HEADER PROTEIN 25-AUG-14 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 25-AUG-14 0 HETATM 1 C UNK 0 2.946 9.030 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.256 -8.028 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.337 7.616 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.639 -6.617 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.715 0.282 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -6.538 -0.334 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 6.230 -1.179 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.048 1.126 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 5.691 1.433 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.519 -1.489 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.722 -1.490 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.539 1.431 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.441 6.051 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 1.590 -6.137 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 4.402 3.038 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.238 -3.097 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.257 6.381 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.109 -6.445 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 4.218 4.609 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.062 -4.669 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.844 5.415 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 2.996 -5.508 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.746 3.471 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.584 -3.549 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.316 1.496 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 1.490 -1.569 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 1.295 5.872 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.145 -5.946 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.189 5.153 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 0.343 -5.234 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.395 3.498 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 0.557 -3.578 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.103 1.907 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.070 -1.984 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 4.183 1.122 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.010 -1.183 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 3.698 -0.340 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.519 0.277 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 2.242 3.551 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.080 -3.621 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 1.655 1.237 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.482 -1.309 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 2.961 2.216 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.791 -2.282 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 2.146 -0.232 0.000 0.00 0.00 N+0 HETATM 46 N UNK 0 -1.969 0.160 0.000 0.00 0.00 N+0 HETATM 47 N UNK 0 2.647 4.967 0.000 0.00 0.00 N+1 HETATM 48 N UNK 0 -2.492 -5.034 0.000 0.00 0.00 N+1 HETATM 49 O UNK 0 -4.095 6.312 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 4.244 -6.411 0.000 0.00 0.00 O+0 HETATM 51 Br UNK 0 10.895 0.000 0.000 0.00 0.00 Br-1 HETATM 52 Br UNK 0 0.000 -11.108 0.000 0.00 0.00 Br-1 HETATM 53 H UNK 0 -1.290 7.583 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 1.432 -7.669 0.000 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.307 2.675 0.000 0.00 0.00 H+0 HETATM 56 H UNK 0 2.481 -2.747 0.000 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.929 3.359 0.000 0.00 0.00 H+0 HETATM 58 H UNK 0 2.092 -3.449 0.000 0.00 0.00 H+0 HETATM 59 H UNK 0 3.773 3.716 0.000 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.612 -3.778 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 0.521 0.196 0.000 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.345 -0.271 0.000 0.00 0.00 H+0 CONECT 1 3 CONECT 2 4 CONECT 3 1 17 CONECT 4 2 18 CONECT 5 7 9 CONECT 6 8 10 CONECT 7 5 11 CONECT 8 6 12 CONECT 9 5 35 CONECT 10 6 36 CONECT 11 7 37 CONECT 12 8 38 CONECT 13 21 29 53 CONECT 14 22 30 54 CONECT 15 19 43 CONECT 16 20 44 CONECT 17 3 47 CONECT 18 4 48 CONECT 19 15 47 CONECT 20 16 48 CONECT 21 13 49 CONECT 22 14 50 CONECT 23 31 39 CONECT 24 32 40 CONECT 25 33 46 55 CONECT 26 34 45 56 CONECT 27 29 47 CONECT 28 30 48 CONECT 29 13 27 31 CONECT 30 14 28 32 CONECT 31 23 29 33 57 CONECT 32 24 30 34 58 CONECT 33 25 31 41 CONECT 34 26 32 42 CONECT 35 9 37 43 CONECT 36 10 38 44 CONECT 37 11 35 45 CONECT 38 12 36 46 CONECT 39 23 43 47 59 CONECT 40 24 44 48 60 CONECT 41 33 43 45 61 CONECT 42 34 44 46 62 CONECT 43 15 35 39 41 CONECT 44 16 36 40 42 CONECT 45 26 37 41 CONECT 46 25 38 42 CONECT 47 17 19 27 39 CONECT 48 18 20 28 40 CONECT 49 21 CONECT 50 22 CONECT 53 13 CONECT 54 14 CONECT 55 25 CONECT 56 26 CONECT 57 31 CONECT 58 32 CONECT 59 39 CONECT 60 40 CONECT 61 41 CONECT 62 42 MASTER 0 0 0 0 0 0 0 0 62 0 140 0 END