HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -2.605 -0.833 2.277 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.004 -1.503 0.568 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.200 -0.808 0.617 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.089 -0.947 -0.454 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.373 -0.275 -0.498 0.00 0.00 C+0 HETATM 6 O UNK 0 -6.784 0.263 -1.680 0.00 0.00 O+0 HETATM 7 C UNK 0 -7.849 1.125 -1.422 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.230 2.518 -1.374 0.00 0.00 C+0 HETATM 9 C UNK 0 -8.204 3.579 -1.121 0.00 0.00 C+0 HETATM 10 O UNK 0 -9.408 3.450 -0.936 0.00 0.00 O+0 HETATM 11 O UNK 0 -7.666 4.882 -1.089 0.00 0.00 O+0 HETATM 12 C UNK 0 -8.554 0.898 -0.126 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.624 -0.534 0.303 0.00 0.00 C+0 HETATM 14 O UNK 0 -8.629 -0.557 1.720 0.00 0.00 O+0 HETATM 15 C UNK 0 -9.953 -1.188 -0.083 0.00 0.00 C+0 HETATM 16 Cl UNK 0 -11.256 -0.276 0.739 0.00 0.00 Cl+0 HETATM 17 C UNK 0 -7.443 -1.338 -0.146 0.00 0.00 C+0 HETATM 18 O UNK 0 -6.894 -2.182 0.772 0.00 0.00 O+0 HETATM 19 C UNK 0 -1.965 -2.100 0.536 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.771 -2.437 1.205 0.00 0.00 C+0 HETATM 21 C UNK 0 0.493 -1.704 0.990 0.00 0.00 C+0 HETATM 22 O UNK 0 0.901 -1.633 -0.293 0.00 0.00 O+0 HETATM 23 C UNK 0 2.052 -0.862 -0.432 0.00 0.00 C+0 HETATM 24 C UNK 0 2.869 -1.410 -1.624 0.00 0.00 C+0 HETATM 25 C UNK 0 2.816 -0.706 0.796 0.00 0.00 C+0 HETATM 26 N UNK 0 4.271 -0.402 0.462 0.00 0.00 N+0 HETATM 27 C UNK 0 5.145 -0.056 1.460 0.00 0.00 C+0 HETATM 28 O UNK 0 4.521 -0.067 2.697 0.00 0.00 O+0 HETATM 29 C UNK 0 6.476 0.323 1.658 0.00 0.00 C+0 HETATM 30 C UNK 0 7.400 0.597 0.807 0.00 0.00 C+0 HETATM 31 C UNK 0 7.186 0.574 -0.661 0.00 0.00 C+0 HETATM 32 C UNK 0 7.745 -0.673 -1.266 0.00 0.00 C+0 HETATM 33 O UNK 0 8.095 1.662 -1.076 0.00 0.00 O+0 HETATM 34 C UNK 0 7.543 2.823 -1.688 0.00 0.00 C+0 HETATM 35 O UNK 0 6.366 2.881 -1.892 0.00 0.00 O+0 HETATM 36 C UNK 0 8.582 3.877 -2.001 0.00 0.00 C+0 HETATM 37 C UNK 0 9.441 3.442 -3.133 0.00 0.00 C+0 HETATM 38 C UNK 0 9.489 3.950 -0.746 0.00 0.00 C+0 HETATM 39 C UNK 0 2.864 -1.979 1.636 0.00 0.00 C+0 HETATM 40 C UNK 0 1.574 -2.693 1.656 0.00 0.00 C+0 HETATM 41 C UNK 0 1.592 -3.937 0.814 0.00 0.00 C+0 HETATM 42 H UNK 0 -3.054 -1.628 2.754 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.590 -0.653 2.046 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.172 0.064 2.149 0.00 0.00 H+0 HETATM 45 H UNK 0 -4.618 -0.123 1.327 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.732 -1.583 -1.236 0.00 0.00 H+0 HETATM 47 H UNK 0 -6.476 0.504 0.324 0.00 0.00 H+0 HETATM 48 H UNK 0 -8.599 1.083 -2.267 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.694 2.761 -2.320 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.452 2.570 -0.563 0.00 0.00 H+0 HETATM 51 H UNK 0 -8.285 5.688 -1.240 0.00 0.00 H+0 HETATM 52 H UNK 0 -8.173 1.508 0.735 0.00 0.00 H+0 HETATM 53 H UNK 0 -9.620 1.231 -0.241 0.00 0.00 H+0 HETATM 54 H UNK 0 -8.652 -1.539 1.952 0.00 0.00 H+0 HETATM 55 H UNK 0 -9.962 -2.229 0.237 0.00 0.00 H+0 HETATM 56 H UNK 0 -10.035 -1.033 -1.190 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.643 -1.940 -1.076 0.00 0.00 H+0 HETATM 58 H UNK 0 -6.365 -1.721 1.508 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.966 -2.684 -0.572 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.513 -3.568 1.016 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.978 -2.531 2.336 0.00 0.00 H+0 HETATM 62 H UNK 0 0.663 -0.775 1.522 0.00 0.00 H+0 HETATM 63 H UNK 0 1.705 0.194 -0.749 0.00 0.00 H+0 HETATM 64 H UNK 0 2.136 -1.900 -2.250 0.00 0.00 H+0 HETATM 65 H UNK 0 3.593 -2.142 -1.245 0.00 0.00 H+0 HETATM 66 H UNK 0 3.320 -0.549 -2.118 0.00 0.00 H+0 HETATM 67 H UNK 0 2.499 0.087 1.475 0.00 0.00 H+0 HETATM 68 H UNK 0 4.519 -0.580 -0.532 0.00 0.00 H+0 HETATM 69 H UNK 0 6.813 0.381 2.771 0.00 0.00 H+0 HETATM 70 H UNK 0 8.427 0.866 1.198 0.00 0.00 H+0 HETATM 71 H UNK 0 6.187 0.862 -0.957 0.00 0.00 H+0 HETATM 72 H UNK 0 7.098 -1.093 -2.064 0.00 0.00 H+0 HETATM 73 H UNK 0 7.856 -1.520 -0.523 0.00 0.00 H+0 HETATM 74 H UNK 0 8.773 -0.500 -1.726 0.00 0.00 H+0 HETATM 75 H UNK 0 8.068 4.827 -2.152 0.00 0.00 H+0 HETATM 76 H UNK 0 10.370 2.986 -2.775 0.00 0.00 H+0 HETATM 77 H UNK 0 8.925 2.730 -3.823 0.00 0.00 H+0 HETATM 78 H UNK 0 9.729 4.360 -3.728 0.00 0.00 H+0 HETATM 79 H UNK 0 9.886 2.914 -0.611 0.00 0.00 H+0 HETATM 80 H UNK 0 8.828 4.289 0.071 0.00 0.00 H+0 HETATM 81 H UNK 0 10.306 4.638 -0.984 0.00 0.00 H+0 HETATM 82 H UNK 0 3.136 -1.656 2.690 0.00 0.00 H+0 HETATM 83 H UNK 0 3.676 -2.639 1.312 0.00 0.00 H+0 HETATM 84 H UNK 0 1.199 -2.882 2.632 0.00 0.00 H+0 HETATM 85 H UNK 0 1.114 -3.787 -0.181 0.00 0.00 H+0 HETATM 86 H UNK 0 2.682 -4.200 0.675 0.00 0.00 H+0 HETATM 87 H UNK 0 1.150 -4.830 1.286 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 1 3 19 CONECT 3 2 4 45 CONECT 4 3 5 46 CONECT 5 4 6 17 47 CONECT 6 5 7 CONECT 7 6 8 12 48 CONECT 8 7 9 49 50 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 51 CONECT 12 7 13 52 53 CONECT 13 12 14 15 17 CONECT 14 13 54 CONECT 15 13 16 55 56 CONECT 16 15 CONECT 17 13 18 5 57 CONECT 18 17 58 CONECT 19 2 20 59 CONECT 20 19 21 60 61 CONECT 21 20 22 40 62 CONECT 22 21 23 CONECT 23 22 24 25 63 CONECT 24 23 64 65 66 CONECT 25 23 26 39 67 CONECT 26 25 27 68 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 69 CONECT 30 29 31 70 CONECT 31 30 32 33 71 CONECT 32 31 72 73 74 CONECT 33 31 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 38 75 CONECT 37 36 76 77 78 CONECT 38 36 79 80 81 CONECT 39 25 40 82 83 CONECT 40 39 41 21 84 CONECT 41 40 85 86 87 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 3 CONECT 46 4 CONECT 47 5 CONECT 48 7 CONECT 49 8 CONECT 50 8 CONECT 51 11 CONECT 52 12 CONECT 53 12 CONECT 54 14 CONECT 55 15 CONECT 56 15 CONECT 57 17 CONECT 58 18 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 21 CONECT 63 23 CONECT 64 24 CONECT 65 24 CONECT 66 24 CONECT 67 25 CONECT 68 26 CONECT 69 29 CONECT 70 30 CONECT 71 31 CONECT 72 32 CONECT 73 32 CONECT 74 32 CONECT 75 36 CONECT 76 37 CONECT 77 37 CONECT 78 37 CONECT 79 38 CONECT 80 38 CONECT 81 38 CONECT 82 39 CONECT 83 39 CONECT 84 40 CONECT 85 41 CONECT 86 41 CONECT 87 41 MASTER 0 0 0 0 0 0 0 0 87 0 176 0 END