HEADER PROTEIN 27-OCT-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-OCT-23 0 HETATM 1 Na UNK 0 -10.672 -2.544 0.000 0.00 0.00 Na+1 HETATM 2 H UNK 0 10.197 -5.117 0.000 0.00 0.00 H+0 HETATM 3 C UNK 0 9.427 -3.783 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 10.672 -2.878 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 9.266 -2.252 0.000 0.00 0.00 C+0 HETATM 6 H UNK 0 9.742 -0.787 0.000 0.00 0.00 H+0 HETATM 7 C UNK 0 7.759 -1.931 0.000 0.00 0.00 C+0 HETATM 8 F UNK 0 8.235 -0.467 0.000 0.00 0.00 F+0 HETATM 9 F UNK 0 6.353 -1.305 0.000 0.00 0.00 F+0 HETATM 10 C UNK 0 6.989 -3.265 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 8.020 -4.409 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 7.250 -5.743 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 5.744 -5.423 0.000 0.00 0.00 N+0 HETATM 14 N UNK 0 5.583 -3.891 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 4.249 -3.121 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.249 -1.581 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 5.583 -0.811 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 2.915 -0.811 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 1.581 -1.581 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 1.581 -3.121 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 2.612 -4.266 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 4.118 -3.946 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 5.149 -5.090 0.000 0.00 0.00 C+0 HETATM 24 F UNK 0 5.919 -6.424 0.000 0.00 0.00 F+0 HETATM 25 C UNK 0 4.673 -6.555 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 3.167 -6.875 0.000 0.00 0.00 C+0 HETATM 27 F UNK 0 2.691 -8.340 0.000 0.00 0.00 F+0 HETATM 28 C UNK 0 2.136 -5.730 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 0.248 -0.811 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 0.248 0.728 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 -1.086 1.498 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.419 0.728 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.419 -0.811 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.086 -1.581 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.086 -3.121 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 0.248 -3.891 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 0.248 -5.431 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.086 -6.201 0.000 0.00 0.00 C+0 HETATM 39 Cl UNK 0 -1.086 -7.741 0.000 0.00 0.00 Cl+0 HETATM 40 C UNK 0 -2.419 -5.431 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.419 -3.891 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 -3.884 -3.416 0.000 0.00 0.00 N+0 HETATM 43 C UNK 0 -4.360 -1.951 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -5.866 -1.631 0.000 0.00 0.00 C+0 HETATM 45 F UNK 0 -5.546 -0.124 0.000 0.00 0.00 F+0 HETATM 46 F UNK 0 -6.186 -3.137 0.000 0.00 0.00 F+0 HETATM 47 F UNK 0 -7.373 -1.311 0.000 0.00 0.00 F+0 HETATM 48 N UNK 0 -4.789 -4.661 0.000 0.00 0.00 N+0 HETATM 49 C UNK 0 -3.884 -5.907 0.000 0.00 0.00 C+0 HETATM 50 N UNK 0 -4.360 -7.372 0.000 0.00 0.00 N-1 HETATM 51 S UNK 0 -5.866 -7.692 0.000 0.00 0.00 S+0 HETATM 52 C UNK 0 -5.546 -9.198 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 -7.373 -8.012 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 -6.186 -6.186 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 -1.086 3.038 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -1.086 4.578 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.086 6.118 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 0.454 6.118 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -2.626 6.118 0.000 0.00 0.00 C+0 HETATM 60 S UNK 0 -1.086 7.658 0.000 0.00 0.00 S+0 HETATM 61 C UNK 0 0.454 7.658 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 -2.626 7.658 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 -1.086 9.198 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 7.876 -7.150 0.000 0.00 0.00 C+0 HETATM 65 F UNK 0 8.503 -8.557 0.000 0.00 0.00 F+0 HETATM 66 F UNK 0 6.469 -7.776 0.000 0.00 0.00 F+0 HETATM 67 F UNK 0 9.283 -6.524 0.000 0.00 0.00 F+0 CONECT 2 3 CONECT 3 2 4 5 11 CONECT 4 3 5 CONECT 5 4 3 6 7 CONECT 6 5 CONECT 7 5 8 9 10 CONECT 8 7 CONECT 9 7 CONECT 10 7 11 14 CONECT 11 10 3 12 CONECT 12 11 13 64 CONECT 13 12 14 CONECT 14 13 10 15 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 29 CONECT 20 19 21 CONECT 21 20 22 28 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 21 CONECT 29 19 30 34 CONECT 30 29 31 CONECT 31 30 32 55 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 29 35 CONECT 35 34 36 41 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 49 CONECT 41 40 35 42 CONECT 42 41 43 48 CONECT 43 42 44 CONECT 44 43 45 46 47 CONECT 45 44 CONECT 46 44 CONECT 47 44 CONECT 48 42 49 CONECT 49 48 40 50 CONECT 50 49 51 CONECT 51 50 52 53 54 CONECT 52 51 CONECT 53 51 CONECT 54 51 CONECT 55 31 56 CONECT 56 55 57 CONECT 57 56 58 59 60 CONECT 58 57 CONECT 59 57 CONECT 60 57 61 62 63 CONECT 61 60 CONECT 62 60 CONECT 63 60 CONECT 64 12 65 66 67 CONECT 65 64 CONECT 66 64 CONECT 67 64 MASTER 0 0 0 0 0 0 0 0 67 0 144 0 END