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 10.864 -0.168 1.457 0.00 0.00 C+0 HETATM 2 O UNK 0 10.964 1.115 0.871 0.00 0.00 O+0 HETATM 3 C UNK 0 9.845 1.695 0.304 0.00 0.00 C+0 HETATM 4 C UNK 0 8.626 1.053 0.297 0.00 0.00 C+0 HETATM 5 C UNK 0 7.536 1.662 -0.277 0.00 0.00 C+0 HETATM 6 C UNK 0 6.232 0.973 -0.291 0.00 0.00 C+0 HETATM 7 O UNK 0 6.278 -0.304 -0.206 0.00 0.00 O+0 HETATM 8 N UNK 0 5.066 1.734 -0.391 0.00 0.00 N+0 HETATM 9 C UNK 0 3.716 1.372 -0.423 0.00 0.00 C+0 HETATM 10 C UNK 0 3.179 0.128 -0.169 0.00 0.00 C+0 HETATM 11 O UNK 0 4.004 -0.885 0.185 0.00 0.00 O+0 HETATM 12 C UNK 0 1.799 -0.131 -0.263 0.00 0.00 C+0 HETATM 13 C UNK 0 1.267 -1.374 -0.009 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.110 -1.576 -0.115 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.959 -0.569 -0.468 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.318 -0.694 -0.591 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.078 -1.827 -0.361 0.00 0.00 C+0 HETATM 18 O UNK 0 -3.519 -2.276 -1.607 0.00 0.00 O+0 HETATM 19 C UNK 0 -4.201 -3.495 -1.478 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.407 -4.075 -2.858 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.467 -4.485 -0.649 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.551 -3.101 -0.882 0.00 0.00 C+0 HETATM 23 O UNK 0 -6.475 -4.083 -0.949 0.00 0.00 O+0 HETATM 24 C UNK 0 -7.561 -3.892 -1.754 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.372 -2.486 0.477 0.00 0.00 C+0 HETATM 26 O UNK 0 -5.392 -3.450 1.496 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.226 -1.557 0.591 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.603 -0.187 0.528 0.00 0.00 O+0 HETATM 29 C UNK 0 -4.416 0.723 1.553 0.00 0.00 C+0 HETATM 30 O UNK 0 -3.876 0.267 2.591 0.00 0.00 O+0 HETATM 31 C UNK 0 -4.826 2.126 1.429 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.422 2.667 0.311 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.684 4.012 0.507 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.215 4.262 1.804 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.317 5.623 2.398 0.00 0.00 C+0 HETATM 36 N UNK 0 -4.723 3.126 2.300 0.00 0.00 N+0 HETATM 37 C UNK 0 -0.384 0.696 -0.723 0.00 0.00 C+0 HETATM 38 Cl UNK 0 -1.454 2.016 -1.181 0.00 0.00 Cl+0 HETATM 39 C UNK 0 0.971 0.915 -0.623 0.00 0.00 C+0 HETATM 40 O UNK 0 1.496 2.097 -0.861 0.00 0.00 O+0 HETATM 41 C UNK 0 2.771 2.344 -0.777 0.00 0.00 C+0 HETATM 42 O UNK 0 3.168 3.501 -1.024 0.00 0.00 O+0 HETATM 43 C UNK 0 7.660 2.891 -0.837 0.00 0.00 C+0 HETATM 44 C UNK 0 8.885 3.539 -0.832 0.00 0.00 C+0 HETATM 45 C UNK 0 9.972 2.943 -0.264 0.00 0.00 C+0 HETATM 46 O UNK 0 11.208 3.616 -0.269 0.00 0.00 O+0 HETATM 47 H UNK 0 10.375 -0.898 0.749 0.00 0.00 H+0 HETATM 48 H UNK 0 11.882 -0.598 1.666 0.00 0.00 H+0 HETATM 49 H UNK 0 10.272 -0.071 2.379 0.00 0.00 H+0 HETATM 50 H UNK 0 8.576 0.074 0.757 0.00 0.00 H+0 HETATM 51 H UNK 0 5.238 2.797 -0.433 0.00 0.00 H+0 HETATM 52 H UNK 0 3.720 -1.805 0.385 0.00 0.00 H+0 HETATM 53 H UNK 0 1.873 -2.202 0.271 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.515 -2.570 0.089 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.430 -2.632 0.015 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.993 -5.009 -2.736 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.857 -3.362 -3.562 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.388 -4.402 -3.218 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.383 -4.438 -0.949 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.504 -4.314 0.426 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.771 -5.533 -0.931 0.00 0.00 H+0 HETATM 62 H UNK 0 -5.912 -2.282 -1.556 0.00 0.00 H+0 HETATM 63 H UNK 0 -7.210 -3.743 -2.804 0.00 0.00 H+0 HETATM 64 H UNK 0 -8.266 -3.108 -1.427 0.00 0.00 H+0 HETATM 65 H UNK 0 -8.141 -4.839 -1.771 0.00 0.00 H+0 HETATM 66 H UNK 0 -6.309 -1.879 0.664 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.978 -3.017 2.286 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.790 -1.662 1.610 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.671 2.159 -0.612 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.146 4.729 -0.177 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.393 5.898 2.537 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.947 6.348 1.621 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.766 5.730 3.334 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.314 3.059 3.255 0.00 0.00 H+0 HETATM 75 H UNK 0 6.842 3.428 -1.318 0.00 0.00 H+0 HETATM 76 H UNK 0 8.968 4.508 -1.277 0.00 0.00 H+0 HETATM 77 H UNK 0 11.991 3.151 0.157 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 1 3 CONECT 3 2 4 45 CONECT 4 3 5 50 CONECT 5 4 6 43 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 51 CONECT 9 8 10 41 CONECT 10 9 11 12 CONECT 11 10 52 CONECT 12 10 13 39 CONECT 13 12 14 53 CONECT 14 13 15 54 CONECT 15 14 16 37 CONECT 16 15 17 CONECT 17 16 18 27 55 CONECT 18 17 19 CONECT 19 18 20 21 22 CONECT 20 19 56 57 58 CONECT 21 19 59 60 61 CONECT 22 19 23 25 62 CONECT 23 22 24 CONECT 24 23 63 64 65 CONECT 25 22 26 27 66 CONECT 26 25 67 CONECT 27 25 28 17 68 CONECT 28 27 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 36 CONECT 32 31 33 69 CONECT 33 32 34 70 CONECT 34 33 35 36 CONECT 35 34 71 72 73 CONECT 36 34 31 74 CONECT 37 15 38 39 CONECT 38 37 CONECT 39 37 40 12 CONECT 40 39 41 CONECT 41 40 42 9 CONECT 42 41 CONECT 43 5 44 75 CONECT 44 43 45 76 CONECT 45 44 46 3 CONECT 46 45 77 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 4 CONECT 51 8 CONECT 52 11 CONECT 53 13 CONECT 54 14 CONECT 55 17 CONECT 56 20 CONECT 57 20 CONECT 58 20 CONECT 59 21 CONECT 60 21 CONECT 61 21 CONECT 62 22 CONECT 63 24 CONECT 64 24 CONECT 65 24 CONECT 66 25 CONECT 67 26 CONECT 68 27 CONECT 69 32 CONECT 70 33 CONECT 71 35 CONECT 72 35 CONECT 73 35 CONECT 74 36 CONECT 75 43 CONECT 76 44 CONECT 77 46 MASTER 0 0 0 0 0 0 0 0 77 0 162 0 END