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 -7.133 0.966 -0.006 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.836 -0.457 -0.442 0.00 0.00 C+0 HETATM 3 N UNK 0 -8.002 -1.285 -0.194 0.00 0.00 N+0 HETATM 4 C UNK 0 -5.676 -0.953 0.338 0.00 0.00 C+0 HETATM 5 O UNK 0 -5.862 -1.947 1.109 0.00 0.00 O+0 HETATM 6 N UNK 0 -4.398 -0.393 0.271 0.00 0.00 N+0 HETATM 7 S UNK 0 -3.115 -1.038 1.212 0.00 0.00 S+0 HETATM 8 O UNK 0 -3.106 -2.550 1.164 0.00 0.00 O+0 HETATM 9 O UNK 0 -3.368 -0.604 2.644 0.00 0.00 O+0 HETATM 10 O UNK 0 -1.669 -0.462 0.638 0.00 0.00 O+0 HETATM 11 C UNK 0 -0.602 -1.331 0.898 0.00 0.00 C+0 HETATM 12 C UNK 0 0.630 -0.704 0.356 0.00 0.00 C+0 HETATM 13 O UNK 0 1.795 -1.456 0.537 0.00 0.00 O+0 HETATM 14 C UNK 0 2.735 -0.923 -0.337 0.00 0.00 C+0 HETATM 15 N UNK 0 3.692 -0.123 0.413 0.00 0.00 N+0 HETATM 16 C UNK 0 3.594 0.288 1.687 0.00 0.00 C+0 HETATM 17 N UNK 0 4.680 1.004 2.012 0.00 0.00 N+0 HETATM 18 C UNK 0 5.500 1.069 0.957 0.00 0.00 C+0 HETATM 19 C UNK 0 6.724 1.674 0.770 0.00 0.00 C+0 HETATM 20 N UNK 0 7.386 2.409 1.787 0.00 0.00 N+0 HETATM 21 N UNK 0 7.302 1.554 -0.433 0.00 0.00 N+0 HETATM 22 C UNK 0 6.682 0.853 -1.423 0.00 0.00 C+0 HETATM 23 Cl UNK 0 7.458 0.707 -2.988 0.00 0.00 Cl+0 HETATM 24 N UNK 0 5.487 0.260 -1.244 0.00 0.00 N+0 HETATM 25 C UNK 0 4.860 0.348 -0.054 0.00 0.00 C+0 HETATM 26 C UNK 0 2.022 -0.103 -1.380 0.00 0.00 C+0 HETATM 27 O UNK 0 2.067 1.271 -1.092 0.00 0.00 O+0 HETATM 28 C UNK 0 0.585 -0.521 -1.173 0.00 0.00 C+0 HETATM 29 O UNK 0 -0.323 0.463 -1.510 0.00 0.00 O+0 HETATM 30 H UNK 0 -7.850 1.468 -0.681 0.00 0.00 H+0 HETATM 31 H UNK 0 -7.567 0.926 1.004 0.00 0.00 H+0 HETATM 32 H UNK 0 -6.206 1.565 0.024 0.00 0.00 H+0 HETATM 33 H UNK 0 -6.612 -0.521 -1.519 0.00 0.00 H+0 HETATM 34 H UNK 0 -7.945 -1.667 0.781 0.00 0.00 H+0 HETATM 35 H UNK 0 -8.830 -0.648 -0.199 0.00 0.00 H+0 HETATM 36 H UNK 0 -4.235 0.423 -0.360 0.00 0.00 H+0 HETATM 37 H UNK 0 -0.454 -1.534 1.961 0.00 0.00 H+0 HETATM 38 H UNK 0 -0.800 -2.260 0.315 0.00 0.00 H+0 HETATM 39 H UNK 0 0.837 0.309 0.756 0.00 0.00 H+0 HETATM 40 H UNK 0 3.321 -1.719 -0.852 0.00 0.00 H+0 HETATM 41 H UNK 0 2.742 0.049 2.322 0.00 0.00 H+0 HETATM 42 H UNK 0 6.973 3.319 2.089 0.00 0.00 H+0 HETATM 43 H UNK 0 8.262 2.101 2.260 0.00 0.00 H+0 HETATM 44 H UNK 0 2.378 -0.311 -2.405 0.00 0.00 H+0 HETATM 45 H UNK 0 2.980 1.624 -1.013 0.00 0.00 H+0 HETATM 46 H UNK 0 0.438 -1.477 -1.693 0.00 0.00 H+0 HETATM 47 H UNK 0 -0.539 0.336 -2.483 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 1 3 4 33 CONECT 3 2 34 35 CONECT 4 2 5 6 CONECT 5 4 CONECT 6 4 7 36 CONECT 7 6 8 9 10 CONECT 8 7 CONECT 9 7 CONECT 10 7 11 CONECT 11 10 12 37 38 CONECT 12 11 13 28 39 CONECT 13 12 14 CONECT 14 13 15 26 40 CONECT 15 14 16 25 CONECT 16 15 17 41 CONECT 17 16 18 CONECT 18 17 19 25 CONECT 19 18 20 21 CONECT 20 19 42 43 CONECT 21 19 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 15 18 CONECT 26 14 27 28 44 CONECT 27 26 45 CONECT 28 26 29 12 46 CONECT 29 28 47 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 2 CONECT 34 3 CONECT 35 3 CONECT 36 6 CONECT 37 11 CONECT 38 11 CONECT 39 12 CONECT 40 14 CONECT 41 16 CONECT 42 20 CONECT 43 20 CONECT 44 26 CONECT 45 27 CONECT 46 28 CONECT 47 29 MASTER 0 0 0 0 0 0 0 0 47 0 98 0 END