HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.483 -6.342 3.737 0.00 0.00 C+0 HETATM 2 O UNK 0 -1.605 -5.905 2.699 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.497 -6.778 1.671 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.950 -7.911 1.609 0.00 0.00 O+0 HETATM 5 C UNK 0 -0.542 -6.261 0.680 0.00 0.00 C+0 HETATM 6 C UNK 0 0.519 -7.102 0.312 0.00 0.00 C+0 HETATM 7 O UNK 0 0.626 -8.403 0.727 0.00 0.00 O+0 HETATM 8 C UNK 0 1.541 -6.635 -0.511 0.00 0.00 C+0 HETATM 9 C UNK 0 1.501 -5.326 -0.986 0.00 0.00 C+0 HETATM 10 C UNK 0 0.422 -4.497 -0.667 0.00 0.00 C+0 HETATM 11 O UNK 0 0.472 -3.230 -1.196 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.528 -2.349 -0.871 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.373 -1.040 -1.329 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.345 -0.052 -1.069 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.512 -0.409 -0.337 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.652 -1.738 0.108 0.00 0.00 C+0 HETATM 17 O UNK 0 -3.790 -2.064 0.801 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.661 -2.695 -0.151 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.784 -4.086 0.308 0.00 0.00 C+0 HETATM 20 O UNK 0 -2.852 -4.474 0.766 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.617 -4.970 0.140 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.604 0.607 -0.010 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.141 1.248 -1.268 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.389 2.165 -1.894 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.019 2.522 -1.309 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.046 1.343 -1.634 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.090 2.661 0.206 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.318 3.499 0.921 0.00 0.00 C+0 HETATM 29 O UNK 0 -1.364 3.598 2.300 0.00 0.00 O+0 HETATM 30 C UNK 0 -0.291 4.323 0.244 0.00 0.00 C+0 HETATM 31 C UNK 0 0.752 4.969 0.928 0.00 0.00 C+0 HETATM 32 O UNK 0 0.887 4.914 2.291 0.00 0.00 O+0 HETATM 33 C UNK 0 1.722 5.709 0.252 0.00 0.00 C+0 HETATM 34 C UNK 0 1.678 5.829 -1.139 0.00 0.00 C+0 HETATM 35 C UNK 0 2.693 6.662 -1.863 0.00 0.00 C+0 HETATM 36 C UNK 0 0.632 5.217 -1.837 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.341 4.458 -1.160 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.492 3.854 -1.940 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.541 4.853 -1.911 0.00 0.00 O+0 HETATM 40 C UNK 0 -2.716 5.585 -3.041 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.789 6.607 -2.827 0.00 0.00 C+0 HETATM 42 O UNK 0 -2.103 5.434 -4.088 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.036 1.717 0.878 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.271 1.826 2.082 0.00 0.00 O+0 HETATM 45 H UNK 0 -2.073 -7.228 4.232 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.481 -6.548 3.338 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.564 -5.538 4.473 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.240 -8.700 1.084 0.00 0.00 H+0 HETATM 49 H UNK 0 2.367 -7.290 -0.776 0.00 0.00 H+0 HETATM 50 H UNK 0 2.306 -4.958 -1.619 0.00 0.00 H+0 HETATM 51 H UNK 0 0.521 -0.786 -1.898 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.777 -3.032 0.986 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.452 0.172 0.530 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.102 0.927 -1.658 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.716 2.600 -2.835 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.985 1.234 -2.727 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.036 1.611 -1.292 0.00 0.00 H+0 HETATM 58 H UNK 0 -2.103 3.023 2.615 0.00 0.00 H+0 HETATM 59 H UNK 0 0.096 4.442 2.628 0.00 0.00 H+0 HETATM 60 H UNK 0 2.509 6.195 0.824 0.00 0.00 H+0 HETATM 61 H UNK 0 3.656 6.646 -1.341 0.00 0.00 H+0 HETATM 62 H UNK 0 2.346 7.698 -1.932 0.00 0.00 H+0 HETATM 63 H UNK 0 2.865 6.278 -2.873 0.00 0.00 H+0 HETATM 64 H UNK 0 0.565 5.340 -2.918 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.173 3.639 -2.969 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.904 7.207 -3.734 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.738 6.109 -2.614 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.509 7.271 -2.005 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 3 1 CONECT 3 5 2 4 CONECT 4 3 CONECT 5 6 21 3 CONECT 6 8 5 7 CONECT 7 6 48 CONECT 8 9 6 49 CONECT 9 10 8 50 CONECT 10 11 21 9 CONECT 11 12 10 CONECT 12 13 18 11 CONECT 13 12 14 51 CONECT 14 15 13 26 CONECT 15 16 14 22 CONECT 16 18 15 17 CONECT 17 16 52 CONECT 18 16 12 19 CONECT 19 21 18 20 CONECT 20 19 CONECT 21 19 10 5 CONECT 22 23 43 15 53 CONECT 23 24 22 54 CONECT 24 25 23 55 CONECT 25 27 26 24 38 CONECT 26 25 14 56 57 CONECT 27 25 43 28 CONECT 28 29 27 30 CONECT 29 28 58 CONECT 30 37 28 31 CONECT 31 32 30 33 CONECT 32 31 59 CONECT 33 34 31 60 CONECT 34 36 33 35 CONECT 35 34 61 62 63 CONECT 36 34 37 64 CONECT 37 30 36 38 CONECT 38 37 25 39 65 CONECT 39 38 40 CONECT 40 41 42 39 CONECT 41 40 66 67 68 CONECT 42 40 CONECT 43 22 27 44 CONECT 44 43 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 7 CONECT 49 8 CONECT 50 9 CONECT 51 13 CONECT 52 17 CONECT 53 22 CONECT 54 23 CONECT 55 24 CONECT 56 26 CONECT 57 26 CONECT 58 29 CONECT 59 32 CONECT 60 33 CONECT 61 35 CONECT 62 35 CONECT 63 35 CONECT 64 36 CONECT 65 38 CONECT 66 41 CONECT 67 41 CONECT 68 41 MASTER 0 0 0 0 0 0 0 0 68 0 148 0 END