HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -0.285 -6.678 -0.920 0.00 0.00 C+0 HETATM 2 C UNK 0 0.004 -5.210 -0.724 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.060 -4.643 0.180 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.234 -4.101 -0.615 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.053 -2.576 -0.632 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.131 -1.895 -1.398 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.917 -0.886 -0.519 0.00 0.00 C+0 HETATM 8 C UNK 0 -5.383 -0.825 -0.905 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.209 0.111 -0.121 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.309 -0.119 1.343 0.00 0.00 C+0 HETATM 11 C UNK 0 -7.220 0.989 1.896 0.00 0.00 C+0 HETATM 12 Cl UNK 0 -7.427 0.836 3.634 0.00 0.00 Cl+0 HETATM 13 Cl UNK 0 -6.488 2.559 1.473 0.00 0.00 Cl+0 HETATM 14 C UNK 0 -3.221 0.420 -0.317 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.699 0.845 0.891 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.689 0.181 2.182 0.00 0.00 O+0 HETATM 17 C UNK 0 -2.042 2.102 1.050 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.865 3.004 0.027 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.381 2.583 -1.171 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.042 1.327 -1.342 0.00 0.00 C+0 HETATM 21 O UNK 0 -3.419 1.292 -2.738 0.00 0.00 O+0 HETATM 22 C UNK 0 -1.179 4.342 0.164 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.976 5.473 -0.198 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.223 6.571 0.563 0.00 0.00 C+0 HETATM 25 N UNK 0 -3.036 7.624 0.078 0.00 0.00 N+0 HETATM 26 O UNK 0 -1.696 6.606 1.714 0.00 0.00 O+0 HETATM 27 C UNK 0 0.188 4.359 -0.555 0.00 0.00 C+0 HETATM 28 C UNK 0 1.069 5.431 -0.013 0.00 0.00 C+0 HETATM 29 C UNK 0 0.827 3.019 -0.565 0.00 0.00 C+0 HETATM 30 C UNK 0 1.762 2.749 0.571 0.00 0.00 C+0 HETATM 31 C UNK 0 3.183 2.506 0.076 0.00 0.00 C+0 HETATM 32 C UNK 0 3.267 1.298 -0.808 0.00 0.00 C+0 HETATM 33 C UNK 0 4.041 0.200 -0.079 0.00 0.00 C+0 HETATM 34 C UNK 0 5.446 0.137 -0.702 0.00 0.00 C+0 HETATM 35 C UNK 0 6.354 -0.866 -0.106 0.00 0.00 C+0 HETATM 36 C UNK 0 6.747 -0.736 1.318 0.00 0.00 C+0 HETATM 37 C UNK 0 7.527 0.495 1.672 0.00 0.00 C+0 HETATM 38 Cl UNK 0 7.908 0.390 3.437 0.00 0.00 Cl+0 HETATM 39 Cl UNK 0 6.743 2.027 1.340 0.00 0.00 Cl+0 HETATM 40 C UNK 0 3.350 -1.171 -0.103 0.00 0.00 C+0 HETATM 41 C UNK 0 2.954 -1.806 -1.275 0.00 0.00 C+0 HETATM 42 O UNK 0 3.018 -1.520 -2.638 0.00 0.00 O+0 HETATM 43 C UNK 0 2.295 -3.098 -1.246 0.00 0.00 C+0 HETATM 44 C UNK 0 2.030 -3.752 -0.091 0.00 0.00 C+0 HETATM 45 C UNK 0 2.431 -3.105 1.042 0.00 0.00 C+0 HETATM 46 C UNK 0 3.086 -1.828 1.078 0.00 0.00 C+0 HETATM 47 O UNK 0 3.353 -1.470 2.458 0.00 0.00 O+0 HETATM 48 C UNK 0 1.349 -5.078 -0.040 0.00 0.00 C+0 HETATM 49 O UNK 0 2.111 -6.151 -0.585 0.00 0.00 O+0 HETATM 50 H UNK 0 0.346 -7.296 -0.244 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.182 -6.980 -1.982 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.346 -6.941 -0.648 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.020 -4.729 -1.720 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.658 -3.888 0.885 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.455 -5.473 0.799 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.203 -4.397 -0.213 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.120 -4.426 -1.688 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.161 -2.268 0.448 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.034 -2.409 -0.994 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.919 -2.674 -1.621 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.844 -1.478 -2.356 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.010 -1.586 0.350 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.427 -0.529 -1.971 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.788 -1.870 -0.896 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.938 1.181 -0.279 0.00 0.00 H+0 HETATM 66 H UNK 0 -7.262 0.039 -0.526 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.389 -0.058 1.917 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.886 -1.069 1.554 0.00 0.00 H+0 HETATM 69 H UNK 0 -8.201 0.946 1.379 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.277 0.604 2.970 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.717 2.168 2.140 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.400 3.070 -2.196 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.253 1.974 -3.391 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.879 4.670 1.177 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.903 7.951 -0.893 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.765 8.089 0.655 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.076 4.640 -1.615 0.00 0.00 H+0 HETATM 78 H UNK 0 0.640 6.418 -0.330 0.00 0.00 H+0 HETATM 79 H UNK 0 2.060 5.340 -0.495 0.00 0.00 H+0 HETATM 80 H UNK 0 1.136 5.474 1.085 0.00 0.00 H+0 HETATM 81 H UNK 0 1.424 2.950 -1.522 0.00 0.00 H+0 HETATM 82 H UNK 0 0.113 2.176 -0.620 0.00 0.00 H+0 HETATM 83 H UNK 0 1.722 3.538 1.331 0.00 0.00 H+0 HETATM 84 H UNK 0 1.490 1.798 1.120 0.00 0.00 H+0 HETATM 85 H UNK 0 3.495 3.424 -0.468 0.00 0.00 H+0 HETATM 86 H UNK 0 3.786 2.378 1.024 0.00 0.00 H+0 HETATM 87 H UNK 0 2.233 0.929 -1.055 0.00 0.00 H+0 HETATM 88 H UNK 0 3.817 1.542 -1.734 0.00 0.00 H+0 HETATM 89 H UNK 0 4.146 0.701 0.878 0.00 0.00 H+0 HETATM 90 H UNK 0 5.877 1.139 -0.704 0.00 0.00 H+0 HETATM 91 H UNK 0 5.321 -0.201 -1.794 0.00 0.00 H+0 HETATM 92 H UNK 0 5.987 -1.924 -0.270 0.00 0.00 H+0 HETATM 93 H UNK 0 7.347 -0.905 -0.681 0.00 0.00 H+0 HETATM 94 H UNK 0 7.454 -1.600 1.556 0.00 0.00 H+0 HETATM 95 H UNK 0 5.880 -0.868 2.012 0.00 0.00 H+0 HETATM 96 H UNK 0 8.513 0.468 1.165 0.00 0.00 H+0 HETATM 97 H UNK 0 3.223 -1.034 -3.360 0.00 0.00 H+0 HETATM 98 H UNK 0 2.087 -3.393 -2.334 0.00 0.00 H+0 HETATM 99 H UNK 0 2.363 -3.386 2.140 0.00 0.00 H+0 HETATM 100 H UNK 0 3.069 -2.107 3.148 0.00 0.00 H+0 HETATM 101 H UNK 0 1.093 -5.481 0.980 0.00 0.00 H+0 HETATM 102 H UNK 0 2.637 -6.603 0.109 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 48 53 CONECT 3 2 4 54 55 CONECT 4 3 5 56 57 CONECT 5 4 6 58 59 CONECT 6 5 7 60 61 CONECT 7 6 8 14 62 CONECT 8 7 9 63 64 CONECT 9 8 10 65 66 CONECT 10 9 11 67 68 CONECT 11 10 12 13 69 CONECT 12 11 CONECT 13 11 CONECT 14 7 15 20 CONECT 15 14 16 17 CONECT 16 15 70 CONECT 17 15 18 71 CONECT 18 17 19 22 CONECT 19 18 20 72 CONECT 20 19 21 14 CONECT 21 20 73 CONECT 22 18 23 27 74 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 75 76 CONECT 26 24 CONECT 27 22 28 29 77 CONECT 28 27 78 79 80 CONECT 29 27 30 81 82 CONECT 30 29 31 83 84 CONECT 31 30 32 85 86 CONECT 32 31 33 87 88 CONECT 33 32 34 40 89 CONECT 34 33 35 90 91 CONECT 35 34 36 92 93 CONECT 36 35 37 94 95 CONECT 37 36 38 39 96 CONECT 38 37 CONECT 39 37 CONECT 40 33 41 46 CONECT 41 40 42 43 CONECT 42 41 97 CONECT 43 41 44 98 CONECT 44 43 45 48 CONECT 45 44 46 99 CONECT 46 45 47 40 CONECT 47 46 100 CONECT 48 44 49 2 101 CONECT 49 48 102 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 2 CONECT 54 3 CONECT 55 3 CONECT 56 4 CONECT 57 4 CONECT 58 5 CONECT 59 5 CONECT 60 6 CONECT 61 6 CONECT 62 7 CONECT 63 8 CONECT 64 8 CONECT 65 9 CONECT 66 9 CONECT 67 10 CONECT 68 10 CONECT 69 11 CONECT 70 16 CONECT 71 17 CONECT 72 19 CONECT 73 21 CONECT 74 22 CONECT 75 25 CONECT 76 25 CONECT 77 27 CONECT 78 28 CONECT 79 28 CONECT 80 28 CONECT 81 29 CONECT 82 29 CONECT 83 30 CONECT 84 30 CONECT 85 31 CONECT 86 31 CONECT 87 32 CONECT 88 32 CONECT 89 33 CONECT 90 34 CONECT 91 34 CONECT 92 35 CONECT 93 35 CONECT 94 36 CONECT 95 36 CONECT 96 37 CONECT 97 42 CONECT 98 43 CONECT 99 45 CONECT 100 47 CONECT 101 48 CONECT 102 49 MASTER 0 0 0 0 0 0 0 0 102 0 208 0 END