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 5.112 -0.718 -5.256 0.00 0.00 C+0 HETATM 2 C UNK 0 6.011 -1.295 -4.170 0.00 0.00 C+0 HETATM 3 C UNK 0 5.528 -0.944 -2.765 0.00 0.00 C+0 HETATM 4 C UNK 0 4.232 -1.637 -2.412 0.00 0.00 C+0 HETATM 5 O UNK 0 3.928 -2.765 -2.771 0.00 0.00 O+0 HETATM 6 O UNK 0 3.486 -0.826 -1.612 0.00 0.00 O+0 HETATM 7 C UNK 0 2.162 -1.300 -1.239 0.00 0.00 C+0 HETATM 8 C UNK 0 2.334 -1.824 0.166 0.00 0.00 C+0 HETATM 9 C UNK 0 1.918 -3.004 0.654 0.00 0.00 C+0 HETATM 10 C UNK 0 1.072 -3.949 -0.051 0.00 0.00 C+0 HETATM 11 C UNK 0 1.761 -4.925 -0.967 0.00 0.00 C+0 HETATM 12 Br UNK 0 2.367 -6.445 0.095 0.00 0.00 Br+0 HETATM 13 C UNK 0 -0.269 -3.917 0.086 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.039 -3.074 1.066 0.00 0.00 C+0 HETATM 15 O UNK 0 -2.057 -3.908 1.644 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.059 -3.103 2.109 0.00 0.00 C+0 HETATM 17 O UNK 0 -3.994 -3.506 2.780 0.00 0.00 O+0 HETATM 18 C UNK 0 -2.825 -1.680 1.669 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.124 -0.983 1.293 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.830 -1.878 0.510 0.00 0.00 C+0 HETATM 21 O UNK 0 -2.569 -2.255 -0.670 0.00 0.00 O+0 HETATM 22 C UNK 0 -0.961 -0.596 0.229 0.00 0.00 C+0 HETATM 23 O UNK 0 0.042 -0.456 1.252 0.00 0.00 O+0 HETATM 24 C UNK 0 -0.190 0.433 2.259 0.00 0.00 C+0 HETATM 25 C UNK 0 0.932 0.391 3.251 0.00 0.00 C+0 HETATM 26 O UNK 0 -1.174 1.148 2.359 0.00 0.00 O+0 HETATM 27 C UNK 0 -0.364 -0.552 -1.234 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.408 0.203 -2.159 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.486 1.725 -1.963 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.171 -0.123 -3.645 0.00 0.00 C+0 HETATM 31 O UNK 0 -1.391 -1.523 -3.892 0.00 0.00 O+0 HETATM 32 C UNK 0 -2.682 -1.894 -4.096 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.763 -3.379 -4.272 0.00 0.00 C+0 HETATM 34 O UNK 0 -3.644 -1.140 -4.134 0.00 0.00 O+0 HETATM 35 C UNK 0 0.232 0.225 -4.028 0.00 0.00 C+0 HETATM 36 O UNK 0 1.197 -0.820 -3.893 0.00 0.00 O+0 HETATM 37 C UNK 0 1.327 0.287 -2.983 0.00 0.00 C+0 HETATM 38 C UNK 0 1.142 -0.101 -1.490 0.00 0.00 C+0 HETATM 39 C UNK 0 1.570 1.137 -0.664 0.00 0.00 C+0 HETATM 40 H UNK 0 4.100 -1.130 -5.199 0.00 0.00 H+0 HETATM 41 H UNK 0 5.516 -0.955 -6.245 0.00 0.00 H+0 HETATM 42 H UNK 0 5.044 0.372 -5.171 0.00 0.00 H+0 HETATM 43 H UNK 0 6.075 -2.382 -4.294 0.00 0.00 H+0 HETATM 44 H UNK 0 7.023 -0.896 -4.305 0.00 0.00 H+0 HETATM 45 H UNK 0 6.274 -1.248 -2.024 0.00 0.00 H+0 HETATM 46 H UNK 0 5.397 0.142 -2.686 0.00 0.00 H+0 HETATM 47 H UNK 0 1.867 -2.122 -1.901 0.00 0.00 H+0 HETATM 48 H UNK 0 2.938 -1.201 0.823 0.00 0.00 H+0 HETATM 49 H UNK 0 2.197 -3.291 1.668 0.00 0.00 H+0 HETATM 50 H UNK 0 1.089 -5.331 -1.730 0.00 0.00 H+0 HETATM 51 H UNK 0 2.642 -4.510 -1.457 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.866 -4.618 -0.497 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.396 -2.782 1.905 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.358 -1.173 2.520 0.00 0.00 H+0 HETATM 55 H UNK 0 -4.753 -0.849 2.181 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.934 0.006 0.866 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.711 -1.566 0.575 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.970 -3.133 -0.528 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.647 0.252 0.301 0.00 0.00 H+0 HETATM 60 H UNK 0 1.862 0.720 2.781 0.00 0.00 H+0 HETATM 61 H UNK 0 0.704 1.063 4.083 0.00 0.00 H+0 HETATM 62 H UNK 0 1.040 -0.623 3.645 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.385 -1.591 -1.587 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.404 -0.178 -1.905 0.00 0.00 H+0 HETATM 65 H UNK 0 -2.349 2.124 -2.507 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.604 2.244 -2.347 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.615 2.001 -0.913 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.846 0.469 -4.277 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.809 -3.672 -4.404 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.201 -3.678 -5.161 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.372 -3.880 -3.383 0.00 0.00 H+0 HETATM 72 H UNK 0 0.296 0.856 -4.904 0.00 0.00 H+0 HETATM 73 H UNK 0 2.166 0.948 -3.167 0.00 0.00 H+0 HETATM 74 H UNK 0 0.809 1.919 -0.662 0.00 0.00 H+0 HETATM 75 H UNK 0 2.484 1.592 -1.067 0.00 0.00 H+0 HETATM 76 H UNK 0 1.797 0.897 0.374 0.00 0.00 H+0 CONECT 1 2 40 41 42 CONECT 2 3 1 43 44 CONECT 3 4 2 45 46 CONECT 4 6 3 5 CONECT 5 4 CONECT 6 7 4 CONECT 7 8 38 6 47 CONECT 8 7 9 48 CONECT 9 10 8 49 CONECT 10 13 11 9 CONECT 11 10 12 50 51 CONECT 12 11 CONECT 13 10 14 52 CONECT 14 20 15 13 53 CONECT 15 16 14 CONECT 16 18 15 17 CONECT 17 16 CONECT 18 20 16 19 54 CONECT 19 18 55 56 57 CONECT 20 14 18 21 22 CONECT 21 20 58 CONECT 22 27 23 20 59 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 60 61 62 CONECT 26 24 CONECT 27 22 28 38 63 CONECT 28 27 30 29 64 CONECT 29 28 65 66 67 CONECT 30 35 28 31 68 CONECT 31 32 30 CONECT 32 31 33 34 CONECT 33 32 69 70 71 CONECT 34 32 CONECT 35 37 30 36 72 CONECT 36 37 35 CONECT 37 38 35 36 73 CONECT 38 7 37 39 27 CONECT 39 38 74 75 76 CONECT 40 1 CONECT 41 1 CONECT 42 1 CONECT 43 2 CONECT 44 2 CONECT 45 3 CONECT 46 3 CONECT 47 7 CONECT 48 8 CONECT 49 9 CONECT 50 11 CONECT 51 11 CONECT 52 13 CONECT 53 14 CONECT 54 18 CONECT 55 19 CONECT 56 19 CONECT 57 19 CONECT 58 21 CONECT 59 22 CONECT 60 25 CONECT 61 25 CONECT 62 25 CONECT 63 27 CONECT 64 28 CONECT 65 29 CONECT 66 29 CONECT 67 29 CONECT 68 30 CONECT 69 33 CONECT 70 33 CONECT 71 33 CONECT 72 35 CONECT 73 37 CONECT 74 39 CONECT 75 39 CONECT 76 39 MASTER 0 0 0 0 0 0 0 0 76 0 158 0 END