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 -0.455 6.621 -1.738 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.011 5.674 -0.820 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.156 4.422 -1.411 0.00 0.00 C+0 HETATM 4 C UNK 0 0.305 3.300 -0.487 0.00 0.00 C+0 HETATM 5 N UNK 0 -0.514 3.373 0.705 0.00 0.00 N+0 HETATM 6 C UNK 0 -1.522 2.495 1.097 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.502 2.045 2.295 0.00 0.00 O+0 HETATM 8 C UNK 0 -2.649 2.014 0.243 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.664 3.137 0.026 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.033 3.640 1.398 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.689 2.512 2.145 0.00 0.00 C+0 HETATM 12 N UNK 0 -3.869 1.317 2.193 0.00 0.00 N+0 HETATM 13 N UNK 0 -3.396 0.963 0.900 0.00 0.00 N+0 HETATM 14 C UNK 0 -3.685 -0.306 0.408 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.636 -0.951 0.976 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.014 -1.009 -0.711 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.016 -1.243 -1.860 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.577 0.030 -2.395 0.00 0.00 C+0 HETATM 19 C UNK 0 -3.347 -1.982 -2.995 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.153 -2.133 -1.357 0.00 0.00 C+0 HETATM 21 O UNK 0 -2.585 -2.271 -0.323 0.00 0.00 O+0 HETATM 22 C UNK 0 -1.393 -2.746 0.079 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.760 -3.624 -0.563 0.00 0.00 O+0 HETATM 24 C UNK 0 -0.748 -2.256 1.322 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.543 -2.916 2.461 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.542 -4.416 2.446 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.112 -2.349 3.830 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.526 -2.164 3.242 0.00 0.00 C+0 HETATM 29 N UNK 0 0.622 -2.683 1.464 0.00 0.00 N+0 HETATM 30 C UNK 0 1.603 -2.793 0.475 0.00 0.00 C+0 HETATM 31 O UNK 0 2.238 -3.905 0.390 0.00 0.00 O+0 HETATM 32 C UNK 0 1.996 -1.745 -0.505 0.00 0.00 C+0 HETATM 33 C UNK 0 2.321 -2.476 -1.817 0.00 0.00 C+0 HETATM 34 C UNK 0 3.740 -2.891 -1.618 0.00 0.00 C+0 HETATM 35 O UNK 0 3.917 -4.269 -1.618 0.00 0.00 O+0 HETATM 36 C UNK 0 4.588 -2.325 -2.695 0.00 0.00 C+0 HETATM 37 C UNK 0 4.439 -2.372 -4.087 0.00 0.00 C+0 HETATM 38 C UNK 0 5.404 -1.747 -4.830 0.00 0.00 C+0 HETATM 39 C UNK 0 6.492 -1.086 -4.308 0.00 0.00 C+0 HETATM 40 Cl UNK 0 7.686 -0.309 -5.334 0.00 0.00 Cl+0 HETATM 41 C UNK 0 6.619 -1.052 -2.937 0.00 0.00 C+0 HETATM 42 Cl UNK 0 7.977 -0.230 -2.195 0.00 0.00 Cl+0 HETATM 43 C UNK 0 5.655 -1.678 -2.137 0.00 0.00 C+0 HETATM 44 N UNK 0 5.561 -1.779 -0.711 0.00 0.00 N+0 HETATM 45 C UNK 0 4.248 -2.229 -0.380 0.00 0.00 C+0 HETATM 46 N UNK 0 3.283 -1.169 -0.197 0.00 0.00 N+0 HETATM 47 C UNK 0 3.458 0.174 0.195 0.00 0.00 C+0 HETATM 48 O UNK 0 4.633 0.687 0.277 0.00 0.00 O+0 HETATM 49 C UNK 0 2.377 1.127 0.548 0.00 0.00 C+0 HETATM 50 C UNK 0 2.502 1.355 2.062 0.00 0.00 C+0 HETATM 51 O UNK 0 3.817 1.766 2.279 0.00 0.00 O+0 HETATM 52 C UNK 0 2.173 0.097 2.821 0.00 0.00 C+0 HETATM 53 C UNK 0 2.317 0.396 4.268 0.00 0.00 C+0 HETATM 54 O UNK 0 2.116 -0.467 5.169 0.00 0.00 O+0 HETATM 55 O UNK 0 2.690 1.673 4.721 0.00 0.00 O+0 HETATM 56 N UNK 0 2.678 2.406 -0.057 0.00 0.00 N+0 HETATM 57 C UNK 0 1.757 3.481 -0.145 0.00 0.00 C+0 HETATM 58 O UNK 0 2.134 4.663 0.067 0.00 0.00 O+0 HETATM 59 H UNK 0 -0.370 7.657 -1.334 0.00 0.00 H+0 HETATM 60 H UNK 0 0.098 6.566 -2.705 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.527 6.486 -2.005 0.00 0.00 H+0 HETATM 62 H UNK 0 0.452 4.445 -2.339 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.202 4.291 -1.678 0.00 0.00 H+0 HETATM 64 H UNK 0 0.122 2.358 -1.030 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.302 4.200 1.341 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.240 1.753 -0.728 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.331 3.910 -0.655 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.566 2.669 -0.403 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.123 4.017 1.893 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.759 4.449 1.270 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.850 2.818 3.200 0.00 0.00 H+0 HETATM 72 H UNK 0 -5.677 2.312 1.695 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.465 0.551 2.578 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.240 -0.348 -1.145 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.858 0.610 -2.980 0.00 0.00 H+0 HETATM 76 H UNK 0 -5.048 0.671 -1.628 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.426 -0.272 -3.076 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.805 -2.883 -2.647 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.727 -1.308 -3.613 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.167 -2.334 -3.664 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.952 -1.518 -0.892 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.734 -2.894 -0.656 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.524 -2.689 -2.242 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.891 -1.168 1.356 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.524 -4.840 2.537 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.129 -4.767 3.332 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.038 -4.835 1.547 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.060 -3.030 4.689 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.507 -1.427 3.852 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.336 -2.772 3.733 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.833 -1.140 3.040 0.00 0.00 H+0 HETATM 92 H UNK 0 0.934 -2.952 2.450 0.00 0.00 H+0 HETATM 93 H UNK 0 1.222 -0.995 -0.654 0.00 0.00 H+0 HETATM 94 H UNK 0 2.213 -1.718 -2.631 0.00 0.00 H+0 HETATM 95 H UNK 0 1.613 -3.299 -1.916 0.00 0.00 H+0 HETATM 96 H UNK 0 3.350 -4.643 -2.324 0.00 0.00 H+0 HETATM 97 H UNK 0 3.591 -2.887 -4.503 0.00 0.00 H+0 HETATM 98 H UNK 0 5.325 -1.761 -5.920 0.00 0.00 H+0 HETATM 99 H UNK 0 6.361 -1.544 -0.089 0.00 0.00 H+0 HETATM 100 H UNK 0 4.335 -2.893 0.500 0.00 0.00 H+0 HETATM 101 H UNK 0 1.360 0.771 0.295 0.00 0.00 H+0 HETATM 102 H UNK 0 1.842 2.185 2.325 0.00 0.00 H+0 HETATM 103 H UNK 0 3.910 2.738 2.130 0.00 0.00 H+0 HETATM 104 H UNK 0 2.845 -0.718 2.497 0.00 0.00 H+0 HETATM 105 H UNK 0 1.100 -0.134 2.616 0.00 0.00 H+0 HETATM 106 H UNK 0 3.659 1.963 4.761 0.00 0.00 H+0 HETATM 107 H UNK 0 3.628 2.551 -0.452 0.00 0.00 H+0 CONECT 1 2 59 60 61 CONECT 2 1 3 CONECT 3 2 4 62 63 CONECT 4 3 5 57 64 CONECT 5 4 6 65 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 13 66 CONECT 9 8 10 67 68 CONECT 10 9 11 69 70 CONECT 11 10 12 71 72 CONECT 12 11 13 73 CONECT 13 12 14 8 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 21 74 CONECT 17 16 18 19 20 CONECT 18 17 75 76 77 CONECT 19 17 78 79 80 CONECT 20 17 81 82 83 CONECT 21 16 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 29 84 CONECT 25 24 26 27 28 CONECT 26 25 85 86 87 CONECT 27 25 28 88 89 CONECT 28 27 25 90 91 CONECT 29 24 30 92 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 46 93 CONECT 33 32 34 94 95 CONECT 34 33 35 36 45 CONECT 35 34 96 CONECT 36 34 37 43 CONECT 37 36 38 97 CONECT 38 37 39 98 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 36 CONECT 44 43 45 99 CONECT 45 44 46 34 100 CONECT 46 45 47 32 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 56 101 CONECT 50 49 51 52 102 CONECT 51 50 103 CONECT 52 50 53 104 105 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 106 CONECT 56 49 57 107 CONECT 57 56 58 4 CONECT 58 57 CONECT 59 1 CONECT 60 1 CONECT 61 1 CONECT 62 3 CONECT 63 3 CONECT 64 4 CONECT 65 5 CONECT 66 8 CONECT 67 9 CONECT 68 9 CONECT 69 10 CONECT 70 10 CONECT 71 11 CONECT 72 11 CONECT 73 12 CONECT 74 16 CONECT 75 18 CONECT 76 18 CONECT 77 18 CONECT 78 19 CONECT 79 19 CONECT 80 19 CONECT 81 20 CONECT 82 20 CONECT 83 20 CONECT 84 24 CONECT 85 26 CONECT 86 26 CONECT 87 26 CONECT 88 27 CONECT 89 27 CONECT 90 28 CONECT 91 28 CONECT 92 29 CONECT 93 32 CONECT 94 33 CONECT 95 33 CONECT 96 35 CONECT 97 37 CONECT 98 38 CONECT 99 44 CONECT 100 45 CONECT 101 49 CONECT 102 50 CONECT 103 51 CONECT 104 52 CONECT 105 52 CONECT 106 55 CONECT 107 56 MASTER 0 0 0 0 0 0 0 0 107 0 224 0 END