HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 4.512 1.984 -4.047 0.00 0.00 C+0 HETATM 2 O UNK 0 3.429 2.064 -3.120 0.00 0.00 O+0 HETATM 3 C UNK 0 2.925 3.312 -2.972 0.00 0.00 C+0 HETATM 4 O UNK 0 3.361 4.339 -3.466 0.00 0.00 O+0 HETATM 5 C UNK 0 1.807 3.292 -2.003 0.00 0.00 C+0 HETATM 6 C UNK 0 1.835 4.281 -0.996 0.00 0.00 C+0 HETATM 7 C UNK 0 0.823 4.341 -0.040 0.00 0.00 C+0 HETATM 8 O UNK 0 0.733 5.239 0.991 0.00 0.00 O+0 HETATM 9 C UNK 0 1.746 6.237 1.058 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.217 3.412 -0.108 0.00 0.00 C+0 HETATM 11 O UNK 0 -1.232 3.435 0.816 0.00 0.00 O+0 HETATM 12 C UNK 0 -0.260 2.449 -1.112 0.00 0.00 C+0 HETATM 13 O UNK 0 -1.314 1.578 -1.153 0.00 0.00 O+0 HETATM 14 C UNK 0 0.751 2.367 -2.079 0.00 0.00 C+0 HETATM 15 C UNK 0 0.625 1.375 -3.159 0.00 0.00 C+0 HETATM 16 C UNK 0 0.885 0.056 -3.015 0.00 0.00 C+0 HETATM 17 C UNK 0 1.474 -0.577 -1.783 0.00 0.00 C+0 HETATM 18 C UNK 0 0.769 -1.881 -1.405 0.00 0.00 C+0 HETATM 19 C UNK 0 1.516 -2.603 -0.285 0.00 0.00 C+0 HETATM 20 O UNK 0 1.665 -1.769 0.865 0.00 0.00 O+0 HETATM 21 C UNK 0 0.473 -1.288 1.348 0.00 0.00 C+0 HETATM 22 C UNK 0 0.471 -0.815 2.665 0.00 0.00 C+0 HETATM 23 O UNK 0 1.626 -0.876 3.404 0.00 0.00 O+0 HETATM 24 C UNK 0 -0.681 -0.278 3.252 0.00 0.00 C+0 HETATM 25 O UNK 0 -0.530 0.149 4.545 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.669 0.738 5.164 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.849 -0.220 2.500 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.856 -0.694 1.175 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.124 -0.540 0.454 0.00 0.00 C+0 HETATM 30 O UNK 0 -3.585 0.549 0.152 0.00 0.00 O+0 HETATM 31 O UNK 0 -3.699 -1.758 0.339 0.00 0.00 O+0 HETATM 32 C UNK 0 -4.931 -1.737 -0.381 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.695 -1.208 0.581 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.617 -1.617 -0.849 0.00 0.00 C+0 HETATM 35 O UNK 0 -1.622 -1.728 -1.542 0.00 0.00 O+0 HETATM 36 C UNK 0 0.730 -2.784 -2.623 0.00 0.00 C+0 HETATM 37 O UNK 0 0.816 -4.009 -2.514 0.00 0.00 O+0 HETATM 38 C UNK 0 0.552 -2.178 -3.979 0.00 0.00 C+0 HETATM 39 C UNK 0 0.261 -3.102 -5.116 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.900 -4.050 -4.967 0.00 0.00 C+0 HETATM 41 O UNK 0 0.951 -3.089 -6.136 0.00 0.00 O+0 HETATM 42 C UNK 0 0.591 -0.836 -4.150 0.00 0.00 C+0 HETATM 43 C UNK 0 0.324 -0.194 -5.439 0.00 0.00 C+0 HETATM 44 C UNK 0 0.135 1.136 -5.491 0.00 0.00 C+0 HETATM 45 C UNK 0 -0.166 1.882 -6.750 0.00 0.00 C+0 HETATM 46 O UNK 0 0.198 1.937 -4.358 0.00 0.00 O+0 HETATM 47 H UNK 0 4.201 2.339 -5.034 0.00 0.00 H+0 HETATM 48 H UNK 0 4.805 0.934 -4.134 0.00 0.00 H+0 HETATM 49 H UNK 0 5.370 2.556 -3.680 0.00 0.00 H+0 HETATM 50 H UNK 0 2.664 4.984 -0.991 0.00 0.00 H+0 HETATM 51 H UNK 0 1.745 6.861 0.158 0.00 0.00 H+0 HETATM 52 H UNK 0 1.521 6.883 1.912 0.00 0.00 H+0 HETATM 53 H UNK 0 2.730 5.788 1.229 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.029 4.198 1.393 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.993 1.899 -0.521 0.00 0.00 H+0 HETATM 56 H UNK 0 2.533 -0.786 -1.998 0.00 0.00 H+0 HETATM 57 H UNK 0 1.478 0.122 -0.941 0.00 0.00 H+0 HETATM 58 H UNK 0 2.526 -2.882 -0.611 0.00 0.00 H+0 HETATM 59 H UNK 0 1.021 -3.537 0.020 0.00 0.00 H+0 HETATM 60 H UNK 0 1.402 -0.502 4.278 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.488 0.016 5.248 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.987 1.639 4.629 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.382 1.035 6.177 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.768 0.196 2.904 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.690 -1.184 0.181 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.791 -1.302 -1.376 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.271 -2.770 -0.501 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.525 -5.060 -4.780 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.491 -4.037 -5.887 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.555 -3.747 -4.146 0.00 0.00 H+0 HETATM 71 H UNK 0 0.265 -0.781 -6.350 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.129 2.394 -6.665 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.212 1.218 -7.620 0.00 0.00 H+0 HETATM 74 H UNK 0 0.609 2.631 -6.939 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 3 1 CONECT 3 5 4 2 CONECT 4 3 CONECT 5 14 6 3 CONECT 6 7 5 50 CONECT 7 10 6 8 CONECT 8 7 9 CONECT 9 8 51 52 53 CONECT 10 12 7 11 CONECT 11 10 54 CONECT 12 10 13 14 CONECT 13 12 55 CONECT 14 5 15 12 CONECT 15 14 16 46 CONECT 16 42 17 15 CONECT 17 18 16 56 57 CONECT 18 17 19 34 36 CONECT 19 20 18 58 59 CONECT 20 21 19 CONECT 21 20 22 33 CONECT 22 24 21 23 CONECT 23 22 60 CONECT 24 27 22 25 CONECT 25 24 26 CONECT 26 25 61 62 63 CONECT 27 24 28 64 CONECT 28 33 27 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 CONECT 32 31 65 66 67 CONECT 33 34 28 21 CONECT 34 33 18 35 CONECT 35 34 CONECT 36 18 37 38 CONECT 37 36 CONECT 38 39 42 36 CONECT 39 38 40 41 CONECT 40 39 68 69 70 CONECT 41 39 CONECT 42 16 43 38 CONECT 43 42 44 71 CONECT 44 45 46 43 CONECT 45 44 72 73 74 CONECT 46 15 44 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 6 CONECT 51 9 CONECT 52 9 CONECT 53 9 CONECT 54 11 CONECT 55 13 CONECT 56 17 CONECT 57 17 CONECT 58 19 CONECT 59 19 CONECT 60 23 CONECT 61 26 CONECT 62 26 CONECT 63 26 CONECT 64 27 CONECT 65 32 CONECT 66 32 CONECT 67 32 CONECT 68 40 CONECT 69 40 CONECT 70 40 CONECT 71 43 CONECT 72 45 CONECT 73 45 CONECT 74 45 MASTER 0 0 0 0 0 0 0 0 74 0 156 0 END