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 -7.194 1.773 -2.522 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.848 2.026 -1.948 0.00 0.00 C+0 HETATM 3 O UNK 0 -5.603 3.130 -1.401 0.00 0.00 O+0 HETATM 4 O UNK 0 -4.859 1.063 -2.004 0.00 0.00 O+0 HETATM 5 C UNK 0 -3.622 1.368 -1.442 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.605 0.186 -1.589 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.466 0.706 -0.974 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.364 1.122 -1.669 0.00 0.00 C+0 HETATM 9 C UNK 0 0.700 1.721 -0.946 0.00 0.00 C+0 HETATM 10 C UNK 0 0.498 1.899 0.473 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.723 2.499 0.852 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.107 2.696 2.134 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.268 2.290 3.197 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.669 2.497 4.473 0.00 0.00 O+0 HETATM 15 C UNK 0 0.900 1.714 2.848 0.00 0.00 C+0 HETATM 16 C UNK 0 1.313 1.510 1.515 0.00 0.00 C+0 HETATM 17 O UNK 0 2.526 0.933 1.268 0.00 0.00 O+0 HETATM 18 C UNK 0 3.292 0.210 2.148 0.00 0.00 C+0 HETATM 19 C UNK 0 4.791 0.639 2.155 0.00 0.00 C+0 HETATM 20 O UNK 0 5.290 0.614 0.865 0.00 0.00 O+0 HETATM 21 C UNK 0 5.026 1.663 -0.033 0.00 0.00 C+0 HETATM 22 C UNK 0 5.510 1.634 -1.411 0.00 0.00 C+0 HETATM 23 O UNK 0 4.359 2.600 0.436 0.00 0.00 O+0 HETATM 24 C UNK 0 2.827 0.418 3.546 0.00 0.00 C+0 HETATM 25 C UNK 0 1.765 1.096 3.837 0.00 0.00 C+0 HETATM 26 O UNK 0 1.479 1.211 5.226 0.00 0.00 O+0 HETATM 27 C UNK 0 3.584 -0.300 4.609 0.00 0.00 C+0 HETATM 28 O UNK 0 3.725 0.197 5.718 0.00 0.00 O+0 HETATM 29 C UNK 0 4.153 -1.641 4.261 0.00 0.00 C+0 HETATM 30 C UNK 0 3.470 -2.179 3.039 0.00 0.00 C+0 HETATM 31 C UNK 0 2.111 -2.804 3.409 0.00 0.00 C+0 HETATM 32 C UNK 0 3.349 -1.273 1.882 0.00 0.00 C+0 HETATM 33 O UNK 0 2.311 -1.676 0.988 0.00 0.00 O+0 HETATM 34 C UNK 0 2.559 -2.131 -0.305 0.00 0.00 C+0 HETATM 35 C UNK 0 1.496 -2.555 -1.247 0.00 0.00 C+0 HETATM 36 O UNK 0 3.763 -2.181 -0.679 0.00 0.00 O+0 HETATM 37 C UNK 0 1.753 2.106 -1.699 0.00 0.00 C+0 HETATM 38 C UNK 0 1.781 1.920 -3.094 0.00 0.00 C+0 HETATM 39 C UNK 0 0.737 1.342 -3.741 0.00 0.00 C+0 HETATM 40 O UNK 0 0.766 1.160 -5.124 0.00 0.00 O+0 HETATM 41 C UNK 0 -0.341 0.943 -3.016 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.458 0.336 -3.739 0.00 0.00 C+0 HETATM 43 O UNK 0 -1.455 0.123 -5.113 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.515 -0.022 -3.040 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.643 -0.713 -3.718 0.00 0.00 C+0 HETATM 46 O UNK 0 -3.958 -0.381 -4.872 0.00 0.00 O+0 HETATM 47 C UNK 0 -4.351 -1.790 -2.970 0.00 0.00 C+0 HETATM 48 C UNK 0 -3.354 -2.193 -1.870 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.122 -2.652 -2.575 0.00 0.00 C+0 HETATM 50 C UNK 0 -3.196 -1.027 -0.962 0.00 0.00 C+0 HETATM 51 O UNK 0 -2.497 -1.284 0.222 0.00 0.00 O+0 HETATM 52 C UNK 0 -3.085 -1.182 1.463 0.00 0.00 C+0 HETATM 53 C UNK 0 -2.324 -1.460 2.713 0.00 0.00 C+0 HETATM 54 O UNK 0 -4.293 -0.841 1.462 0.00 0.00 O+0 HETATM 55 H UNK 0 -7.121 1.172 -3.450 0.00 0.00 H+0 HETATM 56 H UNK 0 -7.782 1.188 -1.761 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.697 2.751 -2.678 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.673 1.576 -0.356 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.105 2.210 -1.942 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.358 2.809 0.006 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.040 3.156 2.413 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.254 2.309 5.310 0.00 0.00 H+0 HETATM 63 H UNK 0 5.318 -0.091 2.752 0.00 0.00 H+0 HETATM 64 H UNK 0 4.894 1.626 2.646 0.00 0.00 H+0 HETATM 65 H UNK 0 6.571 1.283 -1.491 0.00 0.00 H+0 HETATM 66 H UNK 0 4.892 0.899 -1.981 0.00 0.00 H+0 HETATM 67 H UNK 0 5.351 2.626 -1.870 0.00 0.00 H+0 HETATM 68 H UNK 0 1.325 0.363 5.760 0.00 0.00 H+0 HETATM 69 H UNK 0 3.760 -2.306 5.112 0.00 0.00 H+0 HETATM 70 H UNK 0 5.223 -1.732 4.319 0.00 0.00 H+0 HETATM 71 H UNK 0 4.085 -3.080 2.725 0.00 0.00 H+0 HETATM 72 H UNK 0 1.651 -2.254 4.254 0.00 0.00 H+0 HETATM 73 H UNK 0 2.197 -3.889 3.618 0.00 0.00 H+0 HETATM 74 H UNK 0 1.491 -2.715 2.490 0.00 0.00 H+0 HETATM 75 H UNK 0 4.288 -1.428 1.259 0.00 0.00 H+0 HETATM 76 H UNK 0 1.314 -1.840 -2.066 0.00 0.00 H+0 HETATM 77 H UNK 0 0.549 -2.772 -0.725 0.00 0.00 H+0 HETATM 78 H UNK 0 1.850 -3.517 -1.718 0.00 0.00 H+0 HETATM 79 H UNK 0 2.575 2.592 -1.228 0.00 0.00 H+0 HETATM 80 H UNK 0 2.636 2.235 -3.672 0.00 0.00 H+0 HETATM 81 H UNK 0 1.548 1.442 -5.693 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.560 -0.763 -5.561 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.494 -2.675 -3.638 0.00 0.00 H+0 HETATM 84 H UNK 0 -5.287 -1.517 -2.514 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.879 -3.019 -1.328 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.196 -2.200 -2.230 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.111 -3.784 -2.561 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.147 -2.446 -3.692 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.248 -0.751 -0.648 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.458 -2.118 2.530 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.997 -0.471 3.121 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.024 -1.929 3.452 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 58 59 CONECT 6 5 7 44 50 CONECT 7 6 8 CONECT 8 7 9 41 CONECT 9 8 10 37 CONECT 10 9 11 16 CONECT 11 10 12 60 CONECT 12 11 13 61 CONECT 13 12 14 15 CONECT 14 13 62 CONECT 15 13 16 25 CONECT 16 15 17 10 CONECT 17 16 18 CONECT 18 17 19 24 32 CONECT 19 18 20 63 64 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 65 66 67 CONECT 23 21 CONECT 24 18 25 27 CONECT 25 24 26 15 CONECT 26 25 68 CONECT 27 24 28 29 CONECT 28 27 CONECT 29 27 30 69 70 CONECT 30 29 31 32 71 CONECT 31 30 72 73 74 CONECT 32 30 33 18 75 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 76 77 78 CONECT 36 34 CONECT 37 9 38 79 CONECT 38 37 39 80 CONECT 39 38 40 41 CONECT 40 39 81 CONECT 41 39 42 8 CONECT 42 41 43 44 CONECT 43 42 82 CONECT 44 42 45 6 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 83 84 CONECT 48 47 49 50 85 CONECT 49 48 86 87 88 CONECT 50 48 51 6 89 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 90 91 92 CONECT 54 52 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 5 CONECT 59 5 CONECT 60 11 CONECT 61 12 CONECT 62 14 CONECT 63 19 CONECT 64 19 CONECT 65 22 CONECT 66 22 CONECT 67 22 CONECT 68 26 CONECT 69 29 CONECT 70 29 CONECT 71 30 CONECT 72 31 CONECT 73 31 CONECT 74 31 CONECT 75 32 CONECT 76 35 CONECT 77 35 CONECT 78 35 CONECT 79 37 CONECT 80 38 CONECT 81 40 CONECT 82 43 CONECT 83 47 CONECT 84 47 CONECT 85 48 CONECT 86 49 CONECT 87 49 CONECT 88 49 CONECT 89 50 CONECT 90 53 CONECT 91 53 CONECT 92 53 MASTER 0 0 0 0 0 0 0 0 92 0 194 0 END