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 4.261 1.231 5.312 0.00 0.00 C+0 HETATM 2 C UNK 0 3.490 0.976 4.038 0.00 0.00 C+0 HETATM 3 C UNK 0 4.114 1.074 2.846 0.00 0.00 C+0 HETATM 4 C UNK 0 3.507 0.993 1.458 0.00 0.00 C+0 HETATM 5 C UNK 0 4.281 -0.023 0.616 0.00 0.00 C+0 HETATM 6 C UNK 0 3.530 2.409 0.844 0.00 0.00 C+0 HETATM 7 C UNK 0 2.773 2.544 -0.486 0.00 0.00 C+0 HETATM 8 C UNK 0 2.869 3.986 -0.986 0.00 0.00 C+0 HETATM 9 O UNK 0 1.389 2.210 -0.251 0.00 0.00 O+0 HETATM 10 C UNK 0 0.652 1.899 -1.354 0.00 0.00 C+0 HETATM 11 O UNK 0 1.083 1.873 -2.499 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.776 1.620 -0.951 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.594 1.102 -2.142 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.108 1.049 -1.978 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.763 1.337 -0.766 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.160 1.313 -0.678 0.00 0.00 C+0 HETATM 17 C UNK 0 -5.908 0.998 -1.799 0.00 0.00 C+0 HETATM 18 O UNK 0 -7.270 0.965 -1.716 0.00 0.00 O+0 HETATM 19 C UNK 0 -5.283 0.693 -3.001 0.00 0.00 C+0 HETATM 20 O UNK 0 -6.073 0.349 -4.063 0.00 0.00 O+0 HETATM 21 C UNK 0 -3.896 0.719 -3.101 0.00 0.00 C+0 HETATM 22 N UNK 0 -1.063 -0.150 -2.688 0.00 0.00 N+0 HETATM 23 C UNK 0 -1.009 -1.416 -2.194 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.368 -2.244 -2.852 0.00 0.00 O+0 HETATM 25 C UNK 0 -1.599 -1.764 -0.813 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.358 -3.110 -0.906 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.710 -2.984 -1.550 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.905 -2.680 -0.930 0.00 0.00 C+0 HETATM 29 Br UNK 0 -5.200 -2.343 0.918 0.00 0.00 Br+0 HETATM 30 N UNK 0 -5.898 -2.642 -1.862 0.00 0.00 N+0 HETATM 31 C UNK 0 -5.391 -2.942 -3.103 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.038 -3.030 -4.342 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.260 -3.346 -5.458 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.892 -3.570 -5.335 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.263 -3.484 -4.087 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.021 -3.160 -2.942 0.00 0.00 C+0 HETATM 37 N UNK 0 -0.550 -1.838 0.252 0.00 0.00 N+0 HETATM 38 C UNK 0 0.771 -2.342 -0.123 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.943 -1.525 1.553 0.00 0.00 C+0 HETATM 40 O UNK 0 -2.043 -1.012 1.782 0.00 0.00 O+0 HETATM 41 C UNK 0 -0.003 -1.879 2.731 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.015 -3.394 2.938 0.00 0.00 C+0 HETATM 43 N UNK 0 -0.503 -1.229 3.946 0.00 0.00 N+0 HETATM 44 C UNK 0 0.124 -0.701 5.028 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.580 -0.304 5.961 0.00 0.00 O+0 HETATM 46 C UNK 0 1.638 -0.509 5.085 0.00 0.00 C+0 HETATM 47 C UNK 0 2.443 -1.779 4.830 0.00 0.00 C+0 HETATM 48 C UNK 0 2.009 0.709 4.218 0.00 0.00 C+0 HETATM 49 H UNK 0 5.297 1.527 5.117 0.00 0.00 H+0 HETATM 50 H UNK 0 3.791 2.042 5.879 0.00 0.00 H+0 HETATM 51 H UNK 0 4.289 0.339 5.944 0.00 0.00 H+0 HETATM 52 H UNK 0 5.183 1.299 2.849 0.00 0.00 H+0 HETATM 53 H UNK 0 2.473 0.643 1.504 0.00 0.00 H+0 HETATM 54 H UNK 0 5.314 0.301 0.442 0.00 0.00 H+0 HETATM 55 H UNK 0 3.805 -0.172 -0.358 0.00 0.00 H+0 HETATM 56 H UNK 0 4.314 -0.998 1.115 0.00 0.00 H+0 HETATM 57 H UNK 0 3.076 3.102 1.567 0.00 0.00 H+0 HETATM 58 H UNK 0 4.570 2.733 0.704 0.00 0.00 H+0 HETATM 59 H UNK 0 3.207 1.865 -1.228 0.00 0.00 H+0 HETATM 60 H UNK 0 2.391 4.676 -0.282 0.00 0.00 H+0 HETATM 61 H UNK 0 3.911 4.288 -1.123 0.00 0.00 H+0 HETATM 62 H UNK 0 2.351 4.109 -1.943 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.772 0.902 -0.128 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.192 2.567 -0.588 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.441 1.830 -2.952 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.207 1.569 0.140 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.654 1.530 0.265 0.00 0.00 H+0 HETATM 68 H UNK 0 -7.562 0.802 -2.635 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.509 -0.139 -4.692 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.416 0.484 -4.047 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.565 -0.066 -3.567 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.311 -0.994 -0.521 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.489 -3.532 0.099 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.763 -3.856 -1.448 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.859 -2.406 -1.663 0.00 0.00 H+0 HETATM 76 H UNK 0 -7.106 -2.861 -4.436 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.732 -3.430 -6.434 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.303 -3.825 -6.213 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.195 -3.673 -4.010 0.00 0.00 H+0 HETATM 80 H UNK 0 1.455 -2.412 0.721 0.00 0.00 H+0 HETATM 81 H UNK 0 1.224 -1.656 -0.843 0.00 0.00 H+0 HETATM 82 H UNK 0 0.660 -3.337 -0.564 0.00 0.00 H+0 HETATM 83 H UNK 0 0.992 -1.496 2.517 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.039 -3.756 3.097 0.00 0.00 H+0 HETATM 85 H UNK 0 0.569 -3.687 3.814 0.00 0.00 H+0 HETATM 86 H UNK 0 0.384 -3.933 2.075 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.517 -1.174 4.015 0.00 0.00 H+0 HETATM 88 H UNK 0 1.845 -0.239 6.131 0.00 0.00 H+0 HETATM 89 H UNK 0 3.444 -1.699 5.267 0.00 0.00 H+0 HETATM 90 H UNK 0 1.964 -2.646 5.296 0.00 0.00 H+0 HETATM 91 H UNK 0 2.585 -1.989 3.768 0.00 0.00 H+0 HETATM 92 H UNK 0 1.500 0.633 3.254 0.00 0.00 H+0 HETATM 93 H UNK 0 1.566 1.605 4.678 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 3 1 48 CONECT 3 4 2 52 CONECT 4 3 5 6 53 CONECT 5 4 54 55 56 CONECT 6 7 4 57 58 CONECT 7 8 6 9 59 CONECT 8 7 60 61 62 CONECT 9 10 7 CONECT 10 11 12 9 CONECT 11 10 CONECT 12 10 13 63 64 CONECT 13 22 12 14 65 CONECT 14 13 15 21 CONECT 15 14 16 66 CONECT 16 15 17 67 CONECT 17 16 19 18 CONECT 18 17 68 CONECT 19 17 21 20 CONECT 20 19 69 CONECT 21 19 14 70 CONECT 22 23 13 71 CONECT 23 25 24 22 CONECT 24 23 CONECT 25 37 23 26 72 CONECT 26 25 27 73 74 CONECT 27 28 36 26 CONECT 28 30 27 29 CONECT 29 28 CONECT 30 31 28 75 CONECT 31 36 30 32 CONECT 32 33 31 76 CONECT 33 34 32 77 CONECT 34 35 33 78 CONECT 35 34 36 79 CONECT 36 31 35 27 CONECT 37 39 25 38 CONECT 38 37 80 81 82 CONECT 39 40 37 41 CONECT 40 39 CONECT 41 42 43 39 83 CONECT 42 41 84 85 86 CONECT 43 44 41 87 CONECT 44 46 45 43 CONECT 45 44 CONECT 46 48 44 47 88 CONECT 47 46 89 90 91 CONECT 48 2 46 92 93 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 3 CONECT 53 4 CONECT 54 5 CONECT 55 5 CONECT 56 5 CONECT 57 6 CONECT 58 6 CONECT 59 7 CONECT 60 8 CONECT 61 8 CONECT 62 8 CONECT 63 12 CONECT 64 12 CONECT 65 13 CONECT 66 15 CONECT 67 16 CONECT 68 18 CONECT 69 20 CONECT 70 21 CONECT 71 22 CONECT 72 25 CONECT 73 26 CONECT 74 26 CONECT 75 30 CONECT 76 32 CONECT 77 33 CONECT 78 34 CONECT 79 35 CONECT 80 38 CONECT 81 38 CONECT 82 38 CONECT 83 41 CONECT 84 42 CONECT 85 42 CONECT 86 42 CONECT 87 43 CONECT 88 46 CONECT 89 47 CONECT 90 47 CONECT 91 47 CONECT 92 48 CONECT 93 48 MASTER 0 0 0 0 0 0 0 0 93 0 192 0 END