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 3.832 -1.393 0.660 0.00 0.00 C+0 HETATM 2 C UNK 0 3.545 -1.216 -0.782 0.00 0.00 C+0 HETATM 3 C UNK 0 4.364 -1.739 -1.668 0.00 0.00 C+0 HETATM 4 C UNK 0 5.579 -2.514 -1.305 0.00 0.00 C+0 HETATM 5 C UNK 0 6.263 -3.216 -2.277 0.00 0.00 C+0 HETATM 6 S UNK 0 7.511 -3.940 -1.366 0.00 0.00 S+0 HETATM 7 C UNK 0 7.096 -3.319 0.171 0.00 0.00 C+0 HETATM 8 C UNK 0 7.781 -3.554 1.497 0.00 0.00 C+0 HETATM 9 N UNK 0 6.025 -2.590 -0.096 0.00 0.00 N+0 HETATM 10 C UNK 0 2.309 -0.453 -1.215 0.00 0.00 C+0 HETATM 11 C UNK 0 2.410 0.973 -0.699 0.00 0.00 C+0 HETATM 12 C UNK 0 3.819 1.521 -0.758 0.00 0.00 C+0 HETATM 13 O UNK 0 4.481 1.870 0.409 0.00 0.00 O+0 HETATM 14 C UNK 0 3.997 2.890 -0.468 0.00 0.00 C+0 HETATM 15 C UNK 0 2.884 3.673 0.147 0.00 0.00 C+0 HETATM 16 C UNK 0 2.168 4.530 -0.861 0.00 0.00 C+0 HETATM 17 C UNK 0 0.817 5.000 -0.297 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.253 3.992 -0.531 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.342 3.986 0.535 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.088 5.162 1.293 0.00 0.00 O+0 HETATM 21 C UNK 0 -1.193 2.863 1.517 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.962 3.209 2.799 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.434 1.511 1.069 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.528 0.702 1.349 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.564 0.923 0.343 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.769 0.713 1.271 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.104 1.756 -0.800 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.227 -0.449 -0.229 0.00 0.00 C+0 HETATM 29 O UNK 0 -3.336 -1.136 -0.579 0.00 0.00 O+0 HETATM 30 C UNK 0 -3.666 -2.304 -0.019 0.00 0.00 C+0 HETATM 31 O UNK 0 -4.896 -2.150 0.657 0.00 0.00 O+0 HETATM 32 C UNK 0 -5.420 -3.400 0.779 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.849 -4.167 1.955 0.00 0.00 C+0 HETATM 34 O UNK 0 -5.474 -5.431 1.982 0.00 0.00 O+0 HETATM 35 C UNK 0 -5.130 -4.089 -0.521 0.00 0.00 C+0 HETATM 36 O UNK 0 -6.234 -4.055 -1.385 0.00 0.00 O+0 HETATM 37 C UNK 0 -3.986 -3.314 -1.102 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.501 -2.639 -2.240 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.136 -0.358 -1.271 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.029 -1.358 -1.001 0.00 0.00 C+0 HETATM 41 O UNK 0 -0.432 -2.569 -1.164 0.00 0.00 O+0 HETATM 42 O UNK 0 1.222 -1.067 -0.634 0.00 0.00 O+0 HETATM 43 H UNK 0 4.786 -0.864 0.952 0.00 0.00 H+0 HETATM 44 H UNK 0 3.866 -2.462 0.893 0.00 0.00 H+0 HETATM 45 H UNK 0 3.020 -0.956 1.284 0.00 0.00 H+0 HETATM 46 H UNK 0 4.100 -1.565 -2.701 0.00 0.00 H+0 HETATM 47 H UNK 0 6.035 -3.271 -3.358 0.00 0.00 H+0 HETATM 48 H UNK 0 7.996 -4.663 1.533 0.00 0.00 H+0 HETATM 49 H UNK 0 8.687 -2.962 1.620 0.00 0.00 H+0 HETATM 50 H UNK 0 7.040 -3.346 2.280 0.00 0.00 H+0 HETATM 51 H UNK 0 2.296 -0.487 -2.319 0.00 0.00 H+0 HETATM 52 H UNK 0 1.930 1.116 0.260 0.00 0.00 H+0 HETATM 53 H UNK 0 1.840 1.585 -1.460 0.00 0.00 H+0 HETATM 54 H UNK 0 4.451 1.028 -1.522 0.00 0.00 H+0 HETATM 55 H UNK 0 4.777 3.504 -0.959 0.00 0.00 H+0 HETATM 56 H UNK 0 3.372 4.387 0.870 0.00 0.00 H+0 HETATM 57 H UNK 0 2.197 3.070 0.777 0.00 0.00 H+0 HETATM 58 H UNK 0 1.946 4.015 -1.814 0.00 0.00 H+0 HETATM 59 H UNK 0 2.811 5.415 -1.072 0.00 0.00 H+0 HETATM 60 H UNK 0 0.897 5.382 0.718 0.00 0.00 H+0 HETATM 61 H UNK 0 0.572 5.900 -0.938 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.802 4.172 -1.504 0.00 0.00 H+0 HETATM 63 H UNK 0 0.212 3.016 -0.645 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.339 4.130 0.141 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.130 5.900 0.610 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.111 2.950 1.839 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.901 3.773 2.566 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.365 3.895 3.453 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.163 2.307 3.410 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.704 0.575 0.711 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.928 1.618 1.900 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.630 -0.123 1.970 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.632 1.085 -1.552 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.906 2.461 -0.497 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.302 2.214 -1.408 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.741 -0.998 0.608 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.008 -2.774 0.702 0.00 0.00 H+0 HETATM 78 H UNK 0 -6.538 -3.397 0.882 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.010 -3.621 2.896 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.774 -4.359 1.720 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.377 -5.356 1.531 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.800 -5.150 -0.369 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.932 -4.171 -2.318 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.113 -3.936 -1.394 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.098 -1.907 -1.902 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.612 0.618 -1.262 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.470 -0.603 -2.296 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 1 3 10 CONECT 3 2 4 46 CONECT 4 3 5 9 CONECT 5 4 6 47 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 48 49 50 CONECT 9 7 4 CONECT 10 2 11 42 51 CONECT 11 10 12 52 53 CONECT 12 11 13 14 54 CONECT 13 12 14 CONECT 14 13 15 12 55 CONECT 15 14 16 56 57 CONECT 16 15 17 58 59 CONECT 17 16 18 60 61 CONECT 18 17 19 62 63 CONECT 19 18 20 21 64 CONECT 20 19 65 CONECT 21 19 22 23 66 CONECT 22 21 67 68 69 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 23 26 27 28 CONECT 26 25 70 71 72 CONECT 27 25 73 74 75 CONECT 28 25 29 39 76 CONECT 29 28 30 CONECT 30 29 31 37 77 CONECT 31 30 32 CONECT 32 31 33 35 78 CONECT 33 32 34 79 80 CONECT 34 33 81 CONECT 35 32 36 37 82 CONECT 36 35 83 CONECT 37 35 38 30 84 CONECT 38 37 85 CONECT 39 28 40 86 87 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 10 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 3 CONECT 47 5 CONECT 48 8 CONECT 49 8 CONECT 50 8 CONECT 51 10 CONECT 52 11 CONECT 53 11 CONECT 54 12 CONECT 55 14 CONECT 56 15 CONECT 57 15 CONECT 58 16 CONECT 59 16 CONECT 60 17 CONECT 61 17 CONECT 62 18 CONECT 63 18 CONECT 64 19 CONECT 65 20 CONECT 66 21 CONECT 67 22 CONECT 68 22 CONECT 69 22 CONECT 70 26 CONECT 71 26 CONECT 72 26 CONECT 73 27 CONECT 74 27 CONECT 75 27 CONECT 76 28 CONECT 77 30 CONECT 78 32 CONECT 79 33 CONECT 80 33 CONECT 81 34 CONECT 82 35 CONECT 83 36 CONECT 84 37 CONECT 85 38 CONECT 86 39 CONECT 87 39 MASTER 0 0 0 0 0 0 0 0 87 0 180 0 END