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 -6.249 -1.697 -4.163 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.416 -2.244 -3.405 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.400 -1.841 -1.931 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.155 -2.349 -1.275 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.109 -1.994 0.180 0.00 0.00 C+0 HETATM 6 C UNK 0 -6.132 -0.521 0.369 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.065 -0.117 1.832 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.833 -0.594 2.528 0.00 0.00 C+0 HETATM 9 C UNK 0 -3.588 -0.070 1.917 0.00 0.00 C+0 HETATM 10 O UNK 0 -3.063 -0.759 1.011 0.00 0.00 O+0 HETATM 11 C UNK 0 -3.023 1.190 2.369 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.650 1.988 3.294 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.054 3.191 3.675 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.852 3.599 3.147 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.225 2.782 2.210 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.790 1.592 1.817 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.886 0.988 0.835 0.00 0.00 C+0 HETATM 18 C UNK 0 0.422 1.658 1.091 0.00 0.00 C+0 HETATM 19 O UNK 0 -0.006 2.949 1.517 0.00 0.00 O+0 HETATM 20 O UNK 0 1.248 1.775 0.007 0.00 0.00 O+0 HETATM 21 C UNK 0 2.470 2.167 0.554 0.00 0.00 C+0 HETATM 22 C UNK 0 3.618 1.827 -0.389 0.00 0.00 C+0 HETATM 23 C UNK 0 3.625 0.336 -0.612 0.00 0.00 C+0 HETATM 24 C UNK 0 4.728 -0.114 -1.531 0.00 0.00 C+0 HETATM 25 C UNK 0 6.091 0.213 -1.045 0.00 0.00 C+0 HETATM 26 C UNK 0 7.131 -0.258 -2.020 0.00 0.00 C+0 HETATM 27 C UNK 0 7.064 -1.753 -2.227 0.00 0.00 C+0 HETATM 28 C UNK 0 8.125 -2.220 -3.204 0.00 0.00 C+0 HETATM 29 C UNK 0 8.030 -3.719 -3.389 0.00 0.00 C+0 HETATM 30 O UNK 0 2.458 3.493 0.920 0.00 0.00 O+0 HETATM 31 C UNK 0 2.207 4.276 -0.197 0.00 0.00 C+0 HETATM 32 C UNK 0 2.559 1.296 1.788 0.00 0.00 C+0 HETATM 33 C UNK 0 3.598 0.819 2.555 0.00 0.00 C+0 HETATM 34 C UNK 0 3.321 0.024 3.647 0.00 0.00 C+0 HETATM 35 C UNK 0 2.009 -0.304 3.987 0.00 0.00 C+0 HETATM 36 C UNK 0 1.014 0.189 3.202 0.00 0.00 C+0 HETATM 37 O UNK 0 -0.288 -0.122 3.520 0.00 0.00 O+0 HETATM 38 C UNK 0 1.252 0.990 2.098 0.00 0.00 C+0 HETATM 39 H UNK 0 -5.438 -2.473 -4.180 0.00 0.00 H+0 HETATM 40 H UNK 0 -5.803 -0.848 -3.575 0.00 0.00 H+0 HETATM 41 H UNK 0 -6.555 -1.386 -5.163 0.00 0.00 H+0 HETATM 42 H UNK 0 -8.366 -1.858 -3.855 0.00 0.00 H+0 HETATM 43 H UNK 0 -7.370 -3.348 -3.427 0.00 0.00 H+0 HETATM 44 H UNK 0 -7.585 -0.768 -1.814 0.00 0.00 H+0 HETATM 45 H UNK 0 -8.274 -2.376 -1.467 0.00 0.00 H+0 HETATM 46 H UNK 0 -5.271 -1.913 -1.833 0.00 0.00 H+0 HETATM 47 H UNK 0 -6.070 -3.469 -1.414 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.184 -2.475 0.584 0.00 0.00 H+0 HETATM 49 H UNK 0 -7.025 -2.465 0.635 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.359 -0.034 -0.243 0.00 0.00 H+0 HETATM 51 H UNK 0 -7.123 -0.139 -0.021 0.00 0.00 H+0 HETATM 52 H UNK 0 -6.077 0.999 1.880 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.981 -0.477 2.342 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.854 -0.262 3.584 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.822 -1.710 2.589 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.596 1.715 3.736 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.595 3.789 4.415 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.410 4.538 3.459 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.239 1.294 -0.185 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.837 -0.111 0.846 0.00 0.00 H+0 HETATM 61 H UNK 0 4.544 2.241 -0.003 0.00 0.00 H+0 HETATM 62 H UNK 0 3.388 2.360 -1.352 0.00 0.00 H+0 HETATM 63 H UNK 0 2.661 0.076 -1.115 0.00 0.00 H+0 HETATM 64 H UNK 0 3.646 -0.219 0.341 0.00 0.00 H+0 HETATM 65 H UNK 0 4.595 0.246 -2.569 0.00 0.00 H+0 HETATM 66 H UNK 0 4.626 -1.237 -1.583 0.00 0.00 H+0 HETATM 67 H UNK 0 6.263 -0.383 -0.098 0.00 0.00 H+0 HETATM 68 H UNK 0 6.229 1.264 -0.737 0.00 0.00 H+0 HETATM 69 H UNK 0 6.961 0.195 -3.040 0.00 0.00 H+0 HETATM 70 H UNK 0 8.162 0.048 -1.689 0.00 0.00 H+0 HETATM 71 H UNK 0 6.088 -1.953 -2.762 0.00 0.00 H+0 HETATM 72 H UNK 0 7.043 -2.333 -1.302 0.00 0.00 H+0 HETATM 73 H UNK 0 9.130 -1.943 -2.779 0.00 0.00 H+0 HETATM 74 H UNK 0 8.008 -1.731 -4.170 0.00 0.00 H+0 HETATM 75 H UNK 0 7.684 -4.229 -2.467 0.00 0.00 H+0 HETATM 76 H UNK 0 9.042 -4.072 -3.685 0.00 0.00 H+0 HETATM 77 H UNK 0 7.358 -3.949 -4.258 0.00 0.00 H+0 HETATM 78 H UNK 0 1.220 4.024 -0.685 0.00 0.00 H+0 HETATM 79 H UNK 0 2.050 5.348 0.153 0.00 0.00 H+0 HETATM 80 H UNK 0 3.027 4.282 -0.933 0.00 0.00 H+0 HETATM 81 H UNK 0 4.604 1.069 2.298 0.00 0.00 H+0 HETATM 82 H UNK 0 4.100 -0.374 4.280 0.00 0.00 H+0 HETATM 83 H UNK 0 1.789 -0.930 4.846 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.567 -0.695 4.300 0.00 0.00 H+0 CONECT 1 2 39 40 41 CONECT 2 1 3 42 43 CONECT 3 2 4 44 45 CONECT 4 3 5 46 47 CONECT 5 4 6 48 49 CONECT 6 5 7 50 51 CONECT 7 6 8 52 53 CONECT 8 7 9 54 55 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 16 CONECT 12 11 13 56 CONECT 13 12 14 57 CONECT 14 13 15 58 CONECT 15 14 16 19 CONECT 16 15 17 11 CONECT 17 16 18 59 60 CONECT 18 17 19 20 38 CONECT 19 18 15 CONECT 20 18 21 CONECT 21 20 22 30 32 CONECT 22 21 23 61 62 CONECT 23 22 24 63 64 CONECT 24 23 25 65 66 CONECT 25 24 26 67 68 CONECT 26 25 27 69 70 CONECT 27 26 28 71 72 CONECT 28 27 29 73 74 CONECT 29 28 75 76 77 CONECT 30 21 31 CONECT 31 30 78 79 80 CONECT 32 21 33 38 CONECT 33 32 34 81 CONECT 34 33 35 82 CONECT 35 34 36 83 CONECT 36 35 37 38 CONECT 37 36 84 CONECT 38 36 18 32 CONECT 39 1 CONECT 40 1 CONECT 41 1 CONECT 42 2 CONECT 43 2 CONECT 44 3 CONECT 45 3 CONECT 46 4 CONECT 47 4 CONECT 48 5 CONECT 49 5 CONECT 50 6 CONECT 51 6 CONECT 52 7 CONECT 53 7 CONECT 54 8 CONECT 55 8 CONECT 56 12 CONECT 57 13 CONECT 58 14 CONECT 59 17 CONECT 60 17 CONECT 61 22 CONECT 62 22 CONECT 63 23 CONECT 64 23 CONECT 65 24 CONECT 66 24 CONECT 67 25 CONECT 68 25 CONECT 69 26 CONECT 70 26 CONECT 71 27 CONECT 72 27 CONECT 73 28 CONECT 74 28 CONECT 75 29 CONECT 76 29 CONECT 77 29 CONECT 78 31 CONECT 79 31 CONECT 80 31 CONECT 81 33 CONECT 82 34 CONECT 83 35 CONECT 84 37 MASTER 0 0 0 0 0 0 0 0 84 0 174 0 END