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 3.221 6.196 -1.430 0.00 0.00 C+0 HETATM 2 C UNK 0 1.833 5.610 -1.340 0.00 0.00 C+0 HETATM 3 C UNK 0 1.189 5.574 -0.153 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.230 5.124 0.121 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.949 6.157 0.994 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.350 3.695 0.686 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.047 3.428 2.166 0.00 0.00 C+0 HETATM 8 C UNK 0 1.424 3.576 2.527 0.00 0.00 C+0 HETATM 9 O UNK 0 -0.442 2.044 2.383 0.00 0.00 O+0 HETATM 10 C UNK 0 -0.912 1.752 3.622 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.913 2.507 4.582 0.00 0.00 O+0 HETATM 12 C UNK 0 -1.495 0.397 3.700 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.576 -0.563 2.759 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.245 -1.813 3.162 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.639 -1.950 3.040 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.276 -3.129 3.439 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.513 -4.163 3.968 0.00 0.00 C+0 HETATM 18 O UNK 0 -4.076 -5.341 4.375 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.133 -4.027 4.098 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.395 -5.049 4.625 0.00 0.00 O+0 HETATM 21 C UNK 0 -1.490 -2.864 3.701 0.00 0.00 C+0 HETATM 22 N UNK 0 -1.012 -0.445 1.504 0.00 0.00 N+0 HETATM 23 C UNK 0 -1.139 -1.323 0.427 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.933 -2.256 0.365 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.103 -1.048 -0.693 0.00 0.00 C+0 HETATM 26 C UNK 0 1.172 -1.867 -0.384 0.00 0.00 C+0 HETATM 27 C UNK 0 2.426 -1.058 -0.553 0.00 0.00 C+0 HETATM 28 C UNK 0 3.116 -0.359 0.415 0.00 0.00 C+0 HETATM 29 Br UNK 0 2.670 -0.198 2.256 0.00 0.00 Br+0 HETATM 30 N UNK 0 4.220 0.211 -0.149 0.00 0.00 N+0 HETATM 31 C UNK 0 4.269 -0.086 -1.490 0.00 0.00 C+0 HETATM 32 C UNK 0 5.212 0.277 -2.459 0.00 0.00 C+0 HETATM 33 C UNK 0 5.000 -0.170 -3.766 0.00 0.00 C+0 HETATM 34 C UNK 0 3.893 -0.950 -4.087 0.00 0.00 C+0 HETATM 35 C UNK 0 2.965 -1.312 -3.103 0.00 0.00 C+0 HETATM 36 C UNK 0 3.152 -0.873 -1.776 0.00 0.00 C+0 HETATM 37 N UNK 0 -0.614 -1.275 -2.077 0.00 0.00 N+0 HETATM 38 C UNK 0 -1.135 -2.601 -2.401 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.737 -0.306 -3.076 0.00 0.00 C+0 HETATM 40 O UNK 0 -1.159 -0.584 -4.204 0.00 0.00 O+0 HETATM 41 C UNK 0 -0.413 1.162 -2.731 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.622 1.759 -2.011 0.00 0.00 C+0 HETATM 43 N UNK 0 -0.145 1.945 -3.938 0.00 0.00 N+0 HETATM 44 C UNK 0 0.531 3.131 -4.040 0.00 0.00 C+0 HETATM 45 O UNK 0 0.512 3.751 -5.103 0.00 0.00 O+0 HETATM 46 C UNK 0 1.347 3.605 -2.841 0.00 0.00 C+0 HETATM 47 C UNK 0 2.779 3.106 -3.025 0.00 0.00 C+0 HETATM 48 C UNK 0 1.254 5.129 -2.665 0.00 0.00 C+0 HETATM 49 H UNK 0 3.596 6.526 -0.455 0.00 0.00 H+0 HETATM 50 H UNK 0 3.219 7.066 -2.094 0.00 0.00 H+0 HETATM 51 H UNK 0 3.931 5.463 -1.822 0.00 0.00 H+0 HETATM 52 H UNK 0 1.720 5.963 0.716 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.773 5.113 -0.832 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.980 7.132 0.495 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.983 5.850 1.186 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.450 6.297 1.959 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.389 3.375 0.520 0.00 0.00 H+0 HETATM 58 H UNK 0 0.248 3.001 0.084 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.662 4.086 2.789 0.00 0.00 H+0 HETATM 60 H UNK 0 2.060 3.031 1.821 0.00 0.00 H+0 HETATM 61 H UNK 0 1.731 4.624 2.537 0.00 0.00 H+0 HETATM 62 H UNK 0 1.628 3.160 3.519 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.927 0.215 4.683 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.230 -1.143 2.612 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.351 -3.218 3.324 0.00 0.00 H+0 HETATM 66 H UNK 0 -5.026 -5.307 4.169 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.050 -5.751 4.811 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.412 -2.784 3.808 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.454 0.395 1.366 0.00 0.00 H+0 HETATM 70 H UNK 0 0.147 0.009 -0.595 0.00 0.00 H+0 HETATM 71 H UNK 0 1.247 -2.752 -1.026 0.00 0.00 H+0 HETATM 72 H UNK 0 1.144 -2.261 0.640 0.00 0.00 H+0 HETATM 73 H UNK 0 4.906 0.761 0.348 0.00 0.00 H+0 HETATM 74 H UNK 0 6.076 0.887 -2.215 0.00 0.00 H+0 HETATM 75 H UNK 0 5.710 0.098 -4.545 0.00 0.00 H+0 HETATM 76 H UNK 0 3.745 -1.285 -5.111 0.00 0.00 H+0 HETATM 77 H UNK 0 2.110 -1.927 -3.372 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.222 -2.583 -2.279 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.707 -3.370 -1.754 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.909 -2.858 -3.440 0.00 0.00 H+0 HETATM 81 H UNK 0 0.488 1.194 -2.121 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.496 2.833 -1.843 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.533 1.634 -2.609 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.800 1.279 -1.046 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.594 1.627 -4.793 0.00 0.00 H+0 HETATM 86 H UNK 0 0.951 3.152 -1.935 0.00 0.00 H+0 HETATM 87 H UNK 0 3.355 3.204 -2.101 0.00 0.00 H+0 HETATM 88 H UNK 0 2.787 2.050 -3.310 0.00 0.00 H+0 HETATM 89 H UNK 0 3.295 3.660 -3.816 0.00 0.00 H+0 HETATM 90 H UNK 0 0.208 5.448 -2.744 0.00 0.00 H+0 HETATM 91 H UNK 0 1.760 5.638 -3.496 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 CONECT 13 22 12 14 CONECT 14 13 15 21 CONECT 15 14 16 64 CONECT 16 15 17 65 CONECT 17 16 19 18 CONECT 18 17 66 CONECT 19 17 21 20 CONECT 20 19 67 CONECT 21 19 14 68 CONECT 22 23 13 69 CONECT 23 25 24 22 CONECT 24 23 CONECT 25 37 23 26 70 CONECT 26 25 27 71 72 CONECT 27 28 36 26 CONECT 28 30 27 29 CONECT 29 28 CONECT 30 31 28 73 CONECT 31 36 30 32 CONECT 32 33 31 74 CONECT 33 34 32 75 CONECT 34 35 33 76 CONECT 35 34 36 77 CONECT 36 31 35 27 CONECT 37 39 25 38 CONECT 38 37 78 79 80 CONECT 39 40 37 41 CONECT 40 39 CONECT 41 42 43 39 81 CONECT 42 41 82 83 84 CONECT 43 44 41 85 CONECT 44 46 45 43 CONECT 45 44 CONECT 46 48 44 47 86 CONECT 47 46 87 88 89 CONECT 48 2 46 90 91 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 15 CONECT 65 16 CONECT 66 18 CONECT 67 20 CONECT 68 21 CONECT 69 22 CONECT 70 25 CONECT 71 26 CONECT 72 26 CONECT 73 30 CONECT 74 32 CONECT 75 33 CONECT 76 34 CONECT 77 35 CONECT 78 38 CONECT 79 38 CONECT 80 38 CONECT 81 41 CONECT 82 42 CONECT 83 42 CONECT 84 42 CONECT 85 43 CONECT 86 46 CONECT 87 47 CONECT 88 47 CONECT 89 47 CONECT 90 48 CONECT 91 48 MASTER 0 0 0 0 0 0 0 0 91 0 188 0 END