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 6.229 -0.441 1.405 0.00 0.00 C+0 HETATM 2 C UNK 0 4.988 -0.593 1.893 0.00 0.00 C+0 HETATM 3 C UNK 0 4.200 0.517 2.506 0.00 0.00 C+0 HETATM 4 C UNK 0 4.405 -1.973 1.869 0.00 0.00 C+0 HETATM 5 O UNK 0 5.117 -2.956 2.072 0.00 0.00 O+0 HETATM 6 C UNK 0 2.931 -2.131 1.538 0.00 0.00 C+0 HETATM 7 C UNK 0 2.707 -2.032 0.027 0.00 0.00 C+0 HETATM 8 C UNK 0 1.254 -2.338 -0.505 0.00 0.00 C+0 HETATM 9 C UNK 0 1.305 -2.037 -2.024 0.00 0.00 C+0 HETATM 10 C UNK 0 0.186 -1.432 0.234 0.00 0.00 C+0 HETATM 11 C UNK 0 0.438 0.090 0.154 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.413 0.833 1.183 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.924 0.571 1.046 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.520 1.006 2.288 0.00 0.00 O+0 HETATM 15 C UNK 0 -2.566 1.420 -0.085 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.091 1.240 -0.229 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.466 2.623 -0.603 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.662 3.110 -1.102 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.780 4.493 -1.312 0.00 0.00 C+0 HETATM 20 C UNK 0 -7.024 5.099 -1.847 0.00 0.00 C+0 HETATM 21 O UNK 0 -7.209 6.285 -2.050 0.00 0.00 O+0 HETATM 22 O UNK 0 -7.979 4.189 -2.107 0.00 0.00 O+0 HETATM 23 C UNK 0 -4.704 5.352 -1.004 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.508 4.841 -0.490 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.417 3.477 -0.307 0.00 0.00 C+0 HETATM 26 O UNK 0 -2.316 2.838 0.197 0.00 0.00 O+0 HETATM 27 C UNK 0 -2.196 -0.949 0.951 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.319 -1.759 -0.058 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.790 -1.448 -1.495 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.561 -3.267 0.212 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.587 -4.183 -0.527 0.00 0.00 C+0 HETATM 32 C UNK 0 0.869 -3.827 -0.220 0.00 0.00 C+0 HETATM 33 Br UNK 0 2.005 -5.120 -1.170 0.00 0.00 Br+0 HETATM 34 H UNK 0 6.785 -1.281 0.995 0.00 0.00 H+0 HETATM 35 H UNK 0 6.729 0.522 1.413 0.00 0.00 H+0 HETATM 36 H UNK 0 3.364 0.801 1.861 0.00 0.00 H+0 HETATM 37 H UNK 0 3.803 0.215 3.481 0.00 0.00 H+0 HETATM 38 H UNK 0 4.814 1.409 2.666 0.00 0.00 H+0 HETATM 39 H UNK 0 2.355 -1.384 2.090 0.00 0.00 H+0 HETATM 40 H UNK 0 2.623 -3.107 1.927 0.00 0.00 H+0 HETATM 41 H UNK 0 3.009 -1.030 -0.305 0.00 0.00 H+0 HETATM 42 H UNK 0 3.426 -2.697 -0.468 0.00 0.00 H+0 HETATM 43 H UNK 0 2.207 -2.454 -2.486 0.00 0.00 H+0 HETATM 44 H UNK 0 0.463 -2.459 -2.573 0.00 0.00 H+0 HETATM 45 H UNK 0 1.334 -0.961 -2.223 0.00 0.00 H+0 HETATM 46 H UNK 0 0.312 -1.685 1.299 0.00 0.00 H+0 HETATM 47 H UNK 0 1.483 0.324 0.373 0.00 0.00 H+0 HETATM 48 H UNK 0 0.242 0.482 -0.847 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.088 0.533 2.190 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.195 1.907 1.133 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.456 1.981 2.300 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.078 1.227 -1.045 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.578 0.969 0.712 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.341 0.507 -1.000 0.00 0.00 H+0 HETATM 55 H UNK 0 -6.486 2.435 -1.315 0.00 0.00 H+0 HETATM 56 H UNK 0 -8.726 4.724 -2.446 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.802 6.425 -1.162 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.679 5.495 -0.245 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.032 -1.367 1.956 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.261 -1.135 0.764 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.572 -2.252 -2.200 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.878 -1.327 -1.532 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.340 -0.544 -1.907 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.589 -3.540 -0.057 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.464 -3.470 1.287 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.788 -5.217 -0.216 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.779 -4.163 -1.605 0.00 0.00 H+0 HETATM 68 H UNK 0 1.045 -4.062 0.835 0.00 0.00 H+0 CONECT 1 2 34 35 CONECT 2 4 1 3 CONECT 3 2 36 37 38 CONECT 4 6 2 5 CONECT 5 4 CONECT 6 7 4 39 40 CONECT 7 8 6 41 42 CONECT 8 10 32 7 9 CONECT 9 8 43 44 45 CONECT 10 8 28 46 11 CONECT 11 12 10 47 48 CONECT 12 13 11 49 50 CONECT 13 15 12 14 27 CONECT 14 13 51 CONECT 15 13 16 26 52 CONECT 16 15 17 53 54 CONECT 17 16 25 18 CONECT 18 19 17 55 CONECT 19 18 23 20 CONECT 20 19 22 21 CONECT 21 20 CONECT 22 20 56 CONECT 23 19 24 57 CONECT 24 23 25 58 CONECT 25 24 26 17 CONECT 26 25 15 CONECT 27 28 13 59 60 CONECT 28 27 30 10 29 CONECT 29 28 61 62 63 CONECT 30 28 31 64 65 CONECT 31 32 30 66 67 CONECT 32 8 31 33 68 CONECT 33 32 CONECT 34 1 CONECT 35 1 CONECT 36 3 CONECT 37 3 CONECT 38 3 CONECT 39 6 CONECT 40 6 CONECT 41 7 CONECT 42 7 CONECT 43 9 CONECT 44 9 CONECT 45 9 CONECT 46 10 CONECT 47 11 CONECT 48 11 CONECT 49 12 CONECT 50 12 CONECT 51 14 CONECT 52 15 CONECT 53 16 CONECT 54 16 CONECT 55 18 CONECT 56 22 CONECT 57 23 CONECT 58 24 CONECT 59 27 CONECT 60 27 CONECT 61 29 CONECT 62 29 CONECT 63 29 CONECT 64 30 CONECT 65 30 CONECT 66 31 CONECT 67 31 CONECT 68 32 MASTER 0 0 0 0 0 0 0 0 68 0 142 0 END