HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 3.236 -1.428 0.647 0.00 0.00 C+0 HETATM 2 C UNK 0 3.397 -0.244 -0.221 0.00 0.00 C+0 HETATM 3 C UNK 0 4.853 0.248 0.001 0.00 0.00 C+0 HETATM 4 C UNK 0 2.479 0.915 -0.030 0.00 0.00 C+0 HETATM 5 C UNK 0 2.505 1.524 1.284 0.00 0.00 C+0 HETATM 6 C UNK 0 1.456 1.924 1.939 0.00 0.00 C+0 HETATM 7 C UNK 0 0.144 1.757 1.329 0.00 0.00 C+0 HETATM 8 O UNK 0 -0.760 2.517 1.688 0.00 0.00 O+0 HETATM 9 C UNK 0 0.062 0.662 0.324 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.285 0.320 -0.131 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.325 0.243 0.980 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.237 1.470 0.894 0.00 0.00 C+0 HETATM 13 O UNK 0 -1.734 0.135 2.238 0.00 0.00 O+0 HETATM 14 C UNK 0 -3.258 -0.942 0.841 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.449 -0.589 1.540 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.709 -1.109 -0.587 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.552 -1.394 -1.471 0.00 0.00 C+0 HETATM 18 Br UNK 0 -2.543 -3.221 -2.066 0.00 0.00 Br+0 HETATM 19 C UNK 0 -1.220 -1.003 -0.871 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.739 -2.145 -0.017 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.265 -0.868 -2.033 0.00 0.00 C+0 HETATM 22 C UNK 0 1.070 -0.335 -1.652 0.00 0.00 C+0 HETATM 23 C UNK 0 1.117 0.818 -0.730 0.00 0.00 C+0 HETATM 24 C UNK 0 0.940 2.163 -1.435 0.00 0.00 C+0 HETATM 25 Br UNK 0 -0.600 2.439 -2.457 0.00 0.00 Br+0 HETATM 26 H UNK 0 4.125 -1.592 1.339 0.00 0.00 H+0 HETATM 27 H UNK 0 3.245 -2.406 0.072 0.00 0.00 H+0 HETATM 28 H UNK 0 2.377 -1.465 1.314 0.00 0.00 H+0 HETATM 29 H UNK 0 3.435 -0.567 -1.284 0.00 0.00 H+0 HETATM 30 H UNK 0 4.949 0.409 1.084 0.00 0.00 H+0 HETATM 31 H UNK 0 5.563 -0.542 -0.286 0.00 0.00 H+0 HETATM 32 H UNK 0 5.003 1.209 -0.509 0.00 0.00 H+0 HETATM 33 H UNK 0 3.022 1.716 -0.686 0.00 0.00 H+0 HETATM 34 H UNK 0 3.479 1.655 1.756 0.00 0.00 H+0 HETATM 35 H UNK 0 1.539 2.398 2.954 0.00 0.00 H+0 HETATM 36 H UNK 0 0.429 -0.240 0.923 0.00 0.00 H+0 HETATM 37 H UNK 0 -1.761 0.997 -0.878 0.00 0.00 H+0 HETATM 38 H UNK 0 -2.929 2.172 0.095 0.00 0.00 H+0 HETATM 39 H UNK 0 -3.405 1.944 1.884 0.00 0.00 H+0 HETATM 40 H UNK 0 -4.287 1.181 0.574 0.00 0.00 H+0 HETATM 41 H UNK 0 -2.395 0.454 2.916 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.932 -1.853 1.332 0.00 0.00 H+0 HETATM 43 H UNK 0 -4.255 -0.483 2.514 0.00 0.00 H+0 HETATM 44 H UNK 0 -4.300 -0.236 -0.883 0.00 0.00 H+0 HETATM 45 H UNK 0 -4.377 -2.019 -0.590 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.667 -0.755 -2.396 0.00 0.00 H+0 HETATM 47 H UNK 0 0.254 -2.548 -0.377 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.597 -1.935 1.036 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.412 -3.032 -0.088 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.762 -0.292 -2.836 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.135 -1.886 -2.451 0.00 0.00 H+0 HETATM 52 H UNK 0 1.573 -1.195 -1.109 0.00 0.00 H+0 HETATM 53 H UNK 0 1.635 -0.196 -2.598 0.00 0.00 H+0 HETATM 54 H UNK 0 1.170 2.989 -0.690 0.00 0.00 H+0 HETATM 55 H UNK 0 1.832 2.260 -2.135 0.00 0.00 H+0 CONECT 1 2 26 27 28 CONECT 2 1 3 4 29 CONECT 3 2 30 31 32 CONECT 4 2 5 23 33 CONECT 5 4 6 34 CONECT 6 5 7 35 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 23 36 CONECT 10 9 11 19 37 CONECT 11 10 12 13 14 CONECT 12 11 38 39 40 CONECT 13 11 41 CONECT 14 11 15 16 42 CONECT 15 14 43 CONECT 16 14 17 44 45 CONECT 17 16 18 19 46 CONECT 18 17 CONECT 19 17 20 21 10 CONECT 20 19 47 48 49 CONECT 21 19 22 50 51 CONECT 22 21 23 52 53 CONECT 23 22 24 4 9 CONECT 24 23 25 54 55 CONECT 25 24 CONECT 26 1 CONECT 27 1 CONECT 28 1 CONECT 29 2 CONECT 30 3 CONECT 31 3 CONECT 32 3 CONECT 33 4 CONECT 34 5 CONECT 35 6 CONECT 36 9 CONECT 37 10 CONECT 38 12 CONECT 39 12 CONECT 40 12 CONECT 41 13 CONECT 42 14 CONECT 43 15 CONECT 44 16 CONECT 45 16 CONECT 46 17 CONECT 47 20 CONECT 48 20 CONECT 49 20 CONECT 50 21 CONECT 51 21 CONECT 52 22 CONECT 53 22 CONECT 54 24 CONECT 55 24 MASTER 0 0 0 0 0 0 0 0 55 0 114 0 END