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 -8.227 0.152 -0.129 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.763 0.396 -0.404 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.108 1.022 0.819 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.271 0.058 1.966 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.664 0.545 3.258 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.179 0.786 3.107 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.457 -0.481 2.697 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.001 -0.251 2.541 0.00 0.00 C+0 HETATM 9 O UNK 0 -1.585 0.929 2.817 0.00 0.00 O+0 HETATM 10 N UNK 0 -1.115 -1.258 2.116 0.00 0.00 N+0 HETATM 11 C UNK 0 0.356 -1.012 1.962 0.00 0.00 C+0 HETATM 12 C UNK 0 0.933 -1.986 2.959 0.00 0.00 C+0 HETATM 13 C UNK 0 0.360 -1.579 4.296 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.803 -2.090 4.786 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.311 -1.700 6.010 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.586 -0.774 6.706 0.00 0.00 C+0 HETATM 17 O UNK 0 -1.022 -0.324 7.948 0.00 0.00 O+0 HETATM 18 C UNK 0 0.586 -0.244 6.237 0.00 0.00 C+0 HETATM 19 C UNK 0 1.091 -0.642 5.003 0.00 0.00 C+0 HETATM 20 C UNK 0 0.707 -1.246 0.569 0.00 0.00 C+0 HETATM 21 O UNK 0 -0.268 -1.801 -0.115 0.00 0.00 O+0 HETATM 22 N UNK 0 1.894 -0.976 -0.155 0.00 0.00 N+0 HETATM 23 C UNK 0 2.095 -1.366 -1.537 0.00 0.00 C+0 HETATM 24 C UNK 0 1.328 -2.572 -1.946 0.00 0.00 C+0 HETATM 25 O UNK 0 1.087 -3.528 -1.185 0.00 0.00 O+0 HETATM 26 N UNK 0 0.846 -2.628 -3.276 0.00 0.00 N+0 HETATM 27 C UNK 0 0.081 -3.714 -3.844 0.00 0.00 C+0 HETATM 28 C UNK 0 0.728 -4.505 -4.906 0.00 0.00 C+0 HETATM 29 O UNK 0 1.158 -3.888 -6.034 0.00 0.00 O+0 HETATM 30 C UNK 0 -1.351 -3.401 -3.924 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.862 -2.243 -4.659 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.604 -2.124 -6.121 0.00 0.00 C+0 HETATM 33 N UNK 0 -2.289 -0.893 -6.594 0.00 0.00 N+0 HETATM 34 C UNK 0 -1.645 0.111 -7.064 0.00 0.00 C+0 HETATM 35 N UNK 0 -2.348 1.258 -7.499 0.00 0.00 N+0 HETATM 36 N UNK 0 -0.237 0.056 -7.138 0.00 0.00 N+0 HETATM 37 C UNK 0 3.557 -1.596 -1.660 0.00 0.00 C+0 HETATM 38 C UNK 0 4.155 -0.639 -0.682 0.00 0.00 C+0 HETATM 39 C UNK 0 5.305 -1.266 0.083 0.00 0.00 C+0 HETATM 40 C UNK 0 5.868 -0.271 1.040 0.00 0.00 C+0 HETATM 41 C UNK 0 4.793 0.610 1.653 0.00 0.00 C+0 HETATM 42 O UNK 0 4.564 1.652 0.785 0.00 0.00 O+0 HETATM 43 C UNK 0 4.619 2.909 1.345 0.00 0.00 C+0 HETATM 44 O UNK 0 5.576 3.655 0.660 0.00 0.00 O+0 HETATM 45 C UNK 0 4.992 4.217 -0.443 0.00 0.00 C+0 HETATM 46 C UNK 0 5.493 3.621 -1.744 0.00 0.00 C+0 HETATM 47 O UNK 0 6.870 3.803 -1.880 0.00 0.00 O+0 HETATM 48 C UNK 0 3.511 4.140 -0.303 0.00 0.00 C+0 HETATM 49 O UNK 0 2.888 5.378 -0.513 0.00 0.00 O+0 HETATM 50 C UNK 0 3.355 3.711 1.142 0.00 0.00 C+0 HETATM 51 O UNK 0 3.399 4.815 1.962 0.00 0.00 O+0 HETATM 52 C UNK 0 3.523 -0.274 1.619 0.00 0.00 C+0 HETATM 53 C UNK 0 3.016 -0.201 0.224 0.00 0.00 C+0 HETATM 54 H UNK 0 -8.562 0.802 0.688 0.00 0.00 H+0 HETATM 55 H UNK 0 -8.800 0.352 -1.065 0.00 0.00 H+0 HETATM 56 H UNK 0 -8.323 -0.940 0.113 0.00 0.00 H+0 HETATM 57 H UNK 0 -6.234 -0.545 -0.677 0.00 0.00 H+0 HETATM 58 H UNK 0 -6.633 1.086 -1.252 0.00 0.00 H+0 HETATM 59 H UNK 0 -6.677 1.935 1.072 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.073 1.290 0.590 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.942 -0.970 1.716 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.381 -0.010 2.148 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.112 1.529 3.515 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.897 -0.175 4.045 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.716 1.097 4.067 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.037 1.564 2.335 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.684 -1.323 3.376 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.843 -0.747 1.691 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.432 -2.212 1.887 0.00 0.00 H+0 HETATM 70 H UNK 0 0.506 0.008 2.321 0.00 0.00 H+0 HETATM 71 H UNK 0 1.987 -2.040 3.081 0.00 0.00 H+0 HETATM 72 H UNK 0 0.564 -3.003 2.687 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.339 -2.828 4.191 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.227 -2.118 6.371 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.636 0.485 8.056 0.00 0.00 H+0 HETATM 76 H UNK 0 1.153 0.489 6.793 0.00 0.00 H+0 HETATM 77 H UNK 0 2.007 -0.225 4.641 0.00 0.00 H+0 HETATM 78 H UNK 0 1.819 -0.483 -2.183 0.00 0.00 H+0 HETATM 79 H UNK 0 1.065 -1.808 -3.904 0.00 0.00 H+0 HETATM 80 H UNK 0 0.111 -4.486 -2.930 0.00 0.00 H+0 HETATM 81 H UNK 0 0.025 -5.352 -5.188 0.00 0.00 H+0 HETATM 82 H UNK 0 1.615 -5.066 -4.486 0.00 0.00 H+0 HETATM 83 H UNK 0 2.112 -3.732 -6.109 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.797 -3.432 -2.868 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.853 -4.321 -4.391 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.001 -2.281 -4.565 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.629 -1.255 -4.178 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.532 -1.980 -6.389 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.994 -2.948 -6.744 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.656 1.387 -8.506 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.612 2.052 -6.863 0.00 0.00 H+0 HETATM 92 H UNK 0 0.306 0.064 -6.250 0.00 0.00 H+0 HETATM 93 H UNK 0 0.302 0.007 -8.026 0.00 0.00 H+0 HETATM 94 H UNK 0 3.815 -2.622 -1.290 0.00 0.00 H+0 HETATM 95 H UNK 0 3.942 -1.440 -2.695 0.00 0.00 H+0 HETATM 96 H UNK 0 4.602 0.252 -1.194 0.00 0.00 H+0 HETATM 97 H UNK 0 5.085 -2.253 0.501 0.00 0.00 H+0 HETATM 98 H UNK 0 6.098 -1.448 -0.696 0.00 0.00 H+0 HETATM 99 H UNK 0 6.645 0.394 0.613 0.00 0.00 H+0 HETATM 100 H UNK 0 6.370 -0.774 1.913 0.00 0.00 H+0 HETATM 101 H UNK 0 4.996 0.900 2.689 0.00 0.00 H+0 HETATM 102 H UNK 0 4.836 2.874 2.416 0.00 0.00 H+0 HETATM 103 H UNK 0 5.293 5.305 -0.462 0.00 0.00 H+0 HETATM 104 H UNK 0 5.007 4.109 -2.607 0.00 0.00 H+0 HETATM 105 H UNK 0 5.233 2.531 -1.770 0.00 0.00 H+0 HETATM 106 H UNK 0 7.147 3.305 -2.691 0.00 0.00 H+0 HETATM 107 H UNK 0 3.085 3.429 -1.015 0.00 0.00 H+0 HETATM 108 H UNK 0 1.910 5.274 -0.613 0.00 0.00 H+0 HETATM 109 H UNK 0 2.434 3.148 1.331 0.00 0.00 H+0 HETATM 110 H UNK 0 3.914 5.525 1.490 0.00 0.00 H+0 HETATM 111 H UNK 0 2.792 0.097 2.325 0.00 0.00 H+0 HETATM 112 H UNK 0 3.840 -1.336 1.804 0.00 0.00 H+0 HETATM 113 H UNK 0 2.825 0.900 -0.058 0.00 0.00 H+0 CONECT 1 2 54 55 56 CONECT 2 1 3 57 58 CONECT 3 2 4 59 60 CONECT 4 3 5 61 62 CONECT 5 4 6 63 64 CONECT 6 5 7 65 66 CONECT 7 6 8 67 68 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 69 CONECT 11 10 12 20 70 CONECT 12 11 13 71 72 CONECT 13 12 14 19 CONECT 14 13 15 73 CONECT 15 14 16 74 CONECT 16 15 17 18 CONECT 17 16 75 CONECT 18 16 19 76 CONECT 19 18 13 77 CONECT 20 11 21 22 CONECT 21 20 CONECT 22 20 23 53 CONECT 23 22 24 37 78 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 79 CONECT 27 26 28 30 80 CONECT 28 27 29 81 82 CONECT 29 28 83 CONECT 30 27 31 84 85 CONECT 31 30 32 86 87 CONECT 32 31 33 88 89 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 90 91 CONECT 36 34 92 93 CONECT 37 23 38 94 95 CONECT 38 37 39 53 96 CONECT 39 38 40 97 98 CONECT 40 39 41 99 100 CONECT 41 40 42 52 101 CONECT 42 41 43 CONECT 43 42 44 50 102 CONECT 44 43 45 CONECT 45 44 46 48 103 CONECT 46 45 47 104 105 CONECT 47 46 106 CONECT 48 45 49 50 107 CONECT 49 48 108 CONECT 50 48 51 43 109 CONECT 51 50 110 CONECT 52 41 53 111 112 CONECT 53 52 22 38 113 CONECT 54 1 CONECT 55 1 CONECT 56 1 CONECT 57 2 CONECT 58 2 CONECT 59 3 CONECT 60 3 CONECT 61 4 CONECT 62 4 CONECT 63 5 CONECT 64 5 CONECT 65 6 CONECT 66 6 CONECT 67 7 CONECT 68 7 CONECT 69 10 CONECT 70 11 CONECT 71 12 CONECT 72 12 CONECT 73 14 CONECT 74 15 CONECT 75 17 CONECT 76 18 CONECT 77 19 CONECT 78 23 CONECT 79 26 CONECT 80 27 CONECT 81 28 CONECT 82 28 CONECT 83 29 CONECT 84 30 CONECT 85 30 CONECT 86 31 CONECT 87 31 CONECT 88 32 CONECT 89 32 CONECT 90 35 CONECT 91 35 CONECT 92 36 CONECT 93 36 CONECT 94 37 CONECT 95 37 CONECT 96 38 CONECT 97 39 CONECT 98 39 CONECT 99 40 CONECT 100 40 CONECT 101 41 CONECT 102 43 CONECT 103 45 CONECT 104 46 CONECT 105 46 CONECT 106 47 CONECT 107 48 CONECT 108 49 CONECT 109 50 CONECT 110 51 CONECT 111 52 CONECT 112 52 CONECT 113 53 MASTER 0 0 0 0 0 0 0 0 113 0 232 0 END