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 -9.327 0.124 0.956 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.889 -0.265 1.046 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.995 0.316 0.257 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.481 1.342 -0.690 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.561 -0.082 0.356 0.00 0.00 C+0 HETATM 6 O UNK 0 -5.203 -0.743 -0.812 0.00 0.00 O+0 HETATM 7 C UNK 0 -4.840 -2.105 -0.817 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.454 -2.832 -2.049 0.00 0.00 C+0 HETATM 9 O UNK 0 -4.859 -2.689 0.293 0.00 0.00 O+0 HETATM 10 C UNK 0 -4.749 1.128 0.725 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.341 1.555 2.095 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.315 0.803 0.895 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.795 0.856 2.109 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.384 0.537 2.270 0.00 0.00 C+0 HETATM 15 O UNK 0 -0.885 0.586 3.433 0.00 0.00 O+0 HETATM 16 C UNK 0 -0.528 0.164 1.123 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.054 0.120 -0.083 0.00 0.00 C+0 HETATM 18 O UNK 0 -0.201 -0.229 -1.111 0.00 0.00 O+0 HETATM 19 C UNK 0 1.129 0.328 -1.183 0.00 0.00 C+0 HETATM 20 C UNK 0 0.925 1.687 -1.865 0.00 0.00 C+0 HETATM 21 C UNK 0 1.887 -0.496 -2.163 0.00 0.00 C+0 HETATM 22 C UNK 0 2.782 -1.531 -1.573 0.00 0.00 C+0 HETATM 23 C UNK 0 3.621 -1.085 -0.457 0.00 0.00 C+0 HETATM 24 O UNK 0 4.972 -0.823 -0.792 0.00 0.00 O+0 HETATM 25 C UNK 0 5.764 -0.832 0.335 0.00 0.00 C+0 HETATM 26 C UNK 0 7.165 -0.437 -0.064 0.00 0.00 C+0 HETATM 27 C UNK 0 7.250 0.930 -0.689 0.00 0.00 C+0 HETATM 28 C UNK 0 7.766 -1.418 -1.048 0.00 0.00 C+0 HETATM 29 O UNK 0 8.024 -0.428 1.055 0.00 0.00 O+0 HETATM 30 C UNK 0 5.305 0.013 1.458 0.00 0.00 C+0 HETATM 31 C UNK 0 3.786 0.076 1.593 0.00 0.00 C+0 HETATM 32 O UNK 0 3.444 -1.231 2.029 0.00 0.00 O+0 HETATM 33 C UNK 0 3.182 0.206 0.226 0.00 0.00 C+0 HETATM 34 C UNK 0 3.863 1.406 -0.453 0.00 0.00 C+0 HETATM 35 C UNK 0 1.724 0.471 0.184 0.00 0.00 C+0 HETATM 36 C UNK 0 0.910 -0.182 1.280 0.00 0.00 C+0 HETATM 37 O UNK 0 1.281 0.312 2.537 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.468 0.439 -0.229 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.939 0.384 -1.416 0.00 0.00 O+0 HETATM 40 H UNK 0 -9.652 0.183 -0.113 0.00 0.00 H+0 HETATM 41 H UNK 0 -9.396 1.154 1.363 0.00 0.00 H+0 HETATM 42 H UNK 0 -9.909 -0.609 1.521 0.00 0.00 H+0 HETATM 43 H UNK 0 -7.545 -1.030 1.754 0.00 0.00 H+0 HETATM 44 H UNK 0 -8.092 0.857 -1.486 0.00 0.00 H+0 HETATM 45 H UNK 0 -6.680 1.939 -1.148 0.00 0.00 H+0 HETATM 46 H UNK 0 -8.144 2.077 -0.160 0.00 0.00 H+0 HETATM 47 H UNK 0 -5.469 -0.815 1.200 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.820 -2.203 -2.716 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.921 -3.748 -1.751 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.368 -3.157 -2.620 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.844 1.967 0.038 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.351 0.686 2.775 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.841 2.443 2.481 0.00 0.00 H+0 HETATM 54 H UNK 0 -6.417 1.779 1.865 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.371 1.126 2.997 0.00 0.00 H+0 HETATM 56 H UNK 0 0.768 2.491 -1.138 0.00 0.00 H+0 HETATM 57 H UNK 0 0.042 1.608 -2.532 0.00 0.00 H+0 HETATM 58 H UNK 0 1.778 1.887 -2.561 0.00 0.00 H+0 HETATM 59 H UNK 0 1.177 -1.049 -2.851 0.00 0.00 H+0 HETATM 60 H UNK 0 2.468 0.148 -2.892 0.00 0.00 H+0 HETATM 61 H UNK 0 2.126 -2.403 -1.281 0.00 0.00 H+0 HETATM 62 H UNK 0 3.419 -1.934 -2.398 0.00 0.00 H+0 HETATM 63 H UNK 0 3.693 -1.940 0.272 0.00 0.00 H+0 HETATM 64 H UNK 0 5.842 -1.917 0.646 0.00 0.00 H+0 HETATM 65 H UNK 0 7.035 1.753 0.034 0.00 0.00 H+0 HETATM 66 H UNK 0 6.705 1.023 -1.637 0.00 0.00 H+0 HETATM 67 H UNK 0 8.336 1.071 -0.953 0.00 0.00 H+0 HETATM 68 H UNK 0 7.392 -1.271 -2.082 0.00 0.00 H+0 HETATM 69 H UNK 0 8.870 -1.228 -1.087 0.00 0.00 H+0 HETATM 70 H UNK 0 7.662 -2.466 -0.706 0.00 0.00 H+0 HETATM 71 H UNK 0 7.998 0.457 1.500 0.00 0.00 H+0 HETATM 72 H UNK 0 5.793 1.003 1.559 0.00 0.00 H+0 HETATM 73 H UNK 0 5.648 -0.513 2.406 0.00 0.00 H+0 HETATM 74 H UNK 0 3.542 0.850 2.306 0.00 0.00 H+0 HETATM 75 H UNK 0 4.152 -1.604 2.607 0.00 0.00 H+0 HETATM 76 H UNK 0 3.114 2.235 -0.614 0.00 0.00 H+0 HETATM 77 H UNK 0 4.642 1.860 0.153 0.00 0.00 H+0 HETATM 78 H UNK 0 4.319 1.098 -1.414 0.00 0.00 H+0 HETATM 79 H UNK 0 1.625 1.577 0.434 0.00 0.00 H+0 HETATM 80 H UNK 0 1.036 -1.300 1.244 0.00 0.00 H+0 HETATM 81 H UNK 0 1.130 -0.458 3.174 0.00 0.00 H+0 CONECT 1 2 40 41 42 CONECT 2 1 3 43 CONECT 3 2 4 5 CONECT 4 3 44 45 46 CONECT 5 3 6 10 47 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 48 49 50 CONECT 9 7 CONECT 10 5 11 12 51 CONECT 11 10 52 53 54 CONECT 12 10 13 38 CONECT 13 12 14 55 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 36 CONECT 17 16 18 38 CONECT 18 17 19 CONECT 19 18 20 21 35 CONECT 20 19 56 57 58 CONECT 21 19 22 59 60 CONECT 22 21 23 61 62 CONECT 23 22 24 33 63 CONECT 24 23 25 CONECT 25 24 26 30 64 CONECT 26 25 27 28 29 CONECT 27 26 65 66 67 CONECT 28 26 68 69 70 CONECT 29 26 71 CONECT 30 25 31 72 73 CONECT 31 30 32 33 74 CONECT 32 31 75 CONECT 33 31 34 35 23 CONECT 34 33 76 77 78 CONECT 35 33 36 19 79 CONECT 36 35 37 16 80 CONECT 37 36 81 CONECT 38 17 39 12 CONECT 39 38 CONECT 40 1 CONECT 41 1 CONECT 42 1 CONECT 43 2 CONECT 44 4 CONECT 45 4 CONECT 46 4 CONECT 47 5 CONECT 48 8 CONECT 49 8 CONECT 50 8 CONECT 51 10 CONECT 52 11 CONECT 53 11 CONECT 54 11 CONECT 55 13 CONECT 56 20 CONECT 57 20 CONECT 58 20 CONECT 59 21 CONECT 60 21 CONECT 61 22 CONECT 62 22 CONECT 63 23 CONECT 64 25 CONECT 65 27 CONECT 66 27 CONECT 67 27 CONECT 68 28 CONECT 69 28 CONECT 70 28 CONECT 71 29 CONECT 72 30 CONECT 73 30 CONECT 74 31 CONECT 75 32 CONECT 76 34 CONECT 77 34 CONECT 78 34 CONECT 79 35 CONECT 80 36 CONECT 81 37 MASTER 0 0 0 0 0 0 0 0 81 0 168 0 END