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 -1.041 -3.004 -0.710 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.979 -2.210 0.132 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.035 -2.833 0.713 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.914 -1.957 1.533 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.087 -2.686 2.103 0.00 0.00 C+0 HETATM 6 C UNK 0 -6.211 -2.939 1.152 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.670 -1.599 0.617 0.00 0.00 C+0 HETATM 8 O UNK 0 -7.044 -0.816 1.700 0.00 0.00 O+0 HETATM 9 C UNK 0 -5.528 -1.019 -0.170 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.226 -1.923 -1.325 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.346 -0.744 0.723 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.206 -0.163 -0.088 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.147 1.302 0.113 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.964 1.712 1.448 0.00 0.00 O+0 HETATM 15 C UNK 0 -3.244 2.224 -0.802 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.187 3.670 -0.614 0.00 0.00 C+0 HETATM 17 O UNK 0 -3.027 4.293 0.487 0.00 0.00 O+0 HETATM 18 N UNK 0 -3.341 4.281 -1.884 0.00 0.00 N+0 HETATM 19 C UNK 0 -3.035 3.325 -2.932 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.670 3.361 -3.160 0.00 0.00 O+0 HETATM 21 C UNK 0 -3.438 2.050 -2.235 0.00 0.00 C+0 HETATM 22 O UNK 0 -3.859 1.054 -2.866 0.00 0.00 O+0 HETATM 23 C UNK 0 -1.879 -0.779 0.404 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.788 -0.014 -0.191 0.00 0.00 C+0 HETATM 25 C UNK 0 0.620 -0.350 0.116 0.00 0.00 C+0 HETATM 26 O UNK 0 1.388 0.565 -0.603 0.00 0.00 O+0 HETATM 27 C UNK 0 2.667 0.714 -0.154 0.00 0.00 C+0 HETATM 28 C UNK 0 3.372 1.669 -1.108 0.00 0.00 C+0 HETATM 29 C UNK 0 3.811 0.989 -2.361 0.00 0.00 C+0 HETATM 30 C UNK 0 4.295 -0.400 -2.111 0.00 0.00 C+0 HETATM 31 C UNK 0 3.320 -1.446 -2.662 0.00 0.00 C+0 HETATM 32 C UNK 0 4.461 -0.686 -0.665 0.00 0.00 C+0 HETATM 33 C UNK 0 5.645 -0.061 -0.023 0.00 0.00 C+0 HETATM 34 C UNK 0 6.574 0.637 -0.756 0.00 0.00 C+0 HETATM 35 C UNK 0 7.668 1.206 -0.107 0.00 0.00 C+0 HETATM 36 O UNK 0 8.590 1.907 -0.883 0.00 0.00 O+0 HETATM 37 C UNK 0 7.837 1.086 1.254 0.00 0.00 C+0 HETATM 38 C UNK 0 6.883 0.379 1.954 0.00 0.00 C+0 HETATM 39 O UNK 0 7.079 0.270 3.341 0.00 0.00 O+0 HETATM 40 C UNK 0 5.797 -0.192 1.339 0.00 0.00 C+0 HETATM 41 O UNK 0 3.351 -0.435 0.092 0.00 0.00 O+0 HETATM 42 C UNK 0 2.559 1.476 1.172 0.00 0.00 C+0 HETATM 43 C UNK 0 1.856 2.803 0.984 0.00 0.00 C+0 HETATM 44 C UNK 0 1.860 0.580 2.128 0.00 0.00 C+0 HETATM 45 C UNK 0 0.973 -0.460 1.551 0.00 0.00 C+0 HETATM 46 C UNK 0 1.546 -1.842 1.900 0.00 0.00 C+0 HETATM 47 H UNK 0 -1.576 -3.925 -1.115 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.743 -2.473 -1.646 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.189 -3.426 -0.145 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.178 -3.884 0.560 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.366 -1.545 2.433 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.467 -2.091 2.982 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.704 -3.631 2.557 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.945 -3.658 0.378 0.00 0.00 H+0 HETATM 55 H UNK 0 -7.063 -3.338 1.757 0.00 0.00 H+0 HETATM 56 H UNK 0 -7.530 -1.776 -0.043 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.342 -1.356 2.478 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.861 -0.052 -0.574 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.736 -2.866 -1.063 0.00 0.00 H+0 HETATM 60 H UNK 0 -6.229 -2.220 -1.754 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.679 -1.468 -2.149 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.680 0.011 1.468 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.280 -0.368 -1.158 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.617 2.274 1.945 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.627 5.260 -2.030 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.632 3.492 -3.833 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.303 4.221 -2.864 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.911 -0.534 1.497 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.962 1.070 0.065 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.919 -0.024 -1.313 0.00 0.00 H+0 HETATM 71 H UNK 0 0.864 -1.325 -0.356 0.00 0.00 H+0 HETATM 72 H UNK 0 4.172 2.230 -0.577 0.00 0.00 H+0 HETATM 73 H UNK 0 2.598 2.442 -1.372 0.00 0.00 H+0 HETATM 74 H UNK 0 2.905 0.908 -3.023 0.00 0.00 H+0 HETATM 75 H UNK 0 4.527 1.627 -2.902 0.00 0.00 H+0 HETATM 76 H UNK 0 5.245 -0.605 -2.655 0.00 0.00 H+0 HETATM 77 H UNK 0 2.335 -0.944 -2.839 0.00 0.00 H+0 HETATM 78 H UNK 0 3.642 -1.829 -3.652 0.00 0.00 H+0 HETATM 79 H UNK 0 3.240 -2.321 -1.990 0.00 0.00 H+0 HETATM 80 H UNK 0 4.647 -1.800 -0.578 0.00 0.00 H+0 HETATM 81 H UNK 0 6.479 0.758 -1.845 0.00 0.00 H+0 HETATM 82 H UNK 0 8.442 2.911 -1.028 0.00 0.00 H+0 HETATM 83 H UNK 0 8.689 1.527 1.776 0.00 0.00 H+0 HETATM 84 H UNK 0 6.671 0.996 3.918 0.00 0.00 H+0 HETATM 85 H UNK 0 5.084 -0.735 1.947 0.00 0.00 H+0 HETATM 86 H UNK 0 3.611 1.707 1.469 0.00 0.00 H+0 HETATM 87 H UNK 0 1.231 2.846 0.087 0.00 0.00 H+0 HETATM 88 H UNK 0 2.581 3.645 0.959 0.00 0.00 H+0 HETATM 89 H UNK 0 1.245 2.953 1.921 0.00 0.00 H+0 HETATM 90 H UNK 0 2.664 0.111 2.772 0.00 0.00 H+0 HETATM 91 H UNK 0 1.328 1.256 2.864 0.00 0.00 H+0 HETATM 92 H UNK 0 0.007 -0.409 2.136 0.00 0.00 H+0 HETATM 93 H UNK 0 2.486 -1.743 2.491 0.00 0.00 H+0 HETATM 94 H UNK 0 1.700 -2.448 0.972 0.00 0.00 H+0 HETATM 95 H UNK 0 0.858 -2.444 2.528 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 1 3 23 CONECT 3 2 4 50 CONECT 4 3 5 11 51 CONECT 5 4 6 52 53 CONECT 6 5 7 54 55 CONECT 7 6 8 9 56 CONECT 8 7 57 CONECT 9 7 10 11 58 CONECT 10 9 59 60 61 CONECT 11 9 12 4 62 CONECT 12 11 13 23 63 CONECT 13 12 14 15 CONECT 14 13 64 CONECT 15 13 16 21 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 65 CONECT 19 18 20 21 66 CONECT 20 19 67 CONECT 21 19 22 15 CONECT 22 21 CONECT 23 12 24 2 68 CONECT 24 23 25 69 70 CONECT 25 24 26 45 71 CONECT 26 25 27 CONECT 27 26 28 42 41 CONECT 28 27 29 72 73 CONECT 29 28 30 74 75 CONECT 30 29 31 32 76 CONECT 31 30 77 78 79 CONECT 32 30 33 41 80 CONECT 33 32 34 40 CONECT 34 33 35 81 CONECT 35 34 36 37 CONECT 36 35 82 CONECT 37 35 38 83 CONECT 38 37 39 40 CONECT 39 38 84 CONECT 40 38 33 85 CONECT 41 32 27 CONECT 42 27 43 44 86 CONECT 43 42 87 88 89 CONECT 44 42 45 90 91 CONECT 45 44 46 25 92 CONECT 46 45 93 94 95 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 3 CONECT 51 4 CONECT 52 5 CONECT 53 5 CONECT 54 6 CONECT 55 6 CONECT 56 7 CONECT 57 8 CONECT 58 9 CONECT 59 10 CONECT 60 10 CONECT 61 10 CONECT 62 11 CONECT 63 12 CONECT 64 14 CONECT 65 18 CONECT 66 19 CONECT 67 20 CONECT 68 23 CONECT 69 24 CONECT 70 24 CONECT 71 25 CONECT 72 28 CONECT 73 28 CONECT 74 29 CONECT 75 29 CONECT 76 30 CONECT 77 31 CONECT 78 31 CONECT 79 31 CONECT 80 32 CONECT 81 34 CONECT 82 36 CONECT 83 37 CONECT 84 39 CONECT 85 40 CONECT 86 42 CONECT 87 43 CONECT 88 43 CONECT 89 43 CONECT 90 44 CONECT 91 44 CONECT 92 45 CONECT 93 46 CONECT 94 46 CONECT 95 46 MASTER 0 0 0 0 0 0 0 0 95 0 200 0 END