HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -0.344 2.720 5.343 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.472 2.198 4.468 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.261 2.570 3.001 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.387 2.024 2.122 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.144 2.345 0.644 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.257 1.813 -0.216 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.160 1.053 -1.319 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.908 0.564 -2.007 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.698 -0.972 -1.982 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.513 -1.438 -0.654 0.00 0.00 O+0 HETATM 11 C UNK 0 -2.851 -1.761 -2.527 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.523 -2.662 -3.451 0.00 0.00 C+0 HETATM 13 Br UNK 0 -3.600 -3.858 -4.317 0.00 0.00 Br+0 HETATM 14 C UNK 0 -1.069 -2.534 -3.660 0.00 0.00 C+0 HETATM 15 O UNK 0 -0.440 -3.244 -4.434 0.00 0.00 O+0 HETATM 16 C UNK 0 -0.494 -1.374 -2.876 0.00 0.00 C+0 HETATM 17 C UNK 0 0.798 -1.775 -2.150 0.00 0.00 C+0 HETATM 18 C UNK 0 1.421 -0.620 -1.396 0.00 0.00 C+0 HETATM 19 C UNK 0 1.643 -0.513 -0.075 0.00 0.00 C+0 HETATM 20 C UNK 0 1.262 -1.498 0.996 0.00 0.00 C+0 HETATM 21 C UNK 0 0.400 -0.818 2.066 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.281 -1.819 2.993 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.468 -2.462 2.316 0.00 0.00 C+0 HETATM 24 O UNK 0 -2.465 -1.851 1.949 0.00 0.00 O+0 HETATM 25 O UNK 0 -1.259 -3.797 2.159 0.00 0.00 O+0 HETATM 26 C UNK 0 -2.301 -4.473 1.456 0.00 0.00 C+0 HETATM 27 O UNK 0 1.786 -2.108 -3.153 0.00 0.00 O+0 HETATM 28 C UNK 0 2.386 -3.324 -3.036 0.00 0.00 C+0 HETATM 29 C UNK 0 3.303 -3.549 -4.200 0.00 0.00 C+0 HETATM 30 O UNK 0 2.227 -4.123 -2.124 0.00 0.00 O+0 HETATM 31 H UNK 0 -0.277 3.811 5.286 0.00 0.00 H+0 HETATM 32 H UNK 0 0.618 2.299 5.034 0.00 0.00 H+0 HETATM 33 H UNK 0 -0.516 2.444 6.388 0.00 0.00 H+0 HETATM 34 H UNK 0 -2.424 2.609 4.823 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.531 1.108 4.572 0.00 0.00 H+0 HETATM 36 H UNK 0 -0.298 2.175 2.658 0.00 0.00 H+0 HETATM 37 H UNK 0 -1.214 3.661 2.901 0.00 0.00 H+0 HETATM 38 H UNK 0 -2.467 0.939 2.256 0.00 0.00 H+0 HETATM 39 H UNK 0 -3.343 2.455 2.446 0.00 0.00 H+0 HETATM 40 H UNK 0 -2.097 3.432 0.511 0.00 0.00 H+0 HETATM 41 H UNK 0 -1.173 1.942 0.345 0.00 0.00 H+0 HETATM 42 H UNK 0 -4.259 2.100 0.104 0.00 0.00 H+0 HETATM 43 H UNK 0 -4.095 0.788 -1.814 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.027 1.049 -1.576 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.965 0.909 -3.048 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.221 -1.083 -0.078 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.859 -1.653 -2.148 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.288 -0.602 -3.631 0.00 0.00 H+0 HETATM 49 H UNK 0 0.599 -2.633 -1.503 0.00 0.00 H+0 HETATM 50 H UNK 0 1.765 0.201 -2.025 0.00 0.00 H+0 HETATM 51 H UNK 0 2.148 0.385 0.280 0.00 0.00 H+0 HETATM 52 H UNK 0 0.735 -2.360 0.580 0.00 0.00 H+0 HETATM 53 H UNK 0 2.176 -1.886 1.460 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.356 -0.183 1.590 0.00 0.00 H+0 HETATM 55 H UNK 0 1.036 -0.156 2.666 0.00 0.00 H+0 HETATM 56 H UNK 0 0.427 -2.581 3.336 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.660 -1.314 3.888 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.028 -5.528 1.376 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.409 -4.066 0.445 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.245 -4.399 2.006 0.00 0.00 H+0 HETATM 61 H UNK 0 4.096 -2.797 -4.197 0.00 0.00 H+0 HETATM 62 H UNK 0 2.735 -3.505 -5.133 0.00 0.00 H+0 HETATM 63 H UNK 0 3.758 -4.540 -4.118 0.00 0.00 H+0 CONECT 1 2 31 32 33 CONECT 2 3 1 34 35 CONECT 3 4 2 36 37 CONECT 4 3 5 38 39 CONECT 5 6 4 40 41 CONECT 6 7 5 42 CONECT 7 8 6 43 CONECT 8 9 7 44 45 CONECT 9 11 8 16 10 CONECT 10 9 46 CONECT 11 12 9 47 CONECT 12 14 11 13 CONECT 13 12 CONECT 14 16 12 15 CONECT 15 14 CONECT 16 14 9 17 48 CONECT 17 16 27 18 49 CONECT 18 19 17 50 CONECT 19 18 20 51 CONECT 20 19 21 52 53 CONECT 21 22 20 54 55 CONECT 22 21 23 56 57 CONECT 23 22 25 24 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 58 59 60 CONECT 27 17 28 CONECT 28 27 29 30 CONECT 29 28 61 62 63 CONECT 30 28 CONECT 31 1 CONECT 32 1 CONECT 33 1 CONECT 34 2 CONECT 35 2 CONECT 36 3 CONECT 37 3 CONECT 38 4 CONECT 39 4 CONECT 40 5 CONECT 41 5 CONECT 42 6 CONECT 43 7 CONECT 44 8 CONECT 45 8 CONECT 46 10 CONECT 47 11 CONECT 48 16 CONECT 49 17 CONECT 50 18 CONECT 51 19 CONECT 52 20 CONECT 53 20 CONECT 54 21 CONECT 55 21 CONECT 56 22 CONECT 57 22 CONECT 58 26 CONECT 59 26 CONECT 60 26 CONECT 61 29 CONECT 62 29 CONECT 63 29 MASTER 0 0 0 0 0 0 0 0 63 0 126 0 END