HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 0.141 -4.753 -0.004 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.138 -3.632 0.949 0.00 0.00 C+0 HETATM 3 O UNK 0 -0.595 -3.773 2.075 0.00 0.00 O+0 HETATM 4 O UNK 0 0.206 -2.442 0.380 0.00 0.00 O+0 HETATM 5 C UNK 0 0.033 -1.248 1.190 0.00 0.00 C+0 HETATM 6 C UNK 0 1.354 -1.034 1.914 0.00 0.00 C+0 HETATM 7 C UNK 0 2.459 -0.792 0.902 0.00 0.00 C+0 HETATM 8 O UNK 0 3.709 -0.778 1.584 0.00 0.00 O+0 HETATM 9 C UNK 0 2.207 0.521 0.142 0.00 0.00 C+0 HETATM 10 C UNK 0 2.518 1.726 1.054 0.00 0.00 C+0 HETATM 11 C UNK 0 0.818 0.468 -0.632 0.00 0.00 C+0 HETATM 12 C UNK 0 0.495 1.772 -1.454 0.00 0.00 C+0 HETATM 13 O UNK 0 0.712 2.911 -0.578 0.00 0.00 O+0 HETATM 14 C UNK 0 0.134 4.107 -0.835 0.00 0.00 C+0 HETATM 15 C UNK 0 0.504 5.104 0.218 0.00 0.00 C+0 HETATM 16 O UNK 0 -0.580 4.341 -1.799 0.00 0.00 O+0 HETATM 17 C UNK 0 1.117 1.944 -2.910 0.00 0.00 C+0 HETATM 18 O UNK 0 0.266 2.814 -3.696 0.00 0.00 O+0 HETATM 19 C UNK 0 1.276 0.652 -3.755 0.00 0.00 C+0 HETATM 20 C UNK 0 0.324 -0.518 -3.830 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.989 -0.690 -3.571 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.639 -2.020 -3.901 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.954 0.358 -3.072 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.500 0.184 -1.626 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.791 -0.490 -1.789 0.00 0.00 O+0 HETATM 26 C UNK 0 -4.879 0.301 -1.984 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.109 -0.545 -2.110 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.866 1.521 -2.050 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.663 -0.663 -0.605 0.00 0.00 C+0 HETATM 30 O UNK 0 -2.632 -1.114 0.412 0.00 0.00 O+0 HETATM 31 C UNK 0 -3.137 -2.375 0.305 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.093 -2.634 1.428 0.00 0.00 C+0 HETATM 33 O UNK 0 -2.857 -3.188 -0.565 0.00 0.00 O+0 HETATM 34 C UNK 0 -0.431 -0.051 0.249 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.988 1.069 1.163 0.00 0.00 C+0 HETATM 36 O UNK 0 2.563 0.133 -3.382 0.00 0.00 O+0 HETATM 37 C UNK 0 3.359 1.170 -3.004 0.00 0.00 C+0 HETATM 38 O UNK 0 4.534 1.054 -2.686 0.00 0.00 O+0 HETATM 39 C UNK 0 2.577 2.474 -2.984 0.00 0.00 C+0 HETATM 40 C UNK 0 2.919 3.243 -4.270 0.00 0.00 C+0 HETATM 41 O UNK 0 2.946 3.328 -1.910 0.00 0.00 O+0 HETATM 42 H UNK 0 -0.330 -4.549 -0.969 0.00 0.00 H+0 HETATM 43 H UNK 0 1.220 -4.875 -0.123 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.282 -5.680 0.394 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.741 -1.423 1.948 0.00 0.00 H+0 HETATM 46 H UNK 0 1.611 -1.924 2.504 0.00 0.00 H+0 HETATM 47 H UNK 0 1.285 -0.215 2.638 0.00 0.00 H+0 HETATM 48 H UNK 0 2.514 -1.622 0.188 0.00 0.00 H+0 HETATM 49 H UNK 0 4.407 -0.659 0.915 0.00 0.00 H+0 HETATM 50 H UNK 0 2.992 0.561 -0.616 0.00 0.00 H+0 HETATM 51 H UNK 0 2.711 2.633 0.481 0.00 0.00 H+0 HETATM 52 H UNK 0 1.733 1.933 1.778 0.00 0.00 H+0 HETATM 53 H UNK 0 3.439 1.571 1.626 0.00 0.00 H+0 HETATM 54 H UNK 0 0.951 -0.349 -1.346 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.578 1.790 -1.583 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.013 6.047 0.022 0.00 0.00 H+0 HETATM 57 H UNK 0 1.582 5.283 0.196 0.00 0.00 H+0 HETATM 58 H UNK 0 0.196 4.736 1.200 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.043 3.560 -3.137 0.00 0.00 H+0 HETATM 60 H UNK 0 1.369 0.942 -4.813 0.00 0.00 H+0 HETATM 61 H UNK 0 0.835 -1.391 -4.248 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.916 -2.763 -4.252 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.384 -1.885 -4.692 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.141 -2.445 -3.029 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.543 1.355 -3.203 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.798 0.366 -3.777 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.695 1.165 -1.180 0.00 0.00 H+0 HETATM 68 H UNK 0 -6.980 0.101 -2.253 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.016 -1.204 -2.977 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.253 -1.127 -1.197 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.292 -1.542 -1.134 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.573 -2.547 2.385 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.926 -1.928 1.376 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.491 -3.649 1.339 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.783 0.698 1.820 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.420 1.892 0.588 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.230 1.485 1.823 0.00 0.00 H+0 HETATM 78 H UNK 0 2.708 2.675 -5.180 0.00 0.00 H+0 HETATM 79 H UNK 0 2.375 4.193 -4.314 0.00 0.00 H+0 HETATM 80 H UNK 0 3.985 3.501 -4.289 0.00 0.00 H+0 HETATM 81 H UNK 0 3.922 3.367 -1.900 0.00 0.00 H+0 CONECT 1 2 42 43 44 CONECT 2 4 1 3 CONECT 3 2 CONECT 4 5 2 CONECT 5 34 4 6 45 CONECT 6 7 5 46 47 CONECT 7 8 6 9 48 CONECT 8 7 49 CONECT 9 10 11 7 50 CONECT 10 9 51 52 53 CONECT 11 9 34 12 54 CONECT 12 13 11 17 55 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 56 57 58 CONECT 16 14 CONECT 17 18 12 19 39 CONECT 18 17 59 CONECT 19 20 17 36 60 CONECT 20 21 19 61 CONECT 21 23 22 20 CONECT 22 21 62 63 64 CONECT 23 21 24 65 66 CONECT 24 25 29 23 67 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 68 69 70 CONECT 28 26 CONECT 29 30 34 24 71 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 72 73 74 CONECT 33 31 CONECT 34 11 5 29 35 CONECT 35 34 75 76 77 CONECT 36 37 19 CONECT 37 38 39 36 CONECT 38 37 CONECT 39 41 17 37 40 CONECT 40 39 78 79 80 CONECT 41 39 81 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 5 CONECT 46 6 CONECT 47 6 CONECT 48 7 CONECT 49 8 CONECT 50 9 CONECT 51 10 CONECT 52 10 CONECT 53 10 CONECT 54 11 CONECT 55 12 CONECT 56 15 CONECT 57 15 CONECT 58 15 CONECT 59 18 CONECT 60 19 CONECT 61 20 CONECT 62 22 CONECT 63 22 CONECT 64 22 CONECT 65 23 CONECT 66 23 CONECT 67 24 CONECT 68 27 CONECT 69 27 CONECT 70 27 CONECT 71 29 CONECT 72 32 CONECT 73 32 CONECT 74 32 CONECT 75 35 CONECT 76 35 CONECT 77 35 CONECT 78 40 CONECT 79 40 CONECT 80 40 CONECT 81 41 MASTER 0 0 0 0 0 0 0 0 81 0 166 0 END