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 -4.287 4.704 1.656 0.00 0.00 C+0 HETATM 2 O UNK 0 -3.670 3.631 0.963 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.338 2.453 1.613 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.599 2.361 2.838 0.00 0.00 O+0 HETATM 5 C UNK 0 -2.704 1.391 0.831 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.405 0.179 1.658 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.910 -0.850 0.947 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.818 -2.125 1.434 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.928 -2.498 2.472 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.465 -0.470 -0.443 0.00 0.00 C+0 HETATM 11 Cl UNK 0 -0.675 -1.789 -1.278 0.00 0.00 Cl+0 HETATM 12 C UNK 0 -2.652 0.067 -1.164 0.00 0.00 C+0 HETATM 13 O UNK 0 -2.886 -0.121 -2.337 0.00 0.00 O+0 HETATM 14 C UNK 0 -3.580 0.892 -0.307 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.211 1.907 -1.009 0.00 0.00 O+0 HETATM 16 C UNK 0 -5.349 1.573 -1.766 0.00 0.00 C+0 HETATM 17 O UNK 0 -5.727 2.311 -2.697 0.00 0.00 O+0 HETATM 18 C UNK 0 -6.097 0.360 -1.468 0.00 0.00 C+0 HETATM 19 C UNK 0 -7.220 -0.024 -2.168 0.00 0.00 C+0 HETATM 20 O UNK 0 -7.728 0.687 -3.194 0.00 0.00 O+0 HETATM 21 C UNK 0 -7.829 -1.221 -1.754 0.00 0.00 C+0 HETATM 22 C UNK 0 -7.382 -1.995 -0.732 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.021 -3.255 -0.294 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.257 -1.585 -0.050 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.624 -0.424 -0.414 0.00 0.00 C+0 HETATM 26 O UNK 0 -4.498 -0.019 0.271 0.00 0.00 O+0 HETATM 27 C UNK 0 -0.519 0.720 -0.225 0.00 0.00 C+0 HETATM 28 C UNK 0 0.042 1.158 -1.535 0.00 0.00 C+0 HETATM 29 C UNK 0 0.433 0.342 0.783 0.00 0.00 C+0 HETATM 30 C UNK 0 1.597 -0.070 0.358 0.00 0.00 C+0 HETATM 31 C UNK 0 2.721 -0.475 -0.153 0.00 0.00 C+0 HETATM 32 C UNK 0 2.819 -1.877 -0.445 0.00 0.00 C+0 HETATM 33 C UNK 0 4.203 -2.360 -0.166 0.00 0.00 C+0 HETATM 34 O UNK 0 4.085 -3.352 0.839 0.00 0.00 O+0 HETATM 35 C UNK 0 5.157 -1.345 0.353 0.00 0.00 C+0 HETATM 36 O UNK 0 4.755 -0.600 1.510 0.00 0.00 O+0 HETATM 37 C UNK 0 5.027 0.006 0.165 0.00 0.00 C+0 HETATM 38 C UNK 0 6.225 0.929 0.171 0.00 0.00 C+0 HETATM 39 C UNK 0 7.130 0.495 -0.917 0.00 0.00 C+0 HETATM 40 C UNK 0 8.375 0.100 -0.723 0.00 0.00 C+0 HETATM 41 C UNK 0 8.993 0.055 0.641 0.00 0.00 C+0 HETATM 42 C UNK 0 9.218 -0.321 -1.874 0.00 0.00 C+0 HETATM 43 C UNK 0 3.716 0.547 -0.358 0.00 0.00 C+0 HETATM 44 O UNK 0 3.408 1.786 0.143 0.00 0.00 O+0 HETATM 45 C UNK 0 -1.364 1.881 0.311 0.00 0.00 C+0 HETATM 46 H UNK 0 -3.547 5.409 2.033 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.948 4.284 2.443 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.957 5.265 0.954 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.567 0.130 2.714 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.107 -1.952 3.410 0.00 0.00 H+0 HETATM 51 H UNK 0 0.131 -2.343 2.160 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.053 -3.582 2.677 0.00 0.00 H+0 HETATM 53 H UNK 0 -7.454 1.508 -3.607 0.00 0.00 H+0 HETATM 54 H UNK 0 -8.702 -1.515 -2.301 0.00 0.00 H+0 HETATM 55 H UNK 0 -8.744 -3.046 0.535 0.00 0.00 H+0 HETATM 56 H UNK 0 -7.251 -3.938 0.104 0.00 0.00 H+0 HETATM 57 H UNK 0 -8.519 -3.750 -1.145 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.844 -2.166 0.786 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.642 1.866 -2.041 0.00 0.00 H+0 HETATM 60 H UNK 0 1.014 1.643 -1.406 0.00 0.00 H+0 HETATM 61 H UNK 0 0.213 0.284 -2.225 0.00 0.00 H+0 HETATM 62 H UNK 0 0.324 0.350 1.820 0.00 0.00 H+0 HETATM 63 H UNK 0 2.635 -2.005 -1.555 0.00 0.00 H+0 HETATM 64 H UNK 0 2.034 -2.499 0.033 0.00 0.00 H+0 HETATM 65 H UNK 0 4.649 -2.825 -1.054 0.00 0.00 H+0 HETATM 66 H UNK 0 3.591 -2.881 1.581 0.00 0.00 H+0 HETATM 67 H UNK 0 6.177 -1.788 0.546 0.00 0.00 H+0 HETATM 68 H UNK 0 6.715 0.935 1.167 0.00 0.00 H+0 HETATM 69 H UNK 0 5.868 1.976 0.005 0.00 0.00 H+0 HETATM 70 H UNK 0 6.728 0.510 -1.921 0.00 0.00 H+0 HETATM 71 H UNK 0 8.754 0.980 1.212 0.00 0.00 H+0 HETATM 72 H UNK 0 8.549 -0.794 1.224 0.00 0.00 H+0 HETATM 73 H UNK 0 10.070 -0.129 0.581 0.00 0.00 H+0 HETATM 74 H UNK 0 8.545 -0.944 -2.532 0.00 0.00 H+0 HETATM 75 H UNK 0 9.627 0.546 -2.435 0.00 0.00 H+0 HETATM 76 H UNK 0 10.036 -1.011 -1.563 0.00 0.00 H+0 HETATM 77 H UNK 0 3.869 0.679 -1.468 0.00 0.00 H+0 HETATM 78 H UNK 0 3.983 2.024 0.914 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.486 2.680 -0.437 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.847 2.343 1.188 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 14 45 CONECT 6 5 7 49 CONECT 7 6 8 10 CONECT 8 7 9 CONECT 9 8 50 51 52 CONECT 10 7 11 12 27 CONECT 11 10 CONECT 12 10 13 14 CONECT 13 12 CONECT 14 12 15 5 26 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 25 CONECT 19 18 20 21 CONECT 20 19 53 CONECT 21 19 22 54 CONECT 22 21 23 24 CONECT 23 22 55 56 57 CONECT 24 22 25 58 CONECT 25 24 26 18 CONECT 26 25 14 CONECT 27 10 28 29 45 CONECT 28 27 59 60 61 CONECT 29 27 30 62 CONECT 30 29 31 CONECT 31 30 32 43 CONECT 32 31 33 63 64 CONECT 33 32 34 35 65 CONECT 34 33 66 CONECT 35 33 36 37 67 CONECT 36 35 37 CONECT 37 36 38 43 35 CONECT 38 37 39 68 69 CONECT 39 38 40 70 CONECT 40 39 41 42 CONECT 41 40 71 72 73 CONECT 42 40 74 75 76 CONECT 43 37 44 31 77 CONECT 44 43 78 CONECT 45 27 5 79 80 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 6 CONECT 50 9 CONECT 51 9 CONECT 52 9 CONECT 53 20 CONECT 54 21 CONECT 55 23 CONECT 56 23 CONECT 57 23 CONECT 58 24 CONECT 59 28 CONECT 60 28 CONECT 61 28 CONECT 62 29 CONECT 63 32 CONECT 64 32 CONECT 65 33 CONECT 66 34 CONECT 67 35 CONECT 68 38 CONECT 69 38 CONECT 70 39 CONECT 71 41 CONECT 72 41 CONECT 73 41 CONECT 74 42 CONECT 75 42 CONECT 76 42 CONECT 77 43 CONECT 78 44 CONECT 79 45 CONECT 80 45 MASTER 0 0 0 0 0 0 0 0 80 0 170 0 END