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 9.829 0.484 -2.228 0.00 0.00 C+0 HETATM 2 N UNK 0 9.061 1.139 -1.216 0.00 0.00 N+0 HETATM 3 C UNK 0 7.876 0.736 -0.853 0.00 0.00 C+0 HETATM 4 N UNK 0 7.066 1.346 0.146 0.00 0.00 N+0 HETATM 5 C UNK 0 6.113 0.371 0.649 0.00 0.00 C+0 HETATM 6 C UNK 0 4.739 0.936 0.802 0.00 0.00 C+0 HETATM 7 O UNK 0 4.373 0.907 2.153 0.00 0.00 O+0 HETATM 8 C UNK 0 3.858 -0.075 0.101 0.00 0.00 C+0 HETATM 9 O UNK 0 2.680 0.503 -0.352 0.00 0.00 O+0 HETATM 10 C UNK 0 1.526 -0.101 0.172 0.00 0.00 C+0 HETATM 11 O UNK 0 0.917 -0.702 -0.891 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.411 -0.959 -0.794 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.700 -2.193 0.048 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.037 -2.471 0.160 0.00 0.00 O+0 HETATM 15 C UNK 0 -1.254 0.221 -0.428 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.541 -0.182 -0.035 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.545 0.303 -0.835 0.00 0.00 C+0 HETATM 18 O UNK 0 -4.400 1.176 -0.175 0.00 0.00 O+0 HETATM 19 C UNK 0 -5.255 0.583 0.720 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.140 1.160 2.101 0.00 0.00 C+0 HETATM 21 O UNK 0 -5.403 2.501 2.193 0.00 0.00 O+0 HETATM 22 C UNK 0 -6.679 2.852 1.796 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.071 -0.923 0.792 0.00 0.00 C+0 HETATM 24 O UNK 0 -6.171 -1.409 1.536 0.00 0.00 O+0 HETATM 25 C UNK 0 -5.197 -1.497 -0.590 0.00 0.00 C+0 HETATM 26 O UNK 0 -5.022 -2.880 -0.560 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.264 -0.807 -1.544 0.00 0.00 C+0 HETATM 28 N UNK 0 -5.034 -0.204 -2.615 0.00 0.00 N+0 HETATM 29 C UNK 0 -4.799 -0.564 -3.967 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.559 0.024 -5.097 0.00 0.00 C+0 HETATM 31 O UNK 0 -3.915 -1.415 -4.234 0.00 0.00 O+0 HETATM 32 C UNK 0 -0.651 1.127 0.588 0.00 0.00 C+0 HETATM 33 O UNK 0 -1.463 1.071 1.750 0.00 0.00 O+0 HETATM 34 C UNK 0 0.748 0.833 1.002 0.00 0.00 C+0 HETATM 35 N UNK 0 0.784 0.485 2.434 0.00 0.00 N+0 HETATM 36 C UNK 0 1.337 1.299 3.429 0.00 0.00 C+0 HETATM 37 C UNK 0 1.363 0.929 4.861 0.00 0.00 C+0 HETATM 38 O UNK 0 1.836 2.399 3.096 0.00 0.00 O+0 HETATM 39 C UNK 0 4.727 -0.483 -1.070 0.00 0.00 C+0 HETATM 40 C UNK 0 4.227 -1.765 -1.700 0.00 0.00 C+0 HETATM 41 O UNK 0 5.027 -2.139 -2.776 0.00 0.00 O+0 HETATM 42 C UNK 0 6.077 -0.651 -0.440 0.00 0.00 C+0 HETATM 43 O UNK 0 7.142 -0.341 -1.329 0.00 0.00 O+0 HETATM 44 H UNK 0 10.921 0.715 -2.055 0.00 0.00 H+0 HETATM 45 H UNK 0 9.753 -0.616 -2.228 0.00 0.00 H+0 HETATM 46 H UNK 0 9.592 0.935 -3.215 0.00 0.00 H+0 HETATM 47 H UNK 0 7.142 2.352 0.472 0.00 0.00 H+0 HETATM 48 H UNK 0 6.535 -0.006 1.603 0.00 0.00 H+0 HETATM 49 H UNK 0 4.615 1.949 0.359 0.00 0.00 H+0 HETATM 50 H UNK 0 4.904 0.196 2.586 0.00 0.00 H+0 HETATM 51 H UNK 0 3.682 -0.917 0.800 0.00 0.00 H+0 HETATM 52 H UNK 0 1.923 -0.916 0.851 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.744 -1.254 -1.838 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.208 -2.080 1.035 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.227 -3.103 -0.405 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.248 -2.856 1.053 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.438 0.859 -1.348 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.076 0.930 -1.650 0.00 0.00 H+0 HETATM 59 H UNK 0 -6.296 0.739 0.367 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.828 0.636 2.803 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.113 0.974 2.478 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.919 2.609 0.751 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.790 3.959 1.925 0.00 0.00 H+0 HETATM 64 H UNK 0 -7.464 2.344 2.414 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.170 -1.211 1.333 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.884 -1.935 2.300 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.267 -1.339 -0.914 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.243 -3.194 0.353 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.538 -1.523 -1.933 0.00 0.00 H+0 HETATM 70 H UNK 0 -5.769 0.504 -2.389 0.00 0.00 H+0 HETATM 71 H UNK 0 -5.791 -0.711 -5.884 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.522 0.488 -4.768 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.930 0.871 -5.491 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.755 2.213 0.278 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.665 0.144 1.974 0.00 0.00 H+0 HETATM 76 H UNK 0 1.296 1.829 0.981 0.00 0.00 H+0 HETATM 77 H UNK 0 0.357 -0.441 2.679 0.00 0.00 H+0 HETATM 78 H UNK 0 1.285 -0.188 4.911 0.00 0.00 H+0 HETATM 79 H UNK 0 0.485 1.331 5.409 0.00 0.00 H+0 HETATM 80 H UNK 0 2.328 1.274 5.289 0.00 0.00 H+0 HETATM 81 H UNK 0 4.687 0.362 -1.796 0.00 0.00 H+0 HETATM 82 H UNK 0 4.322 -2.564 -0.929 0.00 0.00 H+0 HETATM 83 H UNK 0 3.205 -1.642 -2.079 0.00 0.00 H+0 HETATM 84 H UNK 0 5.883 -1.644 -2.808 0.00 0.00 H+0 HETATM 85 H UNK 0 6.176 -1.693 -0.070 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 CONECT 3 2 4 43 CONECT 4 3 5 47 CONECT 5 4 6 42 48 CONECT 6 5 7 8 49 CONECT 7 6 50 CONECT 8 6 9 39 51 CONECT 9 8 10 CONECT 10 9 11 34 52 CONECT 11 10 12 CONECT 12 11 13 15 53 CONECT 13 12 14 54 55 CONECT 14 13 56 CONECT 15 12 16 32 57 CONECT 16 15 17 CONECT 17 16 18 27 58 CONECT 18 17 19 CONECT 19 18 20 23 59 CONECT 20 19 21 60 61 CONECT 21 20 22 CONECT 22 21 62 63 64 CONECT 23 19 24 25 65 CONECT 24 23 66 CONECT 25 23 26 27 67 CONECT 26 25 68 CONECT 27 25 28 17 69 CONECT 28 27 29 70 CONECT 29 28 30 31 CONECT 30 29 71 72 73 CONECT 31 29 CONECT 32 15 33 34 74 CONECT 33 32 75 CONECT 34 32 35 10 76 CONECT 35 34 36 77 CONECT 36 35 37 38 CONECT 37 36 78 79 80 CONECT 38 36 CONECT 39 8 40 42 81 CONECT 40 39 41 82 83 CONECT 41 40 84 CONECT 42 39 43 5 85 CONECT 43 42 3 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 4 CONECT 48 5 CONECT 49 6 CONECT 50 7 CONECT 51 8 CONECT 52 10 CONECT 53 12 CONECT 54 13 CONECT 55 13 CONECT 56 14 CONECT 57 15 CONECT 58 17 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 22 CONECT 63 22 CONECT 64 22 CONECT 65 23 CONECT 66 24 CONECT 67 25 CONECT 68 26 CONECT 69 27 CONECT 70 28 CONECT 71 30 CONECT 72 30 CONECT 73 30 CONECT 74 32 CONECT 75 33 CONECT 76 34 CONECT 77 35 CONECT 78 37 CONECT 79 37 CONECT 80 37 CONECT 81 39 CONECT 82 40 CONECT 83 40 CONECT 84 41 CONECT 85 42 MASTER 0 0 0 0 0 0 0 0 85 0 176 0 END