HEADER PROTEIN 28-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 28-APR-22 0 HETATM 1 C UNK 0 -1.157 -8.884 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.567 -7.400 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -0.282 -6.551 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 0.922 -7.511 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 0.426 -8.969 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 2.607 -7.483 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 3.456 -8.767 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 4.993 -8.675 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 5.682 -7.297 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 5.842 -9.960 0.000 0.00 0.00 C+0 HETATM 11 N UNK 0 7.379 -9.867 0.000 0.00 0.00 N+0 HETATM 12 C UNK 0 8.228 -11.152 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 9.765 -11.059 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 7.540 -12.530 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 6.003 -12.622 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 5.314 -14.000 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 6.163 -15.285 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 3.777 -14.093 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 2.928 -12.808 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 1.391 -12.900 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 0.703 -14.278 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 0.542 -11.615 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 -0.995 -11.708 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -1.844 -10.423 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.379 -10.549 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -2.362 -12.418 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.146 -12.993 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.683 -13.086 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.372 -14.463 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.523 -15.748 0.000 0.00 0.00 O+0 HETATM 31 N UNK 0 -3.909 -14.556 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 3.089 -15.470 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 3.937 -16.755 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 5.475 -16.662 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 6.324 -17.947 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 5.635 -19.325 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 4.098 -19.418 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 3.249 -18.133 0.000 0.00 0.00 C+0 HETATM 39 Br UNK 0 6.484 -20.610 0.000 0.00 0.00 Br+0 HETATM 40 C UNK 0 8.389 -13.815 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 7.700 -15.192 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 9.926 -13.722 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 8.746 -9.157 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 6.531 -8.582 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 8.068 -8.490 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 8.756 -7.112 0.000 0.00 0.00 O+0 HETATM 47 N UNK 0 9.510 -9.030 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 -3.009 -6.859 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 -2.692 -8.769 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 -3.360 -7.381 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 -3.406 -5.842 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 -4.896 -7.265 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 -5.563 -5.877 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 -4.695 -4.605 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 -3.160 -4.721 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 -5.363 -3.218 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 -6.899 -3.102 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 -7.566 -1.714 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 -6.698 -0.442 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 -9.102 -1.599 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 -9.770 -0.211 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 -11.305 -0.095 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -12.173 -1.367 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 -11.973 1.293 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -11.105 2.565 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -11.773 3.952 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -9.569 2.449 0.000 0.00 0.00 C+0 HETATM 68 N UNK 0 -13.509 1.408 0.000 0.00 0.00 N+0 HETATM 69 C UNK 0 -14.176 2.796 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 -13.308 4.068 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 -15.712 2.912 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -16.580 1.639 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -17.448 0.367 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -18.984 0.483 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -17.852 2.507 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -15.308 0.771 0.000 0.00 0.00 C+0 HETATM 77 N UNK 0 -16.380 4.299 0.000 0.00 0.00 N+0 HETATM 78 C UNK 0 -15.512 5.571 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 -13.976 5.456 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 -16.179 6.959 0.000 0.00 0.00 C+0 HETATM 81 N UNK 0 -15.449 8.315 0.000 0.00 0.00 N+0 HETATM 82 C UNK 0 -16.513 9.428 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -17.901 8.761 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -17.695 7.235 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -13.923 8.521 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 -12.981 7.303 0.000 0.00 0.00 O+0 HETATM 87 C UNK 0 -13.339 9.946 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -14.280 11.164 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -13.696 12.589 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -14.637 13.808 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -14.053 15.233 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 -12.527 15.439 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 -11.585 14.220 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 -12.169 12.795 0.000 0.00 0.00 C+0 HETATM 95 Br UNK 0 -11.942 16.863 0.000 0.00 0.00 Br+0 HETATM 96 N UNK 0 -11.812 10.152 0.000 0.00 0.00 N+0 HETATM 97 C UNK 0 -11.228 11.577 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -11.273 13.116 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -9.702 11.783 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 -9.117 13.208 0.000 0.00 0.00 N+0 HETATM 101 C UNK 0 -7.591 13.414 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 -7.007 14.839 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 -8.760 10.564 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -9.970 -2.871 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -9.302 -4.258 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 -10.033 -5.614 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 -8.969 -6.728 0.000 0.00 0.00 C+0 HETATM 108 N UNK 0 -7.581 -6.060 0.000 0.00 0.00 N+0 HETATM 109 C UNK 0 -7.787 -4.534 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 -9.401 -8.206 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 -10.897 -8.570 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 -11.961 -7.457 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 -11.529 -5.979 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 -4.495 -1.946 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 -2.959 -2.061 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 -2.092 -0.789 0.000 0.00 0.00 C+0 HETATM 117 N UNK 0 -0.556 -0.905 0.000 0.00 0.00 N+0 HETATM 118 C UNK 0 0.312 0.367 0.000 0.00 0.00 C+0 HETATM 119 N UNK 0 -0.356 1.755 0.000 0.00 0.00 N+0 HETATM 120 N UNK 0 1.848 0.252 0.000 0.00 0.00 N+0 HETATM 121 C UNK 0 -5.764 -8.537 0.000 0.00 0.00 C+0 HETATM 122 S UNK 0 -7.299 -8.422 0.000 0.00 0.00 S+0 HETATM 123 O UNK 0 -7.184 -6.886 0.000 0.00 0.00 O+0 HETATM 124 O UNK 0 -7.415 -9.957 0.000 0.00 0.00 O+0 HETATM 125 O UNK 0 -8.835 -8.306 0.000 0.00 0.00 O+0 CONECT 1 2 24 49 CONECT 2 1 3 48 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 44 CONECT 11 10 12 43 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 40 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 32 CONECT 19 18 20 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 27 CONECT 23 22 24 26 CONECT 24 23 1 25 CONECT 25 24 CONECT 26 23 CONECT 27 22 28 CONECT 28 27 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 CONECT 32 18 33 CONECT 33 32 34 38 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 39 CONECT 37 36 38 CONECT 38 37 33 CONECT 39 36 CONECT 40 14 41 42 CONECT 41 40 CONECT 42 40 CONECT 43 11 CONECT 44 10 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 CONECT 48 2 CONECT 49 1 50 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 121 CONECT 53 52 54 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 114 CONECT 57 56 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 61 104 CONECT 61 60 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 68 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 CONECT 68 64 69 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 77 CONECT 72 71 73 75 76 CONECT 73 72 74 CONECT 74 73 CONECT 75 72 CONECT 76 72 CONECT 77 71 78 CONECT 78 77 79 80 CONECT 79 78 CONECT 80 78 81 84 CONECT 81 80 82 85 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 80 CONECT 85 81 86 87 CONECT 86 85 CONECT 87 85 88 96 CONECT 88 87 89 CONECT 89 88 90 94 CONECT 90 89 91 CONECT 91 90 92 CONECT 92 91 93 95 CONECT 93 92 94 CONECT 94 93 89 CONECT 95 92 CONECT 96 87 97 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 100 103 CONECT 100 99 101 CONECT 101 100 102 CONECT 102 101 CONECT 103 99 CONECT 104 60 105 CONECT 105 104 106 109 CONECT 106 105 107 113 CONECT 107 106 108 110 CONECT 108 107 109 CONECT 109 108 105 CONECT 110 107 111 CONECT 111 110 112 CONECT 112 111 113 CONECT 113 112 106 CONECT 114 56 115 CONECT 115 114 116 CONECT 116 115 117 CONECT 117 116 118 CONECT 118 117 119 120 CONECT 119 118 CONECT 120 118 CONECT 121 52 122 CONECT 122 121 123 124 125 CONECT 123 122 CONECT 124 122 CONECT 125 122 MASTER 0 0 0 0 0 0 0 0 125 0 260 0 END