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 -7.316 -10.910 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.782 -11.046 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.897 -9.785 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.547 -8.389 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -7.081 -8.253 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -7.965 -9.514 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -9.499 -9.378 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.662 -7.128 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -5.311 -5.732 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.845 -5.596 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -7.495 -4.200 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -6.610 -2.939 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 -5.076 -3.075 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -4.427 -4.471 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 -2.893 -4.607 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -2.008 -3.347 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.457 -3.520 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 0.374 -2.193 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.224 -0.755 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.781 -0.675 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.705 -1.932 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -4.228 -1.459 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -5.371 -0.333 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.258 0.750 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.538 2.266 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.010 2.806 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.177 1.739 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.863 0.191 0.000 0.00 0.00 C+0 HETATM 29 Cl UNK 0 -8.024 -0.820 0.000 0.00 0.00 Cl+0 HETATM 30 C UNK 0 -5.534 4.356 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.401 5.460 0.000 0.00 0.00 C+0 HETATM 32 N UNK 0 -5.227 6.759 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 -6.766 6.693 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -7.478 5.328 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 -7.592 7.992 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -9.131 7.926 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -9.957 9.226 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -11.496 9.160 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -9.245 10.591 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 -6.880 9.358 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 -7.706 10.657 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.941 6.010 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.130 7.539 0.000 0.00 0.00 O+0 HETATM 44 N UNK 0 -1.387 5.831 0.000 0.00 0.00 N+0 HETATM 45 C UNK 0 -0.029 5.064 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 0.656 3.655 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 2.174 3.918 0.000 0.00 0.00 O+0 HETATM 48 N UNK 0 0.483 2.084 0.000 0.00 0.00 N+0 HETATM 49 C UNK 0 0.717 0.530 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 2.276 0.735 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 2.708 -0.743 0.000 0.00 0.00 O+0 HETATM 52 N UNK 0 3.690 1.398 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 5.217 1.021 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 5.377 -0.548 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 3.953 -1.136 0.000 0.00 0.00 O+0 HETATM 56 N UNK 0 6.367 -1.767 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 7.076 -3.184 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 6.523 -4.672 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.156 -5.493 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 4.339 -6.833 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 2.766 -6.830 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 2.000 -5.458 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 0.551 -4.767 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 2.811 -4.116 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 4.349 -4.163 0.000 0.00 0.00 C+0 HETATM 66 Cl UNK 0 1.985 -8.158 0.000 0.00 0.00 Cl+0 HETATM 67 O UNK 0 7.708 -5.656 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 7.448 -7.174 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 6.004 -7.708 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 5.745 -9.226 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 6.930 -10.210 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 8.374 -9.675 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 8.633 -8.157 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 8.958 -11.100 0.000 0.00 0.00 C+0 HETATM 75 N UNK 0 9.882 -9.988 0.000 0.00 0.00 N+0 HETATM 76 O UNK 0 6.670 -11.728 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 4.300 -9.760 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 8.613 -3.506 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 8.872 -5.024 0.000 0.00 0.00 O+0 HETATM 80 N UNK 0 9.940 -2.704 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 10.106 -1.165 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 10.992 0.110 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 10.542 1.583 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 9.169 2.383 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 7.889 1.486 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 6.433 2.060 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 6.304 3.622 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 7.543 4.557 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 8.965 3.934 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 10.196 4.859 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 11.592 2.709 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 13.093 2.363 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 13.543 0.890 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 12.492 -0.236 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 15.043 0.543 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 11.142 4.182 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 11.549 -1.703 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 12.737 -0.723 0.000 0.00 0.00 O+0 HETATM 99 O UNK 0 11.804 -3.222 0.000 0.00 0.00 O+0 HETATM 100 C UNK 0 1.092 6.120 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 0.739 7.619 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 -0.735 8.062 0.000 0.00 0.00 O+0 HETATM 103 N UNK 0 1.861 8.674 0.000 0.00 0.00 N+0 HETATM 104 O UNK 0 -6.848 5.159 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 -7.259 -1.543 0.000 0.00 0.00 C+0 HETATM 106 O UNK 0 -8.793 -1.407 0.000 0.00 0.00 O+0 HETATM 107 O UNK 0 -9.029 -4.064 0.000 0.00 0.00 O+0 HETATM 108 O UNK 0 -7.730 -6.857 0.000 0.00 0.00 O+0 HETATM 109 C UNK 0 -4.553 -11.974 0.000 0.00 0.00 C+0 HETATM 110 N UNK 0 -5.864 -12.584 0.000 0.00 0.00 N+0 HETATM 111 O UNK 0 -8.200 -12.171 0.000 0.00 0.00 O+0 CONECT 1 2 6 111 CONECT 2 1 3 109 110 CONECT 3 2 4 CONECT 4 3 5 8 CONECT 5 4 6 CONECT 6 5 1 7 CONECT 7 6 CONECT 8 4 9 CONECT 9 8 10 14 CONECT 10 9 11 108 CONECT 11 10 12 107 CONECT 12 11 13 105 CONECT 13 12 14 CONECT 14 13 9 15 CONECT 15 14 16 CONECT 16 15 17 21 CONECT 17 16 18 63 CONECT 18 17 19 CONECT 19 18 20 49 CONECT 20 19 21 CONECT 21 20 16 22 CONECT 22 21 23 CONECT 23 22 24 28 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 30 CONECT 27 26 28 CONECT 28 27 23 29 CONECT 29 28 CONECT 30 26 31 104 CONECT 31 30 32 42 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 40 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 CONECT 40 35 41 CONECT 41 40 CONECT 42 31 43 44 CONECT 43 42 CONECT 44 42 45 CONECT 45 44 46 100 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 CONECT 49 48 19 50 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 CONECT 53 52 54 86 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 CONECT 57 56 58 78 CONECT 58 57 59 67 CONECT 59 58 60 65 CONECT 60 59 61 CONECT 61 60 62 66 CONECT 62 61 63 64 CONECT 63 62 17 CONECT 64 62 65 CONECT 65 64 59 CONECT 66 61 CONECT 67 58 68 CONECT 68 67 69 73 CONECT 69 68 70 CONECT 70 69 71 77 CONECT 71 70 72 76 CONECT 72 71 73 74 75 CONECT 73 72 68 CONECT 74 72 CONECT 75 72 CONECT 76 71 CONECT 77 70 CONECT 78 57 79 80 CONECT 79 78 CONECT 80 78 81 CONECT 81 80 82 97 CONECT 82 81 83 94 CONECT 83 82 84 91 CONECT 84 83 85 89 CONECT 85 84 86 CONECT 86 85 53 87 CONECT 87 86 88 CONECT 88 87 89 CONECT 89 88 84 90 CONECT 90 89 CONECT 91 83 92 96 CONECT 92 91 93 CONECT 93 92 94 95 CONECT 94 93 82 CONECT 95 93 CONECT 96 91 CONECT 97 81 98 99 CONECT 98 97 CONECT 99 97 CONECT 100 45 101 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 CONECT 104 30 CONECT 105 12 106 CONECT 106 105 CONECT 107 11 CONECT 108 10 CONECT 109 2 CONECT 110 2 CONECT 111 1 MASTER 0 0 0 0 0 0 0 0 111 0 242 0 END