HEADER PROTEIN 23-DEC-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-DEC-21 0 HETATM 1 C UNK 0 -2.872 4.566 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.505 -0.531 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.534 0.470 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.501 -6.686 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.034 -6.427 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.736 -7.817 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -7.139 -5.861 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.653 -8.928 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.941 -0.491 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 3.902 6.032 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.873 7.060 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.457 6.945 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.527 5.861 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -1.434 4.846 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 -1.121 6.311 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 0.208 7.027 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 0.201 8.553 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 1.496 6.338 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 1.775 4.825 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 3.173 4.621 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 3.915 3.285 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 3.241 2.004 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 1.755 1.656 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 1.496 0.198 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 0.208 -0.504 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.121 0.232 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.845 1.888 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 -1.353 1.629 0.000 0.00 0.00 N-1 HETATM 29 N UNK 0 1.796 -3.387 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 0.392 -4.041 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 0.583 -5.582 0.000 0.00 0.00 N+0 HETATM 32 O UNK 0 -4.086 -8.580 0.000 0.00 0.00 O+0 HETATM 33 P UNK 0 -7.146 -8.539 0.000 0.00 0.00 P+0 HETATM 34 O UNK 0 -7.909 -7.197 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -7.909 -4.525 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 -7.118 -3.183 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 -5.592 -3.190 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.808 -1.867 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -3.288 -1.874 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -4.828 -4.539 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -5.599 -5.861 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -7.152 -10.080 0.000 0.00 0.00 O-1 HETATM 43 O UNK 0 -8.495 -9.309 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -0.269 -8.226 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -2.430 -10.250 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -1.660 -11.593 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 -2.791 -5.091 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 2.096 -5.888 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 2.845 -4.525 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 4.393 -4.491 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 5.190 -5.827 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 4.440 -7.197 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 2.900 -7.210 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 5.203 -8.539 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 6.717 -5.813 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.074 0.477 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -6.409 1.261 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 -6.409 2.822 0.000 0.00 0.00 O+0 HETATM 59 N UNK 0 -7.739 0.477 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 -1.741 -1.881 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 0.208 -2.065 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 3.949 0.545 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 5.271 1.322 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 5.278 -0.232 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 2.934 -2.038 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 4.256 -2.808 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 5.783 -2.808 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 6.526 -1.479 0.000 0.00 0.00 O+0 HETATM 69 N UNK 0 6.526 -4.123 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 2.873 8.587 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 4.188 9.371 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 4.188 10.904 0.000 0.00 0.00 O+0 HETATM 73 N UNK 0 5.530 8.587 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 4.406 7.060 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 5.428 6.025 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 6.192 4.689 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 7.739 4.689 0.000 0.00 0.00 C+0 HETATM 78 O UNK 0 8.495 6.038 0.000 0.00 0.00 O+0 HETATM 79 N UNK 0 8.495 3.340 0.000 0.00 0.00 N+0 HETATM 80 C UNK 0 -4.856 6.638 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -6.409 6.645 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 -7.180 7.981 0.000 0.00 0.00 O+0 HETATM 83 N UNK 0 -7.180 5.303 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 -4.856 5.091 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -2.470 8.492 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -1.148 9.262 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -1.155 10.809 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 -2.484 11.593 0.000 0.00 0.00 O+0 HETATM 89 N UNK 0 0.167 11.586 0.000 0.00 0.00 N+0 HETATM 90 C UNK 0 -4.215 3.796 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 0.276 4.655 0.000 0.00 0.00 C-1 HETATM 92 N UNK 0 0.276 5.732 0.000 0.00 0.00 N+0 HETATM 93 Co UNK 0 0.250 3.346 0.000 0.00 0.00 Co+3 CONECT 1 13 14 27 90 CONECT 2 3 26 39 60 CONECT 3 2 27 56 CONECT 4 5 31 44 CONECT 5 4 6 47 CONECT 6 5 8 32 CONECT 7 34 35 41 CONECT 8 6 44 45 CONECT 9 24 62 65 CONECT 10 11 20 75 CONECT 11 10 18 70 74 CONECT 12 13 15 85 CONECT 13 1 12 80 84 CONECT 14 1 15 CONECT 15 14 12 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 11 16 19 CONECT 19 18 20 CONECT 20 19 10 21 CONECT 21 20 22 CONECT 22 21 23 62 CONECT 23 22 24 CONECT 24 23 9 25 CONECT 25 24 26 61 CONECT 26 25 2 28 CONECT 27 1 3 28 CONECT 28 27 26 CONECT 29 30 49 CONECT 30 29 31 CONECT 31 4 30 48 CONECT 32 6 33 CONECT 33 32 34 42 43 CONECT 34 33 7 CONECT 35 7 36 CONECT 36 35 37 CONECT 37 36 38 40 CONECT 38 37 39 CONECT 39 2 38 CONECT 40 37 CONECT 41 7 CONECT 42 33 CONECT 43 33 CONECT 44 8 4 CONECT 45 8 46 CONECT 46 45 CONECT 47 5 CONECT 48 31 49 53 CONECT 49 48 29 50 CONECT 50 49 51 CONECT 51 50 52 55 CONECT 52 51 53 54 CONECT 53 48 52 CONECT 54 52 CONECT 55 51 CONECT 56 3 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 CONECT 60 2 CONECT 61 25 CONECT 62 9 22 63 64 CONECT 63 62 CONECT 64 62 CONECT 65 9 66 CONECT 66 65 67 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 CONECT 70 11 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 11 CONECT 75 10 76 CONECT 76 75 77 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 CONECT 80 13 81 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 CONECT 84 13 CONECT 85 12 86 CONECT 86 85 87 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 CONECT 90 1 CONECT 91 92 CONECT 92 91 MASTER 0 0 0 0 0 0 0 0 93 0 196 0 END