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 -0.454 4.589 3.833 0.00 0.00 C+0 HETATM 2 S UNK 0 -0.318 2.881 4.335 0.00 0.00 S+0 HETATM 3 C UNK 0 1.301 2.323 4.762 0.00 0.00 C+0 HETATM 4 C UNK 0 2.331 2.230 3.743 0.00 0.00 C+0 HETATM 5 C UNK 0 2.346 1.298 2.628 0.00 0.00 C+0 HETATM 6 N UNK 0 3.604 1.580 1.841 0.00 0.00 N+0 HETATM 7 C UNK 0 4.495 0.568 1.454 0.00 0.00 C+0 HETATM 8 O UNK 0 4.290 -0.644 1.682 0.00 0.00 O+0 HETATM 9 N UNK 0 5.700 0.919 0.768 0.00 0.00 N+0 HETATM 10 C UNK 0 6.656 -0.076 0.323 0.00 0.00 C+0 HETATM 11 C UNK 0 7.720 -0.291 1.402 0.00 0.00 C+0 HETATM 12 C UNK 0 8.715 -1.268 0.942 0.00 0.00 C+0 HETATM 13 C UNK 0 8.512 -2.605 1.082 0.00 0.00 C+0 HETATM 14 C UNK 0 9.460 -3.511 0.669 0.00 0.00 C+0 HETATM 15 C UNK 0 10.652 -3.104 0.097 0.00 0.00 C+0 HETATM 16 C UNK 0 10.858 -1.745 -0.045 0.00 0.00 C+0 HETATM 17 O UNK 0 12.033 -1.262 -0.610 0.00 0.00 O+0 HETATM 18 C UNK 0 9.911 -0.835 0.368 0.00 0.00 C+0 HETATM 19 C UNK 0 7.185 0.230 -1.000 0.00 0.00 C+0 HETATM 20 O UNK 0 6.854 1.287 -1.638 0.00 0.00 O+0 HETATM 21 O UNK 0 8.090 -0.620 -1.651 0.00 0.00 O+0 HETATM 22 C UNK 0 1.262 1.146 1.692 0.00 0.00 C+0 HETATM 23 O UNK 0 1.490 1.417 0.442 0.00 0.00 O+0 HETATM 24 N UNK 0 -0.030 0.716 1.965 0.00 0.00 N+0 HETATM 25 C UNK 0 -1.041 0.557 0.874 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.712 -0.740 1.049 0.00 0.00 C+0 HETATM 27 O UNK 0 -1.857 -1.123 2.260 0.00 0.00 O+0 HETATM 28 N UNK 0 -2.204 -1.597 0.035 0.00 0.00 N+0 HETATM 29 C UNK 0 -2.835 -2.818 0.392 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.324 -3.692 -0.446 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.308 -3.573 -1.926 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.114 -5.003 -2.325 0.00 0.00 C+0 HETATM 33 O UNK 0 -1.724 -5.282 -2.305 0.00 0.00 O+0 HETATM 34 C UNK 0 -3.756 -5.800 -1.265 0.00 0.00 C+0 HETATM 35 N UNK 0 -4.979 -6.471 -1.610 0.00 0.00 N+0 HETATM 36 C UNK 0 -6.140 -5.850 -2.162 0.00 0.00 C+0 HETATM 37 C UNK 0 -6.856 -6.756 -3.179 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.199 -8.048 -2.520 0.00 0.00 C+0 HETATM 39 O UNK 0 -8.343 -8.560 -2.568 0.00 0.00 O+0 HETATM 40 N UNK 0 -6.140 -8.685 -1.819 0.00 0.00 N+0 HETATM 41 C UNK 0 -5.048 -7.882 -1.377 0.00 0.00 C+0 HETATM 42 O UNK 0 -4.127 -8.482 -0.760 0.00 0.00 O+0 HETATM 43 O UNK 0 -3.960 -4.909 -0.175 0.00 0.00 O+0 HETATM 44 C UNK 0 -1.989 1.751 0.892 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.743 1.878 2.200 0.00 0.00 C+0 HETATM 46 N UNK 0 -2.901 1.798 -0.226 0.00 0.00 N+0 HETATM 47 C UNK 0 -3.999 0.839 -0.318 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.822 2.775 -1.262 0.00 0.00 C+0 HETATM 49 O UNK 0 -3.728 2.740 -2.125 0.00 0.00 O+0 HETATM 50 C UNK 0 -1.754 3.745 -1.306 0.00 0.00 C+0 HETATM 51 N UNK 0 -0.421 3.153 -1.246 0.00 0.00 N+0 HETATM 52 C UNK 0 -1.850 4.718 -2.422 0.00 0.00 C+0 HETATM 53 C UNK 0 -3.069 5.519 -2.350 0.00 0.00 C+0 HETATM 54 C UNK 0 -4.152 5.269 -3.132 0.00 0.00 C+0 HETATM 55 C UNK 0 -5.287 6.047 -2.983 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.311 7.045 -2.066 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.229 7.328 -1.255 0.00 0.00 C+0 HETATM 58 O UNK 0 -4.252 8.360 -0.308 0.00 0.00 O+0 HETATM 59 C UNK 0 -3.116 6.537 -1.427 0.00 0.00 C+0 HETATM 60 H UNK 0 -1.551 4.805 3.681 0.00 0.00 H+0 HETATM 61 H UNK 0 0.094 4.863 2.925 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.119 5.289 4.633 0.00 0.00 H+0 HETATM 63 H UNK 0 1.684 3.025 5.585 0.00 0.00 H+0 HETATM 64 H UNK 0 1.192 1.353 5.372 0.00 0.00 H+0 HETATM 65 H UNK 0 3.329 2.062 4.313 0.00 0.00 H+0 HETATM 66 H UNK 0 2.534 3.310 3.389 0.00 0.00 H+0 HETATM 67 H UNK 0 2.614 0.249 3.043 0.00 0.00 H+0 HETATM 68 H UNK 0 3.795 2.562 1.587 0.00 0.00 H+0 HETATM 69 H UNK 0 5.920 1.922 0.572 0.00 0.00 H+0 HETATM 70 H UNK 0 6.059 -1.039 0.267 0.00 0.00 H+0 HETATM 71 H UNK 0 7.225 -0.726 2.319 0.00 0.00 H+0 HETATM 72 H UNK 0 8.196 0.647 1.706 0.00 0.00 H+0 HETATM 73 H UNK 0 7.592 -2.971 1.523 0.00 0.00 H+0 HETATM 74 H UNK 0 9.298 -4.569 0.777 0.00 0.00 H+0 HETATM 75 H UNK 0 11.404 -3.814 -0.235 0.00 0.00 H+0 HETATM 76 H UNK 0 12.817 -1.069 0.004 0.00 0.00 H+0 HETATM 77 H UNK 0 10.116 0.229 0.237 0.00 0.00 H+0 HETATM 78 H UNK 0 8.756 -0.226 -2.315 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.406 0.449 2.889 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.507 0.599 -0.086 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.121 -1.362 -0.969 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.926 -3.055 1.460 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.328 -3.221 -2.226 0.00 0.00 H+0 HETATM 84 H UNK 0 -2.526 -2.894 -2.288 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.440 -5.222 -3.359 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.192 -4.503 -2.027 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.023 -6.560 -0.848 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.961 -4.918 -2.711 0.00 0.00 H+0 HETATM 89 H UNK 0 -6.851 -5.624 -1.346 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.737 -6.191 -3.519 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.109 -6.968 -3.967 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.175 -9.718 -1.639 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.289 2.630 0.830 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.679 2.915 2.555 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.367 1.214 2.998 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.808 1.557 2.054 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.135 0.216 0.556 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.977 1.395 -0.444 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.927 0.202 -1.216 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.807 4.299 -0.296 0.00 0.00 H+0 HETATM 101 H UNK 0 0.319 3.814 -0.978 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.216 2.602 -2.111 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.814 4.199 -3.418 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.927 5.362 -2.426 0.00 0.00 H+0 HETATM 105 H UNK 0 -4.203 4.504 -3.923 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.149 5.853 -3.598 0.00 0.00 H+0 HETATM 107 H UNK 0 -6.212 7.662 -1.950 0.00 0.00 H+0 HETATM 108 H UNK 0 -4.575 8.105 0.617 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.258 6.745 -0.803 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 CONECT 3 2 4 63 64 CONECT 4 3 5 65 66 CONECT 5 4 6 22 67 CONECT 6 5 7 68 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 69 CONECT 10 9 11 19 70 CONECT 11 10 12 71 72 CONECT 12 11 13 18 CONECT 13 12 14 73 CONECT 14 13 15 74 CONECT 15 14 16 75 CONECT 16 15 17 18 CONECT 17 16 76 CONECT 18 16 12 77 CONECT 19 10 20 21 CONECT 20 19 CONECT 21 19 78 CONECT 22 5 23 24 CONECT 23 22 CONECT 24 22 25 79 CONECT 25 24 26 44 80 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 81 CONECT 29 28 30 82 CONECT 30 29 31 43 CONECT 31 30 32 83 84 CONECT 32 31 33 34 85 CONECT 33 32 86 CONECT 34 32 35 43 87 CONECT 35 34 36 41 CONECT 36 35 37 88 89 CONECT 37 36 38 90 91 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 92 CONECT 41 40 42 35 CONECT 42 41 CONECT 43 34 30 CONECT 44 25 45 46 93 CONECT 45 44 94 95 96 CONECT 46 44 47 48 CONECT 47 46 97 98 99 CONECT 48 46 49 50 CONECT 49 48 CONECT 50 48 51 52 100 CONECT 51 50 101 102 CONECT 52 50 53 103 104 CONECT 53 52 54 59 CONECT 54 53 55 105 CONECT 55 54 56 106 CONECT 56 55 57 107 CONECT 57 56 58 59 CONECT 58 57 108 CONECT 59 57 53 109 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 3 CONECT 64 3 CONECT 65 4 CONECT 66 4 CONECT 67 5 CONECT 68 6 CONECT 69 9 CONECT 70 10 CONECT 71 11 CONECT 72 11 CONECT 73 13 CONECT 74 14 CONECT 75 15 CONECT 76 17 CONECT 77 18 CONECT 78 21 CONECT 79 24 CONECT 80 25 CONECT 81 28 CONECT 82 29 CONECT 83 31 CONECT 84 31 CONECT 85 32 CONECT 86 33 CONECT 87 34 CONECT 88 36 CONECT 89 36 CONECT 90 37 CONECT 91 37 CONECT 92 40 CONECT 93 44 CONECT 94 45 CONECT 95 45 CONECT 96 45 CONECT 97 47 CONECT 98 47 CONECT 99 47 CONECT 100 50 CONECT 101 51 CONECT 102 51 CONECT 103 52 CONECT 104 52 CONECT 105 54 CONECT 106 55 CONECT 107 56 CONECT 108 58 CONECT 109 59 MASTER 0 0 0 0 0 0 0 0 109 0 224 0 END