HEADER PROTEIN 23-JAN-24 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-JAN-24 0 HETATM 1 O UNK 0 4.425 -1.474 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 3.034 -0.122 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 1.439 -0.048 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 1.018 -1.530 0.000 0.00 0.00 H+0 HETATM 5 C UNK 0 0.681 1.382 0.000 0.00 0.00 C+0 HETATM 6 H UNK 0 -0.763 0.845 0.000 0.00 0.00 H+0 HETATM 7 C UNK 0 1.911 2.014 0.000 0.00 0.00 C+0 HETATM 8 H UNK 0 0.556 2.745 0.000 0.00 0.00 H+0 HETATM 9 C UNK 0 3.041 2.757 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 4.055 3.984 0.000 0.00 0.00 C+0 HETATM 11 H UNK 0 2.594 4.470 0.000 0.00 0.00 H+0 HETATM 12 C UNK 0 5.606 3.842 0.000 0.00 0.00 C+0 HETATM 13 H UNK 0 6.967 4.563 0.000 0.00 0.00 H+0 HETATM 14 C UNK 0 6.248 2.433 0.000 0.00 0.00 C+0 HETATM 15 H UNK 0 7.210 1.231 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 5.363 1.166 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 5.000 -0.331 0.000 0.00 0.00 H+0 HETATM 18 C UNK 0 3.812 1.302 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 4.012 -0.635 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 4.862 0.649 0.000 0.00 0.00 H+0 HETATM 21 O UNK 0 3.627 -2.540 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 4.169 -4.386 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 3.592 -5.949 0.000 0.00 0.00 C+0 HETATM 24 H UNK 0 2.395 -4.980 0.000 0.00 0.00 H+0 HETATM 25 C UNK 0 4.774 -7.036 0.000 0.00 0.00 C+0 HETATM 26 H UNK 0 6.309 -7.155 0.000 0.00 0.00 H+0 HETATM 27 C UNK 0 4.645 -8.593 0.000 0.00 0.00 C+0 HETATM 28 H UNK 0 3.111 -8.467 0.000 0.00 0.00 H+0 HETATM 29 H UNK 0 4.519 -10.128 0.000 0.00 0.00 H+0 HETATM 30 H UNK 0 6.180 -8.719 0.000 0.00 0.00 H+0 HETATM 31 H UNK 0 5.821 -5.907 0.000 0.00 0.00 H+0 HETATM 32 C UNK 0 2.218 -6.818 0.000 0.00 0.00 C+0 HETATM 33 H UNK 0 1.395 -5.516 0.000 0.00 0.00 H+0 HETATM 34 H UNK 0 0.916 -7.640 0.000 0.00 0.00 H+0 HETATM 35 H UNK 0 3.041 -8.119 0.000 0.00 0.00 H+0 HETATM 36 O UNK 0 5.796 -4.615 0.000 0.00 0.00 O+0 HETATM 37 H UNK 0 5.426 -1.245 0.000 0.00 0.00 H+0 HETATM 38 O UNK 0 6.873 0.550 0.000 0.00 0.00 O+0 HETATM 39 H UNK 0 7.417 -0.891 0.000 0.00 0.00 H+0 HETATM 40 O UNK 0 7.784 3.063 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 9.157 3.955 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 10.623 3.188 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 11.772 4.213 0.000 0.00 0.00 C+0 HETATM 44 H UNK 0 11.459 5.721 0.000 0.00 0.00 H+0 HETATM 45 C UNK 0 13.235 3.730 0.000 0.00 0.00 C+0 HETATM 46 H UNK 0 14.384 4.756 0.000 0.00 0.00 H+0 HETATM 47 C UNK 0 10.936 1.680 0.000 0.00 0.00 C+0 HETATM 48 N UNK 0 12.399 1.198 0.000 0.00 0.00 N+0 HETATM 49 C UNK 0 13.548 2.223 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 15.010 1.740 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 12.712 -0.310 0.000 0.00 0.00 C+0 HETATM 52 H UNK 0 11.204 -0.623 0.000 0.00 0.00 H+0 HETATM 53 H UNK 0 13.025 -1.818 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 14.220 0.003 0.000 0.00 0.00 H+0 HETATM 55 H UNK 0 9.787 0.655 0.000 0.00 0.00 H+0 HETATM 56 O UNK 0 8.936 5.612 0.000 0.00 0.00 O+0 HETATM 57 H UNK 0 5.839 5.364 0.000 0.00 0.00 H+0 HETATM 58 C UNK 0 3.974 5.649 0.000 0.00 0.00 C+0 HETATM 59 H UNK 0 5.512 5.724 0.000 0.00 0.00 H+0 HETATM 60 H UNK 0 3.899 7.187 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 2.436 5.574 0.000 0.00 0.00 H+0 HETATM 62 O UNK 0 1.721 3.793 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 2.512 0.626 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 2.260 -1.166 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 2.439 -2.810 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 0.949 -2.420 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 1.545 -4.064 0.000 0.00 0.00 H+0 HETATM 68 H UNK 0 3.292 -4.092 0.000 0.00 0.00 H+0 HETATM 69 O UNK 0 0.861 -1.858 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 0.320 2.957 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -1.327 2.814 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 -2.485 3.829 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.601 1.949 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.811 1.363 0.000 0.00 0.00 H+0 HETATM 75 C UNK 0 -0.535 4.393 0.000 0.00 0.00 C+0 HETATM 76 H UNK 0 0.942 4.829 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.591 5.932 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.040 4.720 0.000 0.00 0.00 H+0 HETATM 79 O UNK 0 -0.177 -0.699 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 -1.915 -0.803 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -2.325 -2.441 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -3.861 -2.544 0.000 0.00 0.00 C+0 HETATM 83 N UNK 0 -4.540 -3.927 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 -3.682 -5.206 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -2.146 -5.102 0.000 0.00 0.00 C+0 HETATM 86 H UNK 0 -1.288 -6.381 0.000 0.00 0.00 H+0 HETATM 87 C UNK 0 -1.467 -3.720 0.000 0.00 0.00 C+0 HETATM 88 H UNK 0 0.069 -3.617 0.000 0.00 0.00 H+0 HETATM 89 O UNK 0 -4.361 -6.588 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 -6.077 -4.030 0.000 0.00 0.00 C+0 HETATM 91 H UNK 0 -6.180 -2.493 0.000 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.613 -4.133 0.000 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.973 -5.566 0.000 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.719 -1.265 0.000 0.00 0.00 H+0 HETATM 95 O UNK 0 -3.272 0.148 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 18 CONECT 3 2 4 5 79 CONECT 4 3 CONECT 5 3 6 7 70 CONECT 6 5 CONECT 7 5 8 9 63 CONECT 8 7 CONECT 9 7 10 18 62 CONECT 10 9 11 12 58 CONECT 11 10 CONECT 12 10 13 14 57 CONECT 13 12 CONECT 14 12 15 16 40 CONECT 15 14 CONECT 16 14 17 18 38 CONECT 17 16 CONECT 18 16 9 2 19 CONECT 19 18 20 21 37 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 36 CONECT 23 22 24 25 32 CONECT 24 23 CONECT 25 23 26 27 31 CONECT 26 25 CONECT 27 25 28 29 30 CONECT 28 27 CONECT 29 27 CONECT 30 27 CONECT 31 25 CONECT 32 23 33 34 35 CONECT 33 32 CONECT 34 32 CONECT 35 32 CONECT 36 22 CONECT 37 19 CONECT 38 16 39 CONECT 39 38 CONECT 40 14 41 CONECT 41 40 42 56 CONECT 42 41 43 47 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 49 CONECT 46 45 CONECT 47 42 48 55 CONECT 48 47 49 51 CONECT 49 48 45 50 CONECT 50 49 CONECT 51 48 52 53 54 CONECT 52 51 CONECT 53 51 CONECT 54 51 CONECT 55 47 CONECT 56 41 CONECT 57 12 CONECT 58 10 59 60 61 CONECT 59 58 CONECT 60 58 CONECT 61 58 CONECT 62 9 70 CONECT 63 7 64 CONECT 64 63 65 69 CONECT 65 64 66 67 68 CONECT 66 65 CONECT 67 65 CONECT 68 65 CONECT 69 64 CONECT 70 5 62 71 75 CONECT 71 70 72 73 74 CONECT 72 71 CONECT 73 71 CONECT 74 71 CONECT 75 70 76 77 78 CONECT 76 75 CONECT 77 75 CONECT 78 75 CONECT 79 3 80 CONECT 80 79 81 95 CONECT 81 80 82 87 CONECT 82 81 83 94 CONECT 83 82 84 90 CONECT 84 83 85 89 CONECT 85 84 86 87 CONECT 86 85 CONECT 87 85 81 88 CONECT 88 87 CONECT 89 84 CONECT 90 83 91 92 93 CONECT 91 90 CONECT 92 90 CONECT 93 90 CONECT 94 82 CONECT 95 80 MASTER 0 0 0 0 0 0 0 0 95 0 198 0 END