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 -0.051 1.560 1.323 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.060 0.667 0.107 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.460 0.596 -0.379 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.503 0.702 0.468 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.926 0.640 0.038 0.00 0.00 C+0 HETATM 6 O UNK 0 -4.675 0.914 1.217 0.00 0.00 O+0 HETATM 7 C UNK 0 -4.390 -0.694 -0.417 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.352 -1.527 -1.116 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.836 -1.526 0.795 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.581 -0.559 -1.302 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.229 0.152 -2.576 0.00 0.00 C+0 HETATM 12 O UNK 0 -6.443 0.473 -3.210 0.00 0.00 O+0 HETATM 13 C UNK 0 -4.365 1.362 -2.343 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.290 1.764 -0.905 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.337 2.936 -0.780 0.00 0.00 C+0 HETATM 16 O UNK 0 -5.563 2.293 -0.576 0.00 0.00 O+0 HETATM 17 O UNK 0 0.449 -0.578 0.317 0.00 0.00 O+0 HETATM 18 C UNK 0 1.573 -0.906 -0.423 0.00 0.00 C+0 HETATM 19 O UNK 0 1.408 -1.903 -1.327 0.00 0.00 O+0 HETATM 20 C UNK 0 1.342 -3.189 -0.831 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.060 -3.626 -0.500 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.891 -3.608 -1.621 0.00 0.00 O+0 HETATM 23 C UNK 0 2.281 -3.403 0.332 0.00 0.00 C+0 HETATM 24 O UNK 0 2.763 -4.706 0.320 0.00 0.00 O+0 HETATM 25 C UNK 0 3.378 -2.368 0.345 0.00 0.00 C+0 HETATM 26 O UNK 0 4.373 -2.640 1.248 0.00 0.00 O+0 HETATM 27 C UNK 0 2.803 -0.999 0.444 0.00 0.00 C+0 HETATM 28 O UNK 0 3.762 -0.041 0.087 0.00 0.00 O+0 HETATM 29 C UNK 0 4.060 0.812 1.117 0.00 0.00 C+0 HETATM 30 O UNK 0 3.879 2.158 0.823 0.00 0.00 O+0 HETATM 31 C UNK 0 4.351 2.778 1.976 0.00 0.00 C+0 HETATM 32 C UNK 0 5.717 2.149 2.136 0.00 0.00 C+0 HETATM 33 O UNK 0 6.113 2.114 3.465 0.00 0.00 O+0 HETATM 34 C UNK 0 6.671 2.977 1.299 0.00 0.00 C+0 HETATM 35 O UNK 0 7.962 2.437 1.356 0.00 0.00 O+0 HETATM 36 C UNK 0 5.512 0.775 1.544 0.00 0.00 C+0 HETATM 37 O UNK 0 5.633 -0.132 2.621 0.00 0.00 O+0 HETATM 38 H UNK 0 0.902 2.140 1.399 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.845 2.320 1.174 0.00 0.00 H+0 HETATM 40 H UNK 0 -0.305 1.019 2.255 0.00 0.00 H+0 HETATM 41 H UNK 0 0.533 1.203 -0.661 0.00 0.00 H+0 HETATM 42 H UNK 0 -1.661 0.457 -1.428 0.00 0.00 H+0 HETATM 43 H UNK 0 -2.196 0.841 1.521 0.00 0.00 H+0 HETATM 44 H UNK 0 -5.617 1.084 0.997 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.786 -2.571 -1.164 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.174 -1.249 -2.159 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.434 -1.652 -0.504 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.343 -0.903 1.551 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.868 -1.882 1.255 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.391 -2.414 0.487 0.00 0.00 H+0 HETATM 51 H UNK 0 -6.367 0.051 -0.792 0.00 0.00 H+0 HETATM 52 H UNK 0 -6.017 -1.546 -1.541 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.723 -0.558 -3.287 0.00 0.00 H+0 HETATM 54 H UNK 0 -7.081 0.687 -2.494 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.393 1.286 -2.856 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.891 2.216 -2.869 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.828 3.894 -1.074 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.381 2.762 -1.309 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.048 3.098 0.301 0.00 0.00 H+0 HETATM 60 H UNK 0 -6.011 2.619 -1.394 0.00 0.00 H+0 HETATM 61 H UNK 0 1.740 0.031 -1.050 0.00 0.00 H+0 HETATM 62 H UNK 0 1.701 -3.860 -1.642 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.544 -2.924 0.239 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.034 -4.622 -0.009 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.764 -3.987 -1.371 0.00 0.00 H+0 HETATM 66 H UNK 0 1.692 -3.271 1.258 0.00 0.00 H+0 HETATM 67 H UNK 0 3.232 -4.918 -0.535 0.00 0.00 H+0 HETATM 68 H UNK 0 3.849 -2.437 -0.680 0.00 0.00 H+0 HETATM 69 H UNK 0 4.181 -3.497 1.694 0.00 0.00 H+0 HETATM 70 H UNK 0 2.561 -0.791 1.515 0.00 0.00 H+0 HETATM 71 H UNK 0 3.467 0.599 2.044 0.00 0.00 H+0 HETATM 72 H UNK 0 3.664 2.491 2.791 0.00 0.00 H+0 HETATM 73 H UNK 0 4.417 3.882 1.855 0.00 0.00 H+0 HETATM 74 H UNK 0 7.109 2.081 3.503 0.00 0.00 H+0 HETATM 75 H UNK 0 6.745 4.013 1.680 0.00 0.00 H+0 HETATM 76 H UNK 0 6.296 3.012 0.262 0.00 0.00 H+0 HETATM 77 H UNK 0 8.565 2.996 1.943 0.00 0.00 H+0 HETATM 78 H UNK 0 6.211 0.503 0.758 0.00 0.00 H+0 HETATM 79 H UNK 0 4.819 -0.056 3.215 0.00 0.00 H+0 CONECT 1 2 38 39 40 CONECT 2 1 3 17 41 CONECT 3 2 4 42 CONECT 4 3 5 43 CONECT 5 4 6 7 14 CONECT 6 5 44 CONECT 7 5 8 9 10 CONECT 8 7 45 46 47 CONECT 9 7 48 49 50 CONECT 10 7 11 51 52 CONECT 11 10 12 13 53 CONECT 12 11 54 CONECT 13 11 14 55 56 CONECT 14 13 15 16 5 CONECT 15 14 57 58 59 CONECT 16 14 60 CONECT 17 2 18 CONECT 18 17 19 27 61 CONECT 19 18 20 CONECT 20 19 21 23 62 CONECT 21 20 22 63 64 CONECT 22 21 65 CONECT 23 20 24 25 66 CONECT 24 23 67 CONECT 25 23 26 27 68 CONECT 26 25 69 CONECT 27 25 28 18 70 CONECT 28 27 29 CONECT 29 28 30 36 71 CONECT 30 29 31 CONECT 31 30 32 72 73 CONECT 32 31 33 34 36 CONECT 33 32 74 CONECT 34 32 35 75 76 CONECT 35 34 77 CONECT 36 32 37 29 78 CONECT 37 36 79 CONECT 38 1 CONECT 39 1 CONECT 40 1 CONECT 41 2 CONECT 42 3 CONECT 43 4 CONECT 44 6 CONECT 45 8 CONECT 46 8 CONECT 47 8 CONECT 48 9 CONECT 49 9 CONECT 50 9 CONECT 51 10 CONECT 52 10 CONECT 53 11 CONECT 54 12 CONECT 55 13 CONECT 56 13 CONECT 57 15 CONECT 58 15 CONECT 59 15 CONECT 60 16 CONECT 61 18 CONECT 62 20 CONECT 63 21 CONECT 64 21 CONECT 65 22 CONECT 66 23 CONECT 67 24 CONECT 68 25 CONECT 69 26 CONECT 70 27 CONECT 71 29 CONECT 72 31 CONECT 73 31 CONECT 74 33 CONECT 75 34 CONECT 76 34 CONECT 77 35 CONECT 78 36 CONECT 79 37 MASTER 0 0 0 0 0 0 0 0 79 0 162 0 END