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 0.947 3.578 0.037 0.00 0.00 C+0 HETATM 2 C UNK 0 0.963 2.039 0.103 0.00 0.00 C+0 HETATM 3 C UNK 0 1.992 1.538 -0.871 0.00 0.00 C+0 HETATM 4 C UNK 0 3.325 1.661 -0.281 0.00 0.00 C+0 HETATM 5 C UNK 0 3.829 0.659 0.406 0.00 0.00 C+0 HETATM 6 C UNK 0 3.038 -0.563 0.565 0.00 0.00 C+0 HETATM 7 C UNK 0 3.403 -1.646 -0.428 0.00 0.00 C+0 HETATM 8 C UNK 0 2.165 -2.325 -0.944 0.00 0.00 C+0 HETATM 9 C UNK 0 1.082 -2.494 0.093 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.063 -1.589 -0.132 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.341 -1.263 -1.258 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.832 -1.108 0.999 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.213 -0.698 0.663 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.271 -1.451 1.146 0.00 0.00 C+0 HETATM 15 Cl UNK 0 -2.907 -2.844 2.140 0.00 0.00 Cl+0 HETATM 16 C UNK 0 -4.597 -1.127 0.860 0.00 0.00 C+0 HETATM 17 O UNK 0 -5.604 -1.932 1.382 0.00 0.00 O+0 HETATM 18 C UNK 0 -4.829 -0.038 0.083 0.00 0.00 C+0 HETATM 19 C UNK 0 -3.791 0.721 -0.405 0.00 0.00 C+0 HETATM 20 O UNK 0 -4.112 1.818 -1.193 0.00 0.00 O+0 HETATM 21 C UNK 0 -2.450 0.410 -0.127 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.359 1.266 -0.675 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.668 1.636 -1.876 0.00 0.00 O+0 HETATM 24 O UNK 0 -0.273 1.557 0.028 0.00 0.00 O+0 HETATM 25 H UNK 0 1.843 4.008 0.484 0.00 0.00 H+0 HETATM 26 H UNK 0 0.077 3.883 0.676 0.00 0.00 H+0 HETATM 27 H UNK 0 0.772 3.928 -0.979 0.00 0.00 H+0 HETATM 28 H UNK 0 1.390 1.854 1.136 0.00 0.00 H+0 HETATM 29 H UNK 0 1.967 2.183 -1.799 0.00 0.00 H+0 HETATM 30 H UNK 0 1.722 0.538 -1.208 0.00 0.00 H+0 HETATM 31 H UNK 0 3.883 2.584 -0.420 0.00 0.00 H+0 HETATM 32 H UNK 0 4.820 0.723 0.856 0.00 0.00 H+0 HETATM 33 H UNK 0 3.296 -0.986 1.583 0.00 0.00 H+0 HETATM 34 H UNK 0 1.947 -0.393 0.610 0.00 0.00 H+0 HETATM 35 H UNK 0 4.063 -2.417 0.022 0.00 0.00 H+0 HETATM 36 H UNK 0 3.928 -1.200 -1.308 0.00 0.00 H+0 HETATM 37 H UNK 0 1.821 -1.772 -1.833 0.00 0.00 H+0 HETATM 38 H UNK 0 2.460 -3.342 -1.333 0.00 0.00 H+0 HETATM 39 H UNK 0 0.778 -3.563 0.130 0.00 0.00 H+0 HETATM 40 H UNK 0 1.488 -2.295 1.125 0.00 0.00 H+0 HETATM 41 H UNK 0 -0.273 -0.239 1.460 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.907 -1.896 1.805 0.00 0.00 H+0 HETATM 43 H UNK 0 -6.569 -1.666 1.152 0.00 0.00 H+0 HETATM 44 H UNK 0 -5.865 0.228 -0.150 0.00 0.00 H+0 HETATM 45 H UNK 0 -5.073 2.031 -1.385 0.00 0.00 H+0 CONECT 1 2 25 26 27 CONECT 2 1 3 24 28 CONECT 3 2 4 29 30 CONECT 4 3 5 31 CONECT 5 4 6 32 CONECT 6 5 7 33 34 CONECT 7 6 8 35 36 CONECT 8 7 9 37 38 CONECT 9 8 10 39 40 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 41 42 CONECT 13 12 14 21 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 18 CONECT 17 16 43 CONECT 18 16 19 44 CONECT 19 18 20 21 CONECT 20 19 45 CONECT 21 19 22 13 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 2 CONECT 25 1 CONECT 26 1 CONECT 27 1 CONECT 28 2 CONECT 29 3 CONECT 30 3 CONECT 31 4 CONECT 32 5 CONECT 33 6 CONECT 34 6 CONECT 35 7 CONECT 36 7 CONECT 37 8 CONECT 38 8 CONECT 39 9 CONECT 40 9 CONECT 41 12 CONECT 42 12 CONECT 43 17 CONECT 44 18 CONECT 45 20 MASTER 0 0 0 0 0 0 0 0 45 0 92 0 END