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 1.276 -6.449 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 1.322 -4.857 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 1.860 -3.200 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 1.500 -1.722 0.000 0.00 0.00 C+0 HETATM 5 H UNK 0 0.766 -0.368 0.000 0.00 0.00 H+0 HETATM 6 C UNK 0 2.617 -0.994 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 1.344 0.091 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 3.550 0.274 0.000 0.00 0.00 C+0 HETATM 9 H UNK 0 2.042 0.586 0.000 0.00 0.00 H+0 HETATM 10 C UNK 0 5.090 0.180 0.000 0.00 0.00 C+0 HETATM 11 H UNK 0 6.614 0.400 0.000 0.00 0.00 H+0 HETATM 12 C UNK 0 5.787 -1.206 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 7.089 -0.093 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 8.705 0.337 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 10.111 -0.544 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 11.343 0.381 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 11.157 1.910 0.000 0.00 0.00 H+0 HETATM 18 C UNK 0 12.759 -0.223 0.000 0.00 0.00 C+0 HETATM 19 H UNK 0 13.991 0.702 0.000 0.00 0.00 H+0 HETATM 20 C UNK 0 10.297 -2.073 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 11.714 -2.677 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 12.945 -1.752 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 14.362 -2.355 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 11.899 -4.205 0.000 0.00 0.00 C+0 HETATM 25 H UNK 0 10.370 -4.391 0.000 0.00 0.00 H+0 HETATM 26 H UNK 0 12.085 -5.734 0.000 0.00 0.00 H+0 HETATM 27 H UNK 0 13.428 -4.020 0.000 0.00 0.00 H+0 HETATM 28 H UNK 0 9.066 -2.998 0.000 0.00 0.00 H+0 HETATM 29 O UNK 0 9.156 1.934 0.000 0.00 0.00 O+0 HETATM 30 H UNK 0 6.947 -2.218 0.000 0.00 0.00 H+0 HETATM 31 O UNK 0 5.400 1.894 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 5.227 3.596 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 6.070 5.006 0.000 0.00 0.00 C+0 HETATM 34 H UNK 0 7.392 4.216 0.000 0.00 0.00 H+0 HETATM 35 H UNK 0 6.860 6.328 0.000 0.00 0.00 H+0 HETATM 36 H UNK 0 4.748 5.797 0.000 0.00 0.00 H+0 HETATM 37 O UNK 0 4.048 4.749 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 3.184 1.856 0.000 0.00 0.00 C+0 HETATM 39 H UNK 0 4.724 1.837 0.000 0.00 0.00 H+0 HETATM 40 H UNK 0 3.568 3.348 0.000 0.00 0.00 H+0 HETATM 41 H UNK 0 1.827 2.584 0.000 0.00 0.00 H+0 HETATM 42 C UNK 0 3.377 -2.465 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 4.948 -2.512 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 6.149 -3.775 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 7.830 -4.431 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 9.099 -3.615 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 10.615 -3.345 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 10.056 -2.408 0.000 0.00 0.00 H+0 HETATM 49 H UNK 0 7.728 -2.914 0.000 0.00 0.00 H+0 HETATM 50 O UNK 0 9.309 -5.317 0.000 0.00 0.00 O+0 HETATM 51 H UNK 0 4.230 -1.150 0.000 0.00 0.00 H+0 HETATM 52 C UNK 0 4.865 -3.778 0.000 0.00 0.00 C+0 HETATM 53 H UNK 0 3.569 -4.611 0.000 0.00 0.00 H+0 HETATM 54 O UNK 0 6.516 -4.759 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 7.566 -6.144 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 9.134 -6.660 0.000 0.00 0.00 C+0 HETATM 57 H UNK 0 10.436 -7.481 0.000 0.00 0.00 H+0 HETATM 58 C UNK 0 10.813 -5.922 0.000 0.00 0.00 C+0 HETATM 59 H UNK 0 11.433 -7.332 0.000 0.00 0.00 H+0 HETATM 60 H UNK 0 12.161 -6.667 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 11.646 -4.627 0.000 0.00 0.00 H+0 HETATM 62 C UNK 0 9.187 -8.311 0.000 0.00 0.00 C+0 HETATM 63 H UNK 0 7.685 -7.972 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 8.481 -9.679 0.000 0.00 0.00 H+0 HETATM 65 H UNK 0 10.334 -9.338 0.000 0.00 0.00 H+0 HETATM 66 O UNK 0 7.367 -7.775 0.000 0.00 0.00 O+0 HETATM 67 H UNK 0 4.469 -5.267 0.000 0.00 0.00 H+0 HETATM 68 C UNK 0 0.234 -2.280 0.000 0.00 0.00 C+0 HETATM 69 H UNK 0 -1.229 -2.758 0.000 0.00 0.00 H+0 HETATM 70 C UNK 0 -0.074 -0.698 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -1.238 0.478 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 0.131 1.185 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.504 1.995 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.765 0.677 0.000 0.00 0.00 H+0 HETATM 75 C UNK 0 -1.712 -0.551 0.000 0.00 0.00 C+0 HETATM 76 H UNK 0 -3.242 -0.730 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.418 -1.920 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.970 -1.901 0.000 0.00 0.00 H+0 HETATM 79 C UNK 0 0.922 -3.740 0.000 0.00 0.00 C+0 HETATM 80 H UNK 0 -0.512 -3.178 0.000 0.00 0.00 H+0 HETATM 81 O UNK 0 -0.804 -4.436 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 -2.505 -4.615 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -3.613 -5.763 0.000 0.00 0.00 C+0 HETATM 84 H UNK 0 -4.721 -4.693 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.682 -6.871 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.505 -6.832 0.000 0.00 0.00 H+0 HETATM 87 O UNK 0 -3.959 -3.838 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 2.522 -3.867 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 2.647 -5.867 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 2.094 -7.796 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 2.837 -9.310 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 4.123 -10.264 0.000 0.00 0.00 C+0 HETATM 93 H UNK 0 3.205 -11.500 0.000 0.00 0.00 H+0 HETATM 94 H UNK 0 5.360 -11.181 0.000 0.00 0.00 H+0 HETATM 95 H UNK 0 5.040 -9.027 0.000 0.00 0.00 H+0 HETATM 96 C UNK 0 2.244 -10.845 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 3.211 -12.044 0.000 0.00 0.00 C+0 HETATM 98 H UNK 0 1.869 -12.798 0.000 0.00 0.00 H+0 HETATM 99 H UNK 0 3.732 -13.493 0.000 0.00 0.00 H+0 HETATM 100 H UNK 0 4.727 -11.771 0.000 0.00 0.00 H+0 HETATM 101 H UNK 0 0.723 -11.084 0.000 0.00 0.00 H+0 HETATM 102 O UNK 0 0.796 -8.895 0.000 0.00 0.00 O+0 HETATM 103 H UNK 0 4.031 -3.557 0.000 0.00 0.00 H+0 HETATM 104 C UNK 0 -0.212 -5.372 0.000 0.00 0.00 C+0 HETATM 105 H UNK 0 -1.742 -5.543 0.000 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.728 -6.823 0.000 0.00 0.00 H+0 HETATM 107 H UNK 0 0.868 -6.470 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 104 CONECT 3 2 4 CONECT 4 3 5 6 68 CONECT 5 4 CONECT 6 4 7 8 42 CONECT 7 6 70 CONECT 8 6 9 10 38 CONECT 9 8 CONECT 10 8 11 12 31 CONECT 11 10 CONECT 12 10 13 30 43 CONECT 13 12 14 CONECT 14 13 15 29 CONECT 15 14 16 20 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 22 CONECT 19 18 CONECT 20 15 21 28 CONECT 21 20 22 24 CONECT 22 21 18 23 CONECT 23 22 CONECT 24 21 25 26 27 CONECT 25 24 CONECT 26 24 CONECT 27 24 CONECT 28 20 CONECT 29 14 CONECT 30 12 CONECT 31 10 32 CONECT 32 31 33 37 CONECT 33 32 34 35 36 CONECT 34 33 CONECT 35 33 CONECT 36 33 CONECT 37 32 CONECT 38 8 39 40 41 CONECT 39 38 CONECT 40 38 CONECT 41 38 CONECT 42 6 43 52 88 CONECT 43 42 12 44 51 CONECT 44 43 45 CONECT 45 44 46 50 CONECT 46 45 47 48 49 CONECT 47 46 CONECT 48 46 CONECT 49 46 CONECT 50 45 CONECT 51 43 CONECT 52 42 53 54 67 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 66 CONECT 56 55 57 58 62 CONECT 57 56 CONECT 58 56 59 60 61 CONECT 59 58 CONECT 60 58 CONECT 61 58 CONECT 62 56 63 64 65 CONECT 63 62 CONECT 64 62 CONECT 65 62 CONECT 66 55 CONECT 67 52 CONECT 68 4 69 70 79 CONECT 69 68 CONECT 70 68 7 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 68 80 81 88 CONECT 80 79 CONECT 81 79 82 CONECT 82 81 83 87 CONECT 83 82 84 85 86 CONECT 84 83 CONECT 85 83 CONECT 86 83 CONECT 87 82 CONECT 88 79 42 89 103 CONECT 89 88 90 CONECT 90 89 91 102 CONECT 91 90 92 96 CONECT 92 91 93 94 95 CONECT 93 92 CONECT 94 92 CONECT 95 92 CONECT 96 91 97 101 CONECT 97 96 98 99 100 CONECT 98 97 CONECT 99 97 CONECT 100 97 CONECT 101 96 CONECT 102 90 CONECT 103 88 CONECT 104 2 105 106 107 CONECT 105 104 CONECT 106 104 CONECT 107 104 MASTER 0 0 0 0 0 0 0 0 107 0 220 0 END