HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -4.693 1.720 -4.567 0.00 0.00 C+0 HETATM 2 O UNK 0 -4.844 1.182 -3.257 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.848 0.474 -2.616 0.00 0.00 C+0 HETATM 4 O UNK 0 -2.765 0.285 -3.182 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.088 -0.055 -1.246 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.362 1.131 -0.399 0.00 0.00 C+0 HETATM 7 O UNK 0 -3.341 2.110 -0.384 0.00 0.00 O+0 HETATM 8 C UNK 0 -3.639 2.982 0.677 0.00 0.00 C+0 HETATM 9 O UNK 0 -3.046 4.053 0.898 0.00 0.00 O+0 HETATM 10 C UNK 0 -4.759 2.416 1.470 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.611 0.930 1.048 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.482 0.388 1.851 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.297 -0.960 -1.385 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.225 -2.118 -0.460 0.00 0.00 C+0 HETATM 15 O UNK 0 -6.291 -2.582 -0.034 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.966 -2.710 -0.047 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.907 -3.955 0.532 0.00 0.00 C+0 HETATM 18 O UNK 0 -4.995 -4.756 0.772 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.635 -4.433 0.899 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.502 -3.675 0.682 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.574 -2.428 0.100 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.392 -1.643 -0.152 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.142 -1.161 -1.435 0.00 0.00 C+0 HETATM 24 C UNK 0 0.978 -0.437 -1.770 0.00 0.00 C+0 HETATM 25 C UNK 0 1.890 -0.188 -0.755 0.00 0.00 C+0 HETATM 26 C UNK 0 1.680 -0.648 0.521 0.00 0.00 C+0 HETATM 27 C UNK 0 0.528 -1.377 0.815 0.00 0.00 C+0 HETATM 28 O UNK 0 0.344 -1.816 2.092 0.00 0.00 O+0 HETATM 29 C UNK 0 2.702 -0.410 1.525 0.00 0.00 C+0 HETATM 30 O UNK 0 2.438 -0.887 2.819 0.00 0.00 O+0 HETATM 31 C UNK 0 3.793 0.210 1.227 0.00 0.00 C+0 HETATM 32 C UNK 0 4.804 0.450 2.262 0.00 0.00 C+0 HETATM 33 O UNK 0 4.905 -0.378 3.211 0.00 0.00 O+0 HETATM 34 C UNK 0 5.657 1.653 2.147 0.00 0.00 C+0 HETATM 35 C UNK 0 5.792 2.232 0.793 0.00 0.00 C+0 HETATM 36 C UNK 0 5.971 3.751 0.965 0.00 0.00 C+0 HETATM 37 C UNK 0 4.643 2.059 -0.143 0.00 0.00 C+0 HETATM 38 O UNK 0 5.124 2.316 -1.446 0.00 0.00 O+0 HETATM 39 C UNK 0 4.118 0.636 -0.150 0.00 0.00 C+0 HETATM 40 C UNK 0 5.237 -0.254 -0.635 0.00 0.00 C+0 HETATM 41 O UNK 0 5.084 -0.911 -1.693 0.00 0.00 O+0 HETATM 42 O UNK 0 6.425 -0.372 0.048 0.00 0.00 O+0 HETATM 43 C UNK 0 7.480 -1.206 -0.399 0.00 0.00 C+0 HETATM 44 O UNK 0 3.031 0.539 -1.018 0.00 0.00 O+0 HETATM 45 C UNK 0 -2.816 -1.957 -0.260 0.00 0.00 C+0 HETATM 46 O UNK 0 -2.943 -0.730 -0.836 0.00 0.00 O+0 HETATM 47 H UNK 0 -4.716 2.836 -4.553 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.748 1.338 -5.002 0.00 0.00 H+0 HETATM 49 H UNK 0 -5.571 1.369 -5.164 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.277 1.658 -0.803 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.638 2.535 2.547 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.739 2.780 1.081 0.00 0.00 H+0 HETATM 53 H UNK 0 -5.595 0.481 1.292 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.549 0.475 1.260 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.613 -0.665 2.170 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.323 1.041 2.743 0.00 0.00 H+0 HETATM 57 H UNK 0 -6.236 -0.417 -1.168 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.401 -1.376 -2.406 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.942 -4.625 0.593 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.601 -5.412 1.353 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.544 -4.117 0.984 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.844 -1.358 -2.231 0.00 0.00 H+0 HETATM 63 H UNK 0 1.167 -0.066 -2.760 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.397 -2.326 2.494 0.00 0.00 H+0 HETATM 65 H UNK 0 2.764 -1.845 2.996 0.00 0.00 H+0 HETATM 66 H UNK 0 6.688 1.464 2.545 0.00 0.00 H+0 HETATM 67 H UNK 0 5.240 2.435 2.844 0.00 0.00 H+0 HETATM 68 H UNK 0 6.755 1.898 0.322 0.00 0.00 H+0 HETATM 69 H UNK 0 6.380 3.998 1.953 0.00 0.00 H+0 HETATM 70 H UNK 0 6.684 4.139 0.211 0.00 0.00 H+0 HETATM 71 H UNK 0 4.971 4.248 0.838 0.00 0.00 H+0 HETATM 72 H UNK 0 3.855 2.795 0.039 0.00 0.00 H+0 HETATM 73 H UNK 0 5.506 1.469 -1.764 0.00 0.00 H+0 HETATM 74 H UNK 0 7.468 -2.189 0.140 0.00 0.00 H+0 HETATM 75 H UNK 0 8.439 -0.675 -0.152 0.00 0.00 H+0 HETATM 76 H UNK 0 7.352 -1.355 -1.487 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 13 46 CONECT 6 5 7 11 50 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 51 52 CONECT 11 10 12 6 53 CONECT 12 11 54 55 56 CONECT 13 5 14 57 58 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 45 CONECT 17 16 18 19 CONECT 18 17 59 CONECT 19 17 20 60 CONECT 20 19 21 61 CONECT 21 20 22 45 CONECT 22 21 23 27 CONECT 23 22 24 62 CONECT 24 23 25 63 CONECT 25 24 26 44 CONECT 26 25 27 29 CONECT 27 26 28 22 CONECT 28 27 64 CONECT 29 26 30 31 CONECT 30 29 65 CONECT 31 29 32 39 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 66 67 CONECT 35 34 36 37 68 CONECT 36 35 69 70 71 CONECT 37 35 38 39 72 CONECT 38 37 73 CONECT 39 37 40 44 31 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 CONECT 43 42 74 75 76 CONECT 44 39 25 CONECT 45 21 46 16 CONECT 46 45 5 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 6 CONECT 51 10 CONECT 52 10 CONECT 53 11 CONECT 54 12 CONECT 55 12 CONECT 56 12 CONECT 57 13 CONECT 58 13 CONECT 59 18 CONECT 60 19 CONECT 61 20 CONECT 62 23 CONECT 63 24 CONECT 64 28 CONECT 65 30 CONECT 66 34 CONECT 67 34 CONECT 68 35 CONECT 69 36 CONECT 70 36 CONECT 71 36 CONECT 72 37 CONECT 73 38 CONECT 74 43 CONECT 75 43 CONECT 76 43 MASTER 0 0 0 0 0 0 0 0 76 0 162 0 END