HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -1.968 1.776 5.335 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.318 2.545 4.099 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.842 2.358 2.853 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.253 3.216 1.693 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.911 1.237 2.546 0.00 0.00 C+0 HETATM 6 O UNK 0 -1.067 0.088 2.938 0.00 0.00 O+0 HETATM 7 O UNK 0 0.101 1.721 1.741 0.00 0.00 O+0 HETATM 8 C UNK 0 1.084 0.760 1.438 0.00 0.00 C+0 HETATM 9 C UNK 0 2.291 0.856 2.140 0.00 0.00 C+0 HETATM 10 O UNK 0 2.443 1.847 3.076 0.00 0.00 O+0 HETATM 11 C UNK 0 3.086 2.974 2.479 0.00 0.00 C+0 HETATM 12 C UNK 0 3.293 -0.074 1.892 0.00 0.00 C+0 HETATM 13 O UNK 0 4.506 -0.105 2.525 0.00 0.00 O+0 HETATM 14 C UNK 0 4.391 -0.131 3.948 0.00 0.00 C+0 HETATM 15 C UNK 0 3.104 -1.030 0.892 0.00 0.00 C+0 HETATM 16 C UNK 0 1.896 -1.130 0.155 0.00 0.00 C+0 HETATM 17 C UNK 0 0.864 -0.202 0.417 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.419 -0.197 -0.316 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.368 -1.250 -0.173 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.617 -1.159 -0.833 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.893 -0.052 -1.603 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.983 0.957 -1.764 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.744 0.903 -1.154 0.00 0.00 C+0 HETATM 24 O UNK 0 0.125 1.955 -1.299 0.00 0.00 O+0 HETATM 25 C UNK 0 0.859 1.827 -2.516 0.00 0.00 C+0 HETATM 26 O UNK 0 -2.456 1.953 -2.564 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.772 1.456 -2.874 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.048 0.169 -2.286 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.104 -2.529 0.615 0.00 0.00 C+0 HETATM 30 O UNK 0 -0.455 -2.348 1.860 0.00 0.00 O+0 HETATM 31 C UNK 0 -0.404 -3.609 -0.249 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.906 -4.998 0.194 0.00 0.00 C+0 HETATM 33 C UNK 0 1.157 -3.590 -0.319 0.00 0.00 C+0 HETATM 34 C UNK 0 1.874 -4.116 0.934 0.00 0.00 C+0 HETATM 35 C UNK 0 1.804 -2.276 -0.851 0.00 0.00 C+0 HETATM 36 O UNK 0 1.165 -1.846 -2.069 0.00 0.00 O+0 HETATM 37 C UNK 0 1.628 -2.401 -3.217 0.00 0.00 C+0 HETATM 38 O UNK 0 2.537 -3.213 -3.308 0.00 0.00 O+0 HETATM 39 C UNK 0 0.922 -1.847 -4.412 0.00 0.00 C+0 HETATM 40 C UNK 0 1.759 -1.837 -5.655 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.357 -1.434 -4.311 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.229 -0.876 -5.388 0.00 0.00 C+0 HETATM 43 H UNK 0 -2.813 1.150 5.637 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.756 2.477 6.149 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.085 1.144 5.219 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.027 3.355 4.265 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.037 3.928 1.971 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.404 3.793 1.313 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.648 2.597 0.881 0.00 0.00 H+0 HETATM 50 H UNK 0 4.101 2.726 2.151 0.00 0.00 H+0 HETATM 51 H UNK 0 2.500 3.370 1.642 0.00 0.00 H+0 HETATM 52 H UNK 0 3.159 3.757 3.240 0.00 0.00 H+0 HETATM 53 H UNK 0 4.412 0.886 4.349 0.00 0.00 H+0 HETATM 54 H UNK 0 3.497 -0.666 4.290 0.00 0.00 H+0 HETATM 55 H UNK 0 5.265 -0.659 4.341 0.00 0.00 H+0 HETATM 56 H UNK 0 3.914 -1.734 0.706 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.360 -1.948 -0.746 0.00 0.00 H+0 HETATM 58 H UNK 0 1.532 2.686 -2.591 0.00 0.00 H+0 HETATM 59 H UNK 0 1.472 0.920 -2.514 0.00 0.00 H+0 HETATM 60 H UNK 0 0.199 1.840 -3.390 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.868 1.371 -3.962 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.515 2.175 -2.510 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.095 -2.911 0.894 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.767 -1.503 2.251 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.765 -3.499 -1.282 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.419 -5.794 -0.380 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.726 -5.175 1.259 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.984 -5.087 0.023 0.00 0.00 H+0 HETATM 69 H UNK 0 1.383 -4.338 -1.096 0.00 0.00 H+0 HETATM 70 H UNK 0 2.957 -4.145 0.769 0.00 0.00 H+0 HETATM 71 H UNK 0 1.690 -3.502 1.818 0.00 0.00 H+0 HETATM 72 H UNK 0 1.572 -5.141 1.169 0.00 0.00 H+0 HETATM 73 H UNK 0 2.847 -2.516 -1.103 0.00 0.00 H+0 HETATM 74 H UNK 0 1.318 -1.251 -6.465 0.00 0.00 H+0 HETATM 75 H UNK 0 1.909 -2.858 -6.021 0.00 0.00 H+0 HETATM 76 H UNK 0 2.741 -1.397 -5.450 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.860 -1.520 -3.350 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.162 -1.446 -5.435 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.479 0.165 -5.160 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.775 -0.908 -6.380 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 1 3 46 CONECT 3 2 5 4 CONECT 4 3 47 48 49 CONECT 5 7 3 6 CONECT 6 5 CONECT 7 8 5 CONECT 8 17 9 7 CONECT 9 8 12 10 CONECT 10 9 11 CONECT 11 10 50 51 52 CONECT 12 9 15 13 CONECT 13 12 14 CONECT 14 13 53 54 55 CONECT 15 12 16 56 CONECT 16 35 17 15 CONECT 17 16 8 18 CONECT 18 23 17 19 CONECT 19 29 18 20 CONECT 20 19 21 57 CONECT 21 28 22 20 CONECT 22 26 23 21 CONECT 23 22 18 24 CONECT 24 23 25 CONECT 25 24 58 59 60 CONECT 26 27 22 CONECT 27 28 26 61 62 CONECT 28 21 27 CONECT 29 19 31 30 63 CONECT 30 29 64 CONECT 31 29 33 32 65 CONECT 32 31 66 67 68 CONECT 33 35 31 34 69 CONECT 34 33 70 71 72 CONECT 35 16 33 36 73 CONECT 36 37 35 CONECT 37 38 36 39 CONECT 38 37 CONECT 39 40 41 37 CONECT 40 39 74 75 76 CONECT 41 42 39 77 CONECT 42 41 78 79 80 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 2 CONECT 47 4 CONECT 48 4 CONECT 49 4 CONECT 50 11 CONECT 51 11 CONECT 52 11 CONECT 53 14 CONECT 54 14 CONECT 55 14 CONECT 56 15 CONECT 57 20 CONECT 58 25 CONECT 59 25 CONECT 60 25 CONECT 61 27 CONECT 62 27 CONECT 63 29 CONECT 64 30 CONECT 65 31 CONECT 66 32 CONECT 67 32 CONECT 68 32 CONECT 69 33 CONECT 70 34 CONECT 71 34 CONECT 72 34 CONECT 73 35 CONECT 74 40 CONECT 75 40 CONECT 76 40 CONECT 77 41 CONECT 78 42 CONECT 79 42 CONECT 80 42 MASTER 0 0 0 0 0 0 0 0 80 0 166 0 END