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 -0.812 -0.962 -2.625 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.529 0.265 -2.120 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.948 0.970 -1.185 0.00 0.00 C+0 HETATM 4 C UNK 0 0.372 0.609 -0.612 0.00 0.00 C+0 HETATM 5 O UNK 0 0.842 1.354 0.279 0.00 0.00 O+0 HETATM 6 O UNK 0 1.067 -0.484 -1.019 0.00 0.00 O+0 HETATM 7 C UNK 0 2.318 -0.850 -0.503 0.00 0.00 C+0 HETATM 8 C UNK 0 3.326 0.200 -0.797 0.00 0.00 C+0 HETATM 9 C UNK 0 4.724 -0.109 -0.277 0.00 0.00 C+0 HETATM 10 C UNK 0 5.241 -1.366 -0.895 0.00 0.00 C+0 HETATM 11 C UNK 0 6.636 -1.680 -0.430 0.00 0.00 C+0 HETATM 12 C UNK 0 6.676 -1.872 1.040 0.00 0.00 C+0 HETATM 13 C UNK 0 8.001 -2.241 1.618 0.00 0.00 C+0 HETATM 14 C UNK 0 8.988 -1.175 1.365 0.00 0.00 C+0 HETATM 15 O UNK 0 8.686 -0.086 0.827 0.00 0.00 O+0 HETATM 16 N UNK 0 10.370 -1.360 1.741 0.00 0.00 N+0 HETATM 17 C UNK 0 11.320 -0.337 1.499 0.00 0.00 C+0 HETATM 18 C UNK 0 11.673 0.707 2.382 0.00 0.00 C+0 HETATM 19 S UNK 0 11.221 1.210 3.954 0.00 0.00 S+0 HETATM 20 S UNK 0 12.506 2.852 4.006 0.00 0.00 S+0 HETATM 21 C UNK 0 13.152 2.600 2.448 0.00 0.00 C+0 HETATM 22 C UNK 0 12.664 1.523 1.761 0.00 0.00 C+0 HETATM 23 N UNK 0 12.865 0.940 0.536 0.00 0.00 N+0 HETATM 24 C UNK 0 12.093 -0.133 0.378 0.00 0.00 C+0 HETATM 25 O UNK 0 12.063 -0.877 -0.659 0.00 0.00 O+0 HETATM 26 C UNK 0 -2.831 0.627 -2.699 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.617 0.924 -4.062 0.00 0.00 O+0 HETATM 28 C UNK 0 -3.413 1.819 -1.994 0.00 0.00 C+0 HETATM 29 O UNK 0 -3.643 1.537 -0.685 0.00 0.00 O+0 HETATM 30 C UNK 0 -4.641 0.668 -0.376 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.960 1.143 -0.900 0.00 0.00 C+0 HETATM 32 C UNK 0 -7.012 0.058 -0.717 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.206 -0.323 0.704 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.374 -0.193 1.292 0.00 0.00 C+0 HETATM 35 C UNK 0 -8.623 -0.559 2.712 0.00 0.00 C+0 HETATM 36 C UNK 0 -9.161 0.661 3.423 0.00 0.00 C+0 HETATM 37 C UNK 0 -9.695 -1.629 2.701 0.00 0.00 C+0 HETATM 38 C UNK 0 -10.952 -1.121 2.071 0.00 0.00 C+0 HETATM 39 O UNK 0 -9.897 -2.114 3.983 0.00 0.00 O+0 HETATM 40 C UNK 0 -5.873 1.535 -2.340 0.00 0.00 C+0 HETATM 41 O UNK 0 -6.062 0.423 -3.191 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.660 2.313 -2.717 0.00 0.00 C+0 HETATM 43 O UNK 0 -4.873 3.657 -2.346 0.00 0.00 O+0 HETATM 44 H UNK 0 -0.742 -1.698 -1.802 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.453 -1.415 -3.439 0.00 0.00 H+0 HETATM 46 H UNK 0 0.135 -0.722 -3.126 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.413 1.851 -0.799 0.00 0.00 H+0 HETATM 48 H UNK 0 2.608 -1.877 -0.820 0.00 0.00 H+0 HETATM 49 H UNK 0 2.193 -0.877 0.614 0.00 0.00 H+0 HETATM 50 H UNK 0 3.451 0.225 -1.921 0.00 0.00 H+0 HETATM 51 H UNK 0 2.983 1.178 -0.478 0.00 0.00 H+0 HETATM 52 H UNK 0 4.727 -0.098 0.837 0.00 0.00 H+0 HETATM 53 H UNK 0 5.369 0.726 -0.627 0.00 0.00 H+0 HETATM 54 H UNK 0 4.560 -2.239 -0.743 0.00 0.00 H+0 HETATM 55 H UNK 0 5.283 -1.189 -1.999 0.00 0.00 H+0 HETATM 56 H UNK 0 6.991 -2.580 -0.996 0.00 0.00 H+0 HETATM 57 H UNK 0 7.270 -0.814 -0.774 0.00 0.00 H+0 HETATM 58 H UNK 0 5.952 -2.665 1.356 0.00 0.00 H+0 HETATM 59 H UNK 0 6.346 -0.905 1.521 0.00 0.00 H+0 HETATM 60 H UNK 0 7.863 -2.354 2.721 0.00 0.00 H+0 HETATM 61 H UNK 0 8.353 -3.239 1.275 0.00 0.00 H+0 HETATM 62 H UNK 0 10.664 -2.264 2.197 0.00 0.00 H+0 HETATM 63 H UNK 0 13.928 3.311 2.064 0.00 0.00 H+0 HETATM 64 H UNK 0 13.528 1.261 -0.209 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.517 -0.241 -2.633 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.411 0.041 -4.495 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.706 2.697 -2.049 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.728 0.480 0.725 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.434 -0.316 -0.859 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.295 1.988 -0.254 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.767 -0.839 -1.351 0.00 0.00 H+0 HETATM 72 H UNK 0 -7.964 0.484 -1.091 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.377 -0.718 1.285 0.00 0.00 H+0 HETATM 74 H UNK 0 -9.237 0.204 0.738 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.708 -0.894 3.216 0.00 0.00 H+0 HETATM 76 H UNK 0 -8.368 1.128 4.043 0.00 0.00 H+0 HETATM 77 H UNK 0 -9.509 1.391 2.669 0.00 0.00 H+0 HETATM 78 H UNK 0 -10.015 0.408 4.088 0.00 0.00 H+0 HETATM 79 H UNK 0 -9.335 -2.483 2.066 0.00 0.00 H+0 HETATM 80 H UNK 0 -11.321 -0.181 2.507 0.00 0.00 H+0 HETATM 81 H UNK 0 -10.828 -1.043 0.977 0.00 0.00 H+0 HETATM 82 H UNK 0 -11.731 -1.924 2.221 0.00 0.00 H+0 HETATM 83 H UNK 0 -9.338 -1.601 4.621 0.00 0.00 H+0 HETATM 84 H UNK 0 -6.761 2.202 -2.554 0.00 0.00 H+0 HETATM 85 H UNK 0 -7.007 0.335 -3.477 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.511 2.230 -3.814 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.749 3.914 -2.764 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 26 CONECT 3 2 4 47 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 48 49 CONECT 8 7 9 50 51 CONECT 9 8 10 52 53 CONECT 10 9 11 54 55 CONECT 11 10 12 56 57 CONECT 12 11 13 58 59 CONECT 13 12 14 60 61 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 62 CONECT 17 16 18 24 CONECT 18 17 19 22 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 22 63 CONECT 22 21 23 18 CONECT 23 22 24 64 CONECT 24 23 25 17 CONECT 25 24 CONECT 26 2 27 28 65 CONECT 27 26 66 CONECT 28 26 29 42 67 CONECT 29 28 30 CONECT 30 29 31 68 69 CONECT 31 30 32 40 70 CONECT 32 31 33 71 72 CONECT 33 32 34 73 CONECT 34 33 35 74 CONECT 35 34 36 37 75 CONECT 36 35 76 77 78 CONECT 37 35 38 39 79 CONECT 38 37 80 81 82 CONECT 39 37 83 CONECT 40 31 41 42 84 CONECT 41 40 85 CONECT 42 40 43 28 86 CONECT 43 42 87 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 3 CONECT 48 7 CONECT 49 7 CONECT 50 8 CONECT 51 8 CONECT 52 9 CONECT 53 9 CONECT 54 10 CONECT 55 10 CONECT 56 11 CONECT 57 11 CONECT 58 12 CONECT 59 12 CONECT 60 13 CONECT 61 13 CONECT 62 16 CONECT 63 21 CONECT 64 23 CONECT 65 26 CONECT 66 27 CONECT 67 28 CONECT 68 30 CONECT 69 30 CONECT 70 31 CONECT 71 32 CONECT 72 32 CONECT 73 33 CONECT 74 34 CONECT 75 35 CONECT 76 36 CONECT 77 36 CONECT 78 36 CONECT 79 37 CONECT 80 38 CONECT 81 38 CONECT 82 38 CONECT 83 39 CONECT 84 40 CONECT 85 41 CONECT 86 42 CONECT 87 43 MASTER 0 0 0 0 0 0 0 0 87 0 178 0 END