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 -0.115 -4.723 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 1.440 -4.821 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.439 -6.054 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 -1.089 -6.247 0.000 0.00 0.00 H+0 HETATM 5 H UNK 0 0.218 -7.579 0.000 0.00 0.00 H+0 HETATM 6 H UNK 0 1.849 -6.672 0.000 0.00 0.00 H+0 HETATM 7 O UNK 0 1.897 -3.168 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 1.500 -1.722 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.617 -0.994 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 1.344 0.091 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 -0.074 -0.698 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.699 -0.662 0.000 0.00 0.00 C+0 HETATM 13 H UNK 0 -2.727 0.485 0.000 0.00 0.00 H+0 HETATM 14 H UNK 0 -3.065 -1.372 0.000 0.00 0.00 H+0 HETATM 15 H UNK 0 -1.350 -2.162 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 -0.726 0.794 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 0.794 1.042 0.000 0.00 0.00 H+0 HETATM 18 H UNK 0 -0.590 2.328 0.000 0.00 0.00 H+0 HETATM 19 H UNK 0 -2.179 1.305 0.000 0.00 0.00 H+0 HETATM 20 C UNK 0 0.234 -2.280 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 0.922 -3.740 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.928 -3.890 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -2.650 -4.082 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.998 -5.802 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.537 -5.833 0.000 0.00 0.00 C+0 HETATM 26 H UNK 0 -5.334 -4.515 0.000 0.00 0.00 H+0 HETATM 27 N UNK 0 -5.280 -7.182 0.000 0.00 0.00 N+0 HETATM 28 C UNK 0 -4.484 -8.500 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 -5.227 -9.849 0.000 0.00 0.00 H+0 HETATM 30 C UNK 0 -2.944 -8.469 0.000 0.00 0.00 C+0 HETATM 31 H UNK 0 -2.147 -9.787 0.000 0.00 0.00 H+0 HETATM 32 C UNK 0 -2.201 -7.120 0.000 0.00 0.00 C+0 HETATM 33 H UNK 0 -1.027 -8.117 0.000 0.00 0.00 H+0 HETATM 34 O UNK 0 -3.803 -3.005 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 2.522 -3.867 0.000 0.00 0.00 C+0 HETATM 36 H UNK 0 4.013 -4.256 0.000 0.00 0.00 H+0 HETATM 37 O UNK 0 2.596 -5.888 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 2.379 -7.856 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 1.517 -9.403 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 1.022 -10.988 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 0.933 -12.585 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 -0.296 -13.514 0.000 0.00 0.00 H+0 HETATM 43 H UNK 0 1.551 -13.995 0.000 0.00 0.00 H+0 HETATM 44 H UNK 0 2.448 -12.311 0.000 0.00 0.00 H+0 HETATM 45 H UNK 0 2.537 -11.263 0.000 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.448 -11.448 0.000 0.00 0.00 H+0 HETATM 47 C UNK 0 0.017 -9.699 0.000 0.00 0.00 C+0 HETATM 48 H UNK 0 -0.645 -8.309 0.000 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.448 -9.224 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.335 -10.436 0.000 0.00 0.00 H+0 HETATM 51 H UNK 0 0.612 -8.157 0.000 0.00 0.00 H+0 HETATM 52 O UNK 0 3.034 -9.327 0.000 0.00 0.00 O+0 HETATM 53 H UNK 0 1.377 -2.269 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.639 -3.548 0.000 0.00 0.00 H+0 HETATM 55 C UNK 0 3.550 0.274 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 5.090 0.180 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 5.787 -1.206 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 4.948 -2.512 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 3.377 -2.465 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 4.812 -3.935 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 5.576 -5.654 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 6.288 -7.363 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 6.266 -9.154 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 6.683 -10.797 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 6.016 -12.303 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 4.608 -11.679 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 5.392 -13.711 0.000 0.00 0.00 H+0 HETATM 68 H UNK 0 7.424 -12.927 0.000 0.00 0.00 H+0 HETATM 69 H UNK 0 8.029 -11.545 0.000 0.00 0.00 H+0 HETATM 70 H UNK 0 8.135 -10.286 0.000 0.00 0.00 H+0 HETATM 71 C UNK 0 5.091 -10.207 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 4.974 -8.672 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 3.802 -9.365 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 3.638 -10.717 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 7.795 -8.972 0.000 0.00 0.00 H+0 HETATM 76 O UNK 0 7.789 -8.108 0.000 0.00 0.00 O+0 HETATM 77 H UNK 0 4.233 -5.362 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 3.305 -3.618 0.000 0.00 0.00 H+0 HETATM 79 O UNK 0 6.436 -3.786 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 8.053 -4.370 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 9.578 -4.158 0.000 0.00 0.00 C+0 HETATM 82 H UNK 0 10.846 -5.032 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 10.765 -3.176 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 8.958 -2.748 0.000 0.00 0.00 H+0 HETATM 85 O UNK 0 9.066 -5.666 0.000 0.00 0.00 O+0 HETATM 86 H UNK 0 4.230 -1.150 0.000 0.00 0.00 H+0 HETATM 87 O UNK 0 7.080 -0.147 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 8.557 0.579 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 10.051 -0.129 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 11.114 0.986 0.000 0.00 0.00 C+0 HETATM 91 H UNK 0 10.680 2.463 0.000 0.00 0.00 H+0 HETATM 92 C UNK 0 12.611 0.623 0.000 0.00 0.00 C+0 HETATM 93 H UNK 0 13.673 1.738 0.000 0.00 0.00 H+0 HETATM 94 C UNK 0 10.486 -1.607 0.000 0.00 0.00 C+0 HETATM 95 H UNK 0 8.986 -1.959 0.000 0.00 0.00 H+0 HETATM 96 N UNK 0 11.982 -1.969 0.000 0.00 0.00 N+0 HETATM 97 C UNK 0 12.416 -3.447 0.000 0.00 0.00 C+0 HETATM 98 H UNK 0 11.756 -4.838 0.000 0.00 0.00 H+0 HETATM 99 H UNK 0 13.570 -4.467 0.000 0.00 0.00 H+0 HETATM 100 H UNK 0 13.716 -2.621 0.000 0.00 0.00 H+0 HETATM 101 C UNK 0 13.045 -0.855 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 14.541 -1.218 0.000 0.00 0.00 O+0 HETATM 103 O UNK 0 8.376 2.227 0.000 0.00 0.00 O+0 HETATM 104 H UNK 0 6.937 -2.230 0.000 0.00 0.00 H+0 HETATM 105 H UNK 0 6.425 0.949 0.000 0.00 0.00 H+0 HETATM 106 H UNK 0 5.272 1.709 0.000 0.00 0.00 H+0 HETATM 107 C UNK 0 3.467 1.940 0.000 0.00 0.00 C+0 HETATM 108 H UNK 0 5.005 2.017 0.000 0.00 0.00 H+0 HETATM 109 H UNK 0 3.391 3.478 0.000 0.00 0.00 H+0 HETATM 110 H UNK 0 1.929 1.863 0.000 0.00 0.00 H+0 HETATM 111 H UNK 0 2.076 0.718 0.000 0.00 0.00 H+0 HETATM 112 H UNK 0 0.766 -0.368 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 7 CONECT 3 2 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 2 8 CONECT 8 7 9 20 112 CONECT 9 8 10 55 59 CONECT 10 9 11 CONECT 11 10 12 16 20 CONECT 12 11 13 14 15 CONECT 13 12 CONECT 14 12 CONECT 15 12 CONECT 16 11 17 18 19 CONECT 17 16 CONECT 18 16 CONECT 19 16 CONECT 20 11 8 21 54 CONECT 21 20 22 35 53 CONECT 22 21 23 CONECT 23 22 24 34 CONECT 24 23 25 32 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 32 CONECT 31 30 CONECT 32 30 24 33 CONECT 33 32 CONECT 34 23 CONECT 35 21 36 37 59 CONECT 36 35 CONECT 37 35 38 CONECT 38 37 39 52 CONECT 39 38 40 47 51 CONECT 40 39 41 45 46 CONECT 41 40 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 CONECT 45 40 CONECT 46 40 CONECT 47 39 48 49 50 CONECT 48 47 CONECT 49 47 CONECT 50 47 CONECT 51 39 CONECT 52 38 CONECT 53 21 CONECT 54 20 CONECT 55 9 56 107 111 CONECT 56 55 57 105 106 CONECT 57 56 58 87 104 CONECT 58 57 59 79 86 CONECT 59 58 9 35 60 CONECT 60 59 61 77 78 CONECT 61 60 62 CONECT 62 61 63 76 CONECT 63 62 64 71 75 CONECT 64 63 65 69 70 CONECT 65 64 66 67 68 CONECT 66 65 CONECT 67 65 CONECT 68 65 CONECT 69 64 CONECT 70 64 CONECT 71 63 72 73 74 CONECT 72 71 CONECT 73 71 CONECT 74 71 CONECT 75 63 CONECT 76 62 CONECT 77 60 CONECT 78 60 CONECT 79 58 80 CONECT 80 79 81 85 CONECT 81 80 82 83 84 CONECT 82 81 CONECT 83 81 CONECT 84 81 CONECT 85 80 CONECT 86 58 CONECT 87 57 88 CONECT 88 87 89 103 CONECT 89 88 90 94 CONECT 90 89 91 92 CONECT 91 90 CONECT 92 90 93 101 CONECT 93 92 CONECT 94 89 95 96 CONECT 95 94 CONECT 96 94 97 101 CONECT 97 96 98 99 100 CONECT 98 97 CONECT 99 97 CONECT 100 97 CONECT 101 96 92 102 CONECT 102 101 CONECT 103 88 CONECT 104 57 CONECT 105 56 CONECT 106 56 CONECT 107 55 108 109 110 CONECT 108 107 CONECT 109 107 CONECT 110 107 CONECT 111 55 CONECT 112 8 MASTER 0 0 0 0 0 0 0 0 112 0 232 0 END