECT 36 34 37 67 CONECT 37 38 39 36 CONECT 38 37 68 CONECT 39 32 40 37 CONECT 40 41 42 39 CONECT 41 40 CONECT 42 25 44 40 43 CONECT 43 42 69 CONECT 44 22 42 45 CONECT 45 44 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 7 CONECT 50 8 CONECT 51 9 CONECT 52 13 CONECT 53 17 CONECT 54 22 CONECT 55 23 CONECT 56 24 CONECT 57 26 CONECT 58 26 CONECT 59 27 CONECT 60 30 CONECT 61 30 CONECT 62 30 CONECT 63 33 CONECT 64 35 CONECT 65 35 CONECT 66 35 CONECT 67 36 CONECT 68 38 CONECT 69 43 MASTER 0 0 0 0 0 0 0 0 69 0 150 0 END